smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CC[NH+](CCCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000044158953 660082670 /nfs/dbraw/zinc/08/26/70/660082670.db2.gz LFEWZBPKWKOFNV-UHFFFAOYSA-N 2 1 371.551 -0.240 20 0 FBADMP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051956852 484208216 /nfs/dbraw/zinc/20/82/16/484208216.db2.gz SWZSPTVUMDEZTB-AWEZNQCLSA-N 2 1 356.467 -0.109 20 0 FBADMP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051956854 484207932 /nfs/dbraw/zinc/20/79/32/484207932.db2.gz SWZSPTVUMDEZTB-CQSZACIVSA-N 2 1 356.467 -0.109 20 0 FBADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694737 658940442 /nfs/dbraw/zinc/94/04/42/658940442.db2.gz DFAJNVGOWBAFES-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694737 658940439 /nfs/dbraw/zinc/94/04/39/658940439.db2.gz DFAJNVGOWBAFES-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694740 658940432 /nfs/dbraw/zinc/94/04/32/658940432.db2.gz DFAJNVGOWBAFES-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694740 658940429 /nfs/dbraw/zinc/94/04/29/658940429.db2.gz DFAJNVGOWBAFES-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3C(=O)CNC3=O)CC2)CC1 ZINC000066568210 484448765 /nfs/dbraw/zinc/44/87/65/484448765.db2.gz SOTIKUCZHIDKPL-UHFFFAOYSA-N 2 1 365.478 -0.196 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCS(N)(=O)=O)CC2)CC1 ZINC000066568258 484447811 /nfs/dbraw/zinc/44/78/11/484447811.db2.gz QOQGKKFNGDYBMQ-UHFFFAOYSA-N 2 1 360.524 -0.069 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)NC(N)=O)CC2)CC1 ZINC000066568314 484448420 /nfs/dbraw/zinc/44/84/20/484448420.db2.gz PZDJOUWANUSMFE-UHFFFAOYSA-N 2 1 353.467 -0.162 20 0 FBADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000069266122 483721870 /nfs/dbraw/zinc/72/18/70/483721870.db2.gz ZXTFIRJECJHUMC-INIZCTEOSA-N 2 1 363.462 -0.121 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069405155 484466806 /nfs/dbraw/zinc/46/68/06/484466806.db2.gz ZEUOPGBSJFKRLU-UHFFFAOYSA-N 2 1 357.499 -0.194 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069405155 484466802 /nfs/dbraw/zinc/46/68/02/484466802.db2.gz ZEUOPGBSJFKRLU-UHFFFAOYSA-N 2 1 357.499 -0.194 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069505611 484619629 /nfs/dbraw/zinc/61/96/29/484619629.db2.gz GXPDSXOBQYKEKB-UHFFFAOYSA-N 2 1 357.499 -0.241 20 0 FBADMP COCCC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073251450 484470838 /nfs/dbraw/zinc/47/08/38/484470838.db2.gz SNVRVFFHONHQCD-MRXNPFEDSA-N 2 1 354.495 -0.033 20 0 FBADMP COCCC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073251454 484471220 /nfs/dbraw/zinc/47/12/20/484471220.db2.gz SNVRVFFHONHQCD-INIZCTEOSA-N 2 1 354.495 -0.033 20 0 FBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073697691 484473236 /nfs/dbraw/zinc/47/32/36/484473236.db2.gz FTKHRLYFLJUWOX-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073697695 484472205 /nfs/dbraw/zinc/47/22/05/484472205.db2.gz FTKHRLYFLJUWOX-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000073729049 484473169 /nfs/dbraw/zinc/47/31/69/484473169.db2.gz YSRDKBFLZNMXJN-SJORKVTESA-N 2 1 365.522 -0.365 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000073729050 484472803 /nfs/dbraw/zinc/47/28/03/484472803.db2.gz YSRDKBFLZNMXJN-IAGOWNOFSA-N 2 1 365.522 -0.365 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000074188600 484721408 /nfs/dbraw/zinc/72/14/08/484721408.db2.gz RVSDNZADADJTOD-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000074188603 484721374 /nfs/dbraw/zinc/72/13/74/484721374.db2.gz RVSDNZADADJTOD-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074192995 484721436 /nfs/dbraw/zinc/72/14/36/484721436.db2.gz JURLDXPBDJFYKK-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074192997 484721076 /nfs/dbraw/zinc/72/10/76/484721076.db2.gz JURLDXPBDJFYKK-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074192999 484721870 /nfs/dbraw/zinc/72/18/70/484721870.db2.gz JURLDXPBDJFYKK-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074193004 484721490 /nfs/dbraw/zinc/72/14/90/484721490.db2.gz JURLDXPBDJFYKK-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363240 484472340 /nfs/dbraw/zinc/47/23/40/484472340.db2.gz IRPWNZKTOCVSNE-MRXNPFEDSA-N 2 1 353.511 -0.508 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363243 484472674 /nfs/dbraw/zinc/47/26/74/484472674.db2.gz IRPWNZKTOCVSNE-INIZCTEOSA-N 2 1 353.511 -0.508 20 0 FBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000074389856 484473415 /nfs/dbraw/zinc/47/34/15/484473415.db2.gz FEQJLUYSKJQVPR-MRXNPFEDSA-N 2 1 354.495 -0.034 20 0 FBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000074389858 484472032 /nfs/dbraw/zinc/47/20/32/484472032.db2.gz FEQJLUYSKJQVPR-INIZCTEOSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676254 483877221 /nfs/dbraw/zinc/87/72/21/483877221.db2.gz WATYIBAEANVLES-MRXNPFEDSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676254 483877220 /nfs/dbraw/zinc/87/72/20/483877220.db2.gz WATYIBAEANVLES-MRXNPFEDSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676257 483877038 /nfs/dbraw/zinc/87/70/38/483877038.db2.gz WATYIBAEANVLES-INIZCTEOSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676257 483877036 /nfs/dbraw/zinc/87/70/36/483877036.db2.gz WATYIBAEANVLES-INIZCTEOSA-N 2 1 367.538 -0.119 20 0 FBADMP CCC[N@@H+](CCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000076951586 484764879 /nfs/dbraw/zinc/76/48/79/484764879.db2.gz NNRSEKZOGCQRSS-UHFFFAOYSA-N 2 1 361.450 -0.284 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077595772 657416793 /nfs/dbraw/zinc/41/67/93/657416793.db2.gz QVFOJXJJBDWZEU-QGZVFWFLSA-N 2 1 353.511 -0.014 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000077775756 484778296 /nfs/dbraw/zinc/77/82/96/484778296.db2.gz MWFZOHGLDSQLAW-UHFFFAOYSA-N 3 1 356.515 -0.668 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(N)=O)nn1 ZINC000079886165 484817322 /nfs/dbraw/zinc/81/73/22/484817322.db2.gz TVBPACDXXXLINK-CYBMUJFWSA-N 2 1 351.455 -0.749 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(N)=O)nn1 ZINC000079886174 484817679 /nfs/dbraw/zinc/81/76/79/484817679.db2.gz TVBPACDXXXLINK-ZDUSSCGKSA-N 2 1 351.455 -0.749 20 0 FBADMP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)S(C)(=O)=O ZINC000080961464 484025309 /nfs/dbraw/zinc/02/53/09/484025309.db2.gz BXCGHAUTYWCJOE-ZDUSSCGKSA-N 2 1 357.480 -0.013 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000080961565 484025088 /nfs/dbraw/zinc/02/50/88/484025088.db2.gz XEGXBTQLQUUAJE-HNNXBMFYSA-N 2 1 362.478 -0.179 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000080961569 484024819 /nfs/dbraw/zinc/02/48/19/484024819.db2.gz XEGXBTQLQUUAJE-OAHLLOKOSA-N 2 1 362.478 -0.179 20 0 FBADMP Cc1cc(N2CCC([N@@H+](C)CC(=O)N3CCNC(=O)C3)CC2)nc(C)[nH+]1 ZINC000080967741 484023680 /nfs/dbraw/zinc/02/36/80/484023680.db2.gz XGEIMXCMYCHVOB-UHFFFAOYSA-N 2 1 360.462 -0.048 20 0 FBADMP Cc1cc(N2CCC([N@H+](C)CC(=O)N3CCNC(=O)C3)CC2)nc(C)[nH+]1 ZINC000080967741 484023675 /nfs/dbraw/zinc/02/36/75/484023675.db2.gz XGEIMXCMYCHVOB-UHFFFAOYSA-N 2 1 360.462 -0.048 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000081397021 484835033 /nfs/dbraw/zinc/83/50/33/484835033.db2.gz WFMZOTMFGKWWQX-QGZVFWFLSA-N 2 1 367.538 -0.214 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000081397022 484835188 /nfs/dbraw/zinc/83/51/88/484835188.db2.gz WFMZOTMFGKWWQX-KRWDZBQOSA-N 2 1 367.538 -0.214 20 0 FBADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)CN1CCOCC1 ZINC000083250170 484031627 /nfs/dbraw/zinc/03/16/27/484031627.db2.gz DTJXLRQOCGCZQJ-KRWDZBQOSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)CN1CCOCC1 ZINC000083250170 484031618 /nfs/dbraw/zinc/03/16/18/484031618.db2.gz DTJXLRQOCGCZQJ-KRWDZBQOSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)CN1CCOCC1 ZINC000083250171 484031946 /nfs/dbraw/zinc/03/19/46/484031946.db2.gz DTJXLRQOCGCZQJ-QGZVFWFLSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)CN1CCOCC1 ZINC000083250171 484031937 /nfs/dbraw/zinc/03/19/37/484031937.db2.gz DTJXLRQOCGCZQJ-QGZVFWFLSA-N 2 1 354.495 -0.646 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000083733564 484033333 /nfs/dbraw/zinc/03/33/33/484033333.db2.gz FOSSTHJXTFKXFO-ZDUSSCGKSA-N 2 1 365.482 -0.127 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000083733564 484033320 /nfs/dbraw/zinc/03/33/20/484033320.db2.gz FOSSTHJXTFKXFO-ZDUSSCGKSA-N 2 1 365.482 -0.127 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000083733565 484033442 /nfs/dbraw/zinc/03/34/42/484033442.db2.gz FOSSTHJXTFKXFO-CYBMUJFWSA-N 2 1 365.482 -0.127 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000083733565 484033437 /nfs/dbraw/zinc/03/34/37/484033437.db2.gz FOSSTHJXTFKXFO-CYBMUJFWSA-N 2 1 365.482 -0.127 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)CC1 ZINC000086168469 658664827 /nfs/dbraw/zinc/66/48/27/658664827.db2.gz UNNMZVDIOCNEIF-UHFFFAOYSA-N 2 1 356.511 -0.398 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)CCN2CCOCC2)CC1 ZINC000086168469 658664823 /nfs/dbraw/zinc/66/48/23/658664823.db2.gz UNNMZVDIOCNEIF-UHFFFAOYSA-N 2 1 356.511 -0.398 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000088305275 484035933 /nfs/dbraw/zinc/03/59/33/484035933.db2.gz VKUATOUVDFHCTO-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000088305276 484035704 /nfs/dbraw/zinc/03/57/04/484035704.db2.gz VKUATOUVDFHCTO-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092922843 484043048 /nfs/dbraw/zinc/04/30/48/484043048.db2.gz VHIQVESNCFQUPB-ZDUSSCGKSA-N 2 1 356.434 -0.013 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000103168789 484472195 /nfs/dbraw/zinc/47/21/95/484472195.db2.gz BQTGPBLQEPRYTR-FGTMMUONSA-N 2 1 368.522 -0.304 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000105317643 535552917 /nfs/dbraw/zinc/55/29/17/535552917.db2.gz IKMXXEWLGARCMD-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000105317650 243136889 /nfs/dbraw/zinc/13/68/89/243136889.db2.gz IKMXXEWLGARCMD-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386126 485176969 /nfs/dbraw/zinc/17/69/69/485176969.db2.gz LFRFVJCGQQZTHZ-KSZLIROESA-N 2 1 370.538 -0.058 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386128 485176569 /nfs/dbraw/zinc/17/65/69/485176569.db2.gz LFRFVJCGQQZTHZ-FGTMMUONSA-N 2 1 370.538 -0.058 20 0 FBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900523 484507053 /nfs/dbraw/zinc/50/70/53/484507053.db2.gz REQPZVVSQFTLRA-HOTGVXAUSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900523 484507049 /nfs/dbraw/zinc/50/70/49/484507049.db2.gz REQPZVVSQFTLRA-HOTGVXAUSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900523 484507039 /nfs/dbraw/zinc/50/70/39/484507039.db2.gz REQPZVVSQFTLRA-HOTGVXAUSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900524 484506573 /nfs/dbraw/zinc/50/65/73/484506573.db2.gz REQPZVVSQFTLRA-CVEARBPZSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900524 484506565 /nfs/dbraw/zinc/50/65/65/484506565.db2.gz REQPZVVSQFTLRA-CVEARBPZSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900524 484506545 /nfs/dbraw/zinc/50/65/45/484506545.db2.gz REQPZVVSQFTLRA-CVEARBPZSA-N 2 1 368.526 -0.491 20 0 FBADMP CNS(=O)(=O)CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241340 243151257 /nfs/dbraw/zinc/15/12/57/243151257.db2.gz HGZLMOFTUGZPFK-UHFFFAOYSA-N 2 1 360.524 -0.198 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000111269853 243157131 /nfs/dbraw/zinc/15/71/31/243157131.db2.gz FYKLGUAMKWIFQP-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000111269853 243157123 /nfs/dbraw/zinc/15/71/23/243157123.db2.gz FYKLGUAMKWIFQP-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000111269853 243157119 /nfs/dbraw/zinc/15/71/19/243157119.db2.gz FYKLGUAMKWIFQP-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000111269855 243154838 /nfs/dbraw/zinc/15/48/38/243154838.db2.gz FYKLGUAMKWIFQP-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000111269855 243154826 /nfs/dbraw/zinc/15/48/26/243154826.db2.gz FYKLGUAMKWIFQP-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000111269855 243154818 /nfs/dbraw/zinc/15/48/18/243154818.db2.gz FYKLGUAMKWIFQP-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CN2CC[NH+](C)CC2)c1 ZINC000111598272 484638813 /nfs/dbraw/zinc/63/88/13/484638813.db2.gz NLLYSNXJJJVSRT-UHFFFAOYSA-N 2 1 361.490 -0.158 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868200 243166024 /nfs/dbraw/zinc/16/60/24/243166024.db2.gz OGQOWNZLXINAAU-LBPRGKRZSA-N 2 1 365.478 -0.099 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868202 243163969 /nfs/dbraw/zinc/16/39/69/243163969.db2.gz OGQOWNZLXINAAU-GFCCVEGCSA-N 2 1 365.478 -0.099 20 0 FBADMP Cn1c(N)c(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000118868581 243162788 /nfs/dbraw/zinc/16/27/88/243162788.db2.gz UKGSWOVQBHIVSJ-UHFFFAOYSA-N 2 1 351.451 -0.487 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000121298180 243164461 /nfs/dbraw/zinc/16/44/61/243164461.db2.gz AVEMGCWHCSXKDS-KRWDZBQOSA-N 2 1 366.506 -0.154 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000121298353 243165877 /nfs/dbraw/zinc/16/58/77/243165877.db2.gz AVEMGCWHCSXKDS-QGZVFWFLSA-N 2 1 366.506 -0.154 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000121299833 243162718 /nfs/dbraw/zinc/16/27/18/243162718.db2.gz ILBPBHCHAJDKDZ-SFHVURJKSA-N 2 1 368.522 -0.444 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000121299980 243165127 /nfs/dbraw/zinc/16/51/27/243165127.db2.gz ILBPBHCHAJDKDZ-GOSISDBHSA-N 2 1 368.522 -0.444 20 0 FBADMP CCn1c(N)c(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000121630126 485249146 /nfs/dbraw/zinc/24/91/46/485249146.db2.gz DUIZPZIVHDFEBZ-UHFFFAOYSA-N 2 1 351.451 -0.015 20 0 FBADMP Cn1c(N)c(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000123645847 243169868 /nfs/dbraw/zinc/16/98/68/243169868.db2.gz CZKIYKGNXOAVRI-UHFFFAOYSA-N 2 1 365.478 -0.097 20 0 FBADMP C[C@H]1C[C@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000123897157 484518762 /nfs/dbraw/zinc/51/87/62/484518762.db2.gz TZOSGWMBIJWRET-JKSUJKDBSA-N 2 1 353.511 -0.367 20 0 FBADMP C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000123897430 484519303 /nfs/dbraw/zinc/51/93/03/484519303.db2.gz TZOSGWMBIJWRET-CVEARBPZSA-N 2 1 353.511 -0.367 20 0 FBADMP C[C@H]1C[C@@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000123897658 484518582 /nfs/dbraw/zinc/51/85/82/484518582.db2.gz TZOSGWMBIJWRET-HOTGVXAUSA-N 2 1 353.511 -0.367 20 0 FBADMP CN1CCCN(C(=O)[C@@]2(CC(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523617 /nfs/dbraw/zinc/52/36/17/484523617.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 2 1 365.522 -0.316 20 0 FBADMP CN1CCCN(C(=O)[C@@]2(CC(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523614 /nfs/dbraw/zinc/52/36/14/484523614.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 2 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523609 /nfs/dbraw/zinc/52/36/09/484523609.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 3 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523605 /nfs/dbraw/zinc/52/36/05/484523605.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 3 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)[C@@]2(CC(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523599 /nfs/dbraw/zinc/52/35/99/484523599.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 3 1 365.522 -0.316 20 0 FBADMP CN1CCCN(C(=O)[C@]2(CC(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523167 /nfs/dbraw/zinc/52/31/67/484523167.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 2 1 365.522 -0.316 20 0 FBADMP CN1CCCN(C(=O)[C@]2(CC(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523163 /nfs/dbraw/zinc/52/31/63/484523163.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 2 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523160 /nfs/dbraw/zinc/52/31/60/484523160.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 3 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523158 /nfs/dbraw/zinc/52/31/58/484523158.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 3 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCCN(C(=O)[C@]2(CC(=O)N3CCC[N@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523156 /nfs/dbraw/zinc/52/31/56/484523156.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 3 1 365.522 -0.316 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560328 484524995 /nfs/dbraw/zinc/52/49/95/484524995.db2.gz LXNRIHQUYLINMX-CQSZACIVSA-N 2 1 351.451 -0.589 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560592 484524494 /nfs/dbraw/zinc/52/44/94/484524494.db2.gz LXNRIHQUYLINMX-AWEZNQCLSA-N 2 1 351.451 -0.589 20 0 FBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000129791499 661572882 /nfs/dbraw/zinc/57/28/82/661572882.db2.gz CTPUIZVNNQDRDW-UHFFFAOYSA-N 2 1 354.495 -0.079 20 0 FBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000130543298 484662455 /nfs/dbraw/zinc/66/24/55/484662455.db2.gz GLPVCJGRJCMZHI-UHFFFAOYSA-N 2 1 364.494 -0.254 20 0 FBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000130543298 484662450 /nfs/dbraw/zinc/66/24/50/484662450.db2.gz GLPVCJGRJCMZHI-UHFFFAOYSA-N 2 1 364.494 -0.254 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1=O ZINC000131965094 535882017 /nfs/dbraw/zinc/88/20/17/535882017.db2.gz ZYIXIJSXPROVFQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1=O ZINC000131965094 535882011 /nfs/dbraw/zinc/88/20/11/535882011.db2.gz ZYIXIJSXPROVFQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1=O ZINC000131965535 535881470 /nfs/dbraw/zinc/88/14/70/535881470.db2.gz ZYIXIJSXPROVFQ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1=O ZINC000131965535 535881466 /nfs/dbraw/zinc/88/14/66/535881466.db2.gz ZYIXIJSXPROVFQ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000134361396 484763926 /nfs/dbraw/zinc/76/39/26/484763926.db2.gz BCSBRLSRFRRDGO-GOSISDBHSA-N 2 1 364.494 -0.599 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000134361415 484763040 /nfs/dbraw/zinc/76/30/40/484763040.db2.gz BCSBRLSRFRRDGO-SFHVURJKSA-N 2 1 364.494 -0.599 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243182029 /nfs/dbraw/zinc/18/20/29/243182029.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243182021 /nfs/dbraw/zinc/18/20/21/243182021.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243182016 /nfs/dbraw/zinc/18/20/16/243182016.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243182012 /nfs/dbraw/zinc/18/20/12/243182012.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243182008 /nfs/dbraw/zinc/18/20/08/243182008.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183657 /nfs/dbraw/zinc/18/36/57/243183657.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183654 /nfs/dbraw/zinc/18/36/54/243183654.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183651 /nfs/dbraw/zinc/18/36/51/243183651.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183649 /nfs/dbraw/zinc/18/36/49/243183649.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183647 /nfs/dbraw/zinc/18/36/47/243183647.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000150805336 243182583 /nfs/dbraw/zinc/18/25/83/243182583.db2.gz QWKBVEKQIDWVMT-CQSZACIVSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000150805336 243182579 /nfs/dbraw/zinc/18/25/79/243182579.db2.gz QWKBVEKQIDWVMT-CQSZACIVSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000150805363 243181425 /nfs/dbraw/zinc/18/14/25/243181425.db2.gz QWKBVEKQIDWVMT-AWEZNQCLSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000150805363 243181420 /nfs/dbraw/zinc/18/14/20/243181420.db2.gz QWKBVEKQIDWVMT-AWEZNQCLSA-N 2 1 360.462 -0.149 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000151585630 484001335 /nfs/dbraw/zinc/00/13/35/484001335.db2.gz FKBAGWXMYWHERV-IRXDYDNUSA-N 2 1 362.474 -0.278 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000151585630 484001326 /nfs/dbraw/zinc/00/13/26/484001326.db2.gz FKBAGWXMYWHERV-IRXDYDNUSA-N 2 1 362.474 -0.278 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000151585709 484002211 /nfs/dbraw/zinc/00/22/11/484002211.db2.gz FKBAGWXMYWHERV-DLBZAZTESA-N 2 1 362.474 -0.278 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000151585709 484002205 /nfs/dbraw/zinc/00/22/05/484002205.db2.gz FKBAGWXMYWHERV-DLBZAZTESA-N 2 1 362.474 -0.278 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O ZINC000152633352 535554337 /nfs/dbraw/zinc/55/43/37/535554337.db2.gz HSCLUMRWLDKTHY-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CN(CCN1CCOCC1)CC1(C[N@@H+](C)CCN2CCOCC2)COC1 ZINC000157995370 485279110 /nfs/dbraw/zinc/27/91/10/485279110.db2.gz DBEAZRYWCFDTAO-UHFFFAOYSA-N 2 1 370.538 -0.469 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000158763066 484306718 /nfs/dbraw/zinc/30/67/18/484306718.db2.gz FPIBBDMPDZYXCO-IAGOWNOFSA-N 2 1 365.522 -0.269 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000158763230 484307201 /nfs/dbraw/zinc/30/72/01/484307201.db2.gz FPIBBDMPDZYXCO-SJORKVTESA-N 2 1 365.522 -0.269 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000162000038 484206434 /nfs/dbraw/zinc/20/64/34/484206434.db2.gz UNPSXSHLNPLZDA-UHFFFAOYSA-N 2 1 358.512 -0.732 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000162337011 243201255 /nfs/dbraw/zinc/20/12/55/243201255.db2.gz IWMMXZQRMFQOLL-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000162337126 243202091 /nfs/dbraw/zinc/20/20/91/243202091.db2.gz IWMMXZQRMFQOLL-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000167818688 243204824 /nfs/dbraw/zinc/20/48/24/243204824.db2.gz GDNGUCDDRUTZIS-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000167818806 243204995 /nfs/dbraw/zinc/20/49/95/243204995.db2.gz GDNGUCDDRUTZIS-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000171153032 535118502 /nfs/dbraw/zinc/11/85/02/535118502.db2.gz VRNQGOFABMFGKP-QGZVFWFLSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000171153037 535110472 /nfs/dbraw/zinc/11/04/72/535110472.db2.gz VRNQGOFABMFGKP-KRWDZBQOSA-N 2 1 370.538 -0.152 20 0 FBADMP Cn1cc(N2CC[C@H]([NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)C2=O)cn1 ZINC000171923188 484071457 /nfs/dbraw/zinc/07/14/57/484071457.db2.gz HKLWVTLIMNSHDU-INIZCTEOSA-N 2 1 362.478 -0.085 20 0 FBADMP Cn1cc(N2CC[C@@H]([NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)C2=O)cn1 ZINC000171923194 484071493 /nfs/dbraw/zinc/07/14/93/484071493.db2.gz HKLWVTLIMNSHDU-MRXNPFEDSA-N 2 1 362.478 -0.085 20 0 FBADMP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000174136771 243216052 /nfs/dbraw/zinc/21/60/52/243216052.db2.gz FQOFKZYGSPUYCN-ZWKOTPCHSA-N 2 1 370.538 -0.152 20 0 FBADMP CC[C@H](CO)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000174136785 243218298 /nfs/dbraw/zinc/21/82/98/243218298.db2.gz FQOFKZYGSPUYCN-QZTJIDSGSA-N 2 1 370.538 -0.152 20 0 FBADMP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000174136798 243218440 /nfs/dbraw/zinc/21/84/40/243218440.db2.gz FQOFKZYGSPUYCN-ROUUACIJSA-N 2 1 370.538 -0.152 20 0 FBADMP CC[C@H](CO)[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000174136813 243218549 /nfs/dbraw/zinc/21/85/49/243218549.db2.gz FQOFKZYGSPUYCN-MSOLQXFVSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000174724283 243216317 /nfs/dbraw/zinc/21/63/17/243216317.db2.gz HMXBTLPVZNAETC-INIZCTEOSA-N 2 1 353.511 -0.365 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000174724294 243218770 /nfs/dbraw/zinc/21/87/70/243218770.db2.gz HMXBTLPVZNAETC-MRXNPFEDSA-N 2 1 353.511 -0.365 20 0 FBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000174724566 484048221 /nfs/dbraw/zinc/04/82/21/484048221.db2.gz DLLCPAPOXJWZTF-UHFFFAOYSA-N 2 1 365.522 -0.364 20 0 FBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000174728851 484048117 /nfs/dbraw/zinc/04/81/17/484048117.db2.gz RCCRGGJFSGKNEX-UHFFFAOYSA-N 2 1 353.389 -0.056 20 0 FBADMP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)CN1CC[NH+](C)CC1 ZINC000174824909 484203942 /nfs/dbraw/zinc/20/39/42/484203942.db2.gz YKXBLRLGYARKBV-INIZCTEOSA-N 2 1 355.527 -0.127 20 0 FBADMP C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)CN1CC[NH+](C)CC1 ZINC000174824921 484203990 /nfs/dbraw/zinc/20/39/90/484203990.db2.gz YKXBLRLGYARKBV-MRXNPFEDSA-N 2 1 355.527 -0.127 20 0 FBADMP C[NH+](C)C1CCN(CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000175601625 484055258 /nfs/dbraw/zinc/05/52/58/484055258.db2.gz JFJSOIPWAILMCC-UHFFFAOYSA-N 3 1 368.526 -0.524 20 0 FBADMP O=C1NC[C@@H]2C[N@@H+](CCCCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877996 243221207 /nfs/dbraw/zinc/22/12/07/243221207.db2.gz ILALCDZQRDEVDA-GASCZTMLSA-N 2 1 350.467 -0.425 20 0 FBADMP O=C1NC[C@@H]2C[N@H+](CCCCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877996 243221203 /nfs/dbraw/zinc/22/12/03/243221203.db2.gz ILALCDZQRDEVDA-GASCZTMLSA-N 2 1 350.467 -0.425 20 0 FBADMP O=C1NC[C@@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877996 243221200 /nfs/dbraw/zinc/22/12/00/243221200.db2.gz ILALCDZQRDEVDA-GASCZTMLSA-N 2 1 350.467 -0.425 20 0 FBADMP O=C1NC[C@@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175878004 243221493 /nfs/dbraw/zinc/22/14/93/243221493.db2.gz ILALCDZQRDEVDA-HUUCEWRRSA-N 2 1 350.467 -0.425 20 0 FBADMP O=C1NC[C@@H]2C[N@@H+](CCCCCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175925583 243220933 /nfs/dbraw/zinc/22/09/33/243220933.db2.gz CCBICUYVAVAUNQ-IYBDPMFKSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C1NC[C@@H]2C[N@H+](CCCCCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175925583 243220931 /nfs/dbraw/zinc/22/09/31/243220931.db2.gz CCBICUYVAVAUNQ-IYBDPMFKSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C1NC[C@@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175925583 243220927 /nfs/dbraw/zinc/22/09/27/243220927.db2.gz CCBICUYVAVAUNQ-IYBDPMFKSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C1NC[C@@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175925603 243222453 /nfs/dbraw/zinc/22/24/53/243222453.db2.gz CCBICUYVAVAUNQ-HZPDHXFCSA-N 2 1 364.494 -0.034 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000177362730 484329427 /nfs/dbraw/zinc/32/94/27/484329427.db2.gz WCJHZEQGEPYWBZ-KRWDZBQOSA-N 2 1 356.511 -0.400 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000177362730 484329423 /nfs/dbraw/zinc/32/94/23/484329423.db2.gz WCJHZEQGEPYWBZ-KRWDZBQOSA-N 2 1 356.511 -0.400 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000177362750 484329228 /nfs/dbraw/zinc/32/92/28/484329228.db2.gz WCJHZEQGEPYWBZ-QGZVFWFLSA-N 2 1 356.511 -0.400 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000177362750 484329221 /nfs/dbraw/zinc/32/92/21/484329221.db2.gz WCJHZEQGEPYWBZ-QGZVFWFLSA-N 2 1 356.511 -0.400 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234771 /nfs/dbraw/zinc/23/47/71/484234771.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234768 /nfs/dbraw/zinc/23/47/68/484234768.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234765 /nfs/dbraw/zinc/23/47/65/484234765.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699699 484234222 /nfs/dbraw/zinc/23/42/22/484234222.db2.gz HERBDIVBSRRIBY-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178738874 243227707 /nfs/dbraw/zinc/22/77/07/243227707.db2.gz CHFKGOJJTFEJQI-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178738874 243227699 /nfs/dbraw/zinc/22/76/99/243227699.db2.gz CHFKGOJJTFEJQI-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178738881 535638949 /nfs/dbraw/zinc/63/89/49/535638949.db2.gz CHFKGOJJTFEJQI-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178738881 535638947 /nfs/dbraw/zinc/63/89/47/535638947.db2.gz CHFKGOJJTFEJQI-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178738890 243225462 /nfs/dbraw/zinc/22/54/62/243225462.db2.gz CHFKGOJJTFEJQI-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178738890 243225452 /nfs/dbraw/zinc/22/54/52/243225452.db2.gz CHFKGOJJTFEJQI-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178738906 535638431 /nfs/dbraw/zinc/63/84/31/535638431.db2.gz CHFKGOJJTFEJQI-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178738906 535638425 /nfs/dbraw/zinc/63/84/25/535638425.db2.gz CHFKGOJJTFEJQI-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP COC1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000178872796 536529630 /nfs/dbraw/zinc/52/96/30/536529630.db2.gz KTLFUUJKFRYQAO-UHFFFAOYSA-N 2 1 362.478 -0.127 20 0 FBADMP NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)o1 ZINC000178959142 243231351 /nfs/dbraw/zinc/23/13/51/243231351.db2.gz LBCCVJJJNBCUKK-UHFFFAOYSA-N 2 1 356.448 -0.316 20 0 FBADMP COC(=O)Cn1cc(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000180965084 484212515 /nfs/dbraw/zinc/21/25/15/484212515.db2.gz IOVUBBPQZMUCHC-UHFFFAOYSA-N 2 1 352.483 -0.049 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](C(=O)NC)C3)COC2)C1 ZINC000182163037 243233569 /nfs/dbraw/zinc/23/35/69/243233569.db2.gz MWMRPOWLYVLMFJ-IYBDPMFKSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](C(=O)NC)C3)COC2)C1 ZINC000182163037 243233565 /nfs/dbraw/zinc/23/35/65/243233565.db2.gz MWMRPOWLYVLMFJ-IYBDPMFKSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C(=O)NC)C3)COC2)C1 ZINC000182163056 484264715 /nfs/dbraw/zinc/26/47/15/484264715.db2.gz MWMRPOWLYVLMFJ-HOTGVXAUSA-N 2 1 366.506 -0.081 20 0 FBADMP COC(=O)CCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182613252 484502436 /nfs/dbraw/zinc/50/24/36/484502436.db2.gz LDFOHLGXAFBKLK-XYPWUTKMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCCN1CCCC1=O ZINC000182962637 484287468 /nfs/dbraw/zinc/28/74/68/484287468.db2.gz IZRFIZMTZINJOZ-UHFFFAOYSA-N 2 1 353.511 -0.316 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000183919372 243240324 /nfs/dbraw/zinc/24/03/24/243240324.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000183919372 243240318 /nfs/dbraw/zinc/24/03/18/243240318.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000183919372 243240315 /nfs/dbraw/zinc/24/03/15/243240315.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000183919391 243237739 /nfs/dbraw/zinc/23/77/39/243237739.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000183919391 243237733 /nfs/dbraw/zinc/23/77/33/243237733.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000183919391 243237728 /nfs/dbraw/zinc/23/77/28/243237728.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1=O ZINC000184169673 484290862 /nfs/dbraw/zinc/29/08/62/484290862.db2.gz NEGXLNAXRYEYSV-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1=O ZINC000184169694 484289156 /nfs/dbraw/zinc/28/91/56/484289156.db2.gz NEGXLNAXRYEYSV-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP OCC[NH+]1CCCN(c2cc(N3CCC[N@H+](CCO)CC3)ncn2)CC1 ZINC000185358888 243244538 /nfs/dbraw/zinc/24/45/38/243244538.db2.gz YCENAWQNFALFDP-UHFFFAOYSA-N 2 1 364.494 -0.515 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000186842058 535553507 /nfs/dbraw/zinc/55/35/07/535553507.db2.gz FWLCHNLVHUGKSV-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000186842058 535553505 /nfs/dbraw/zinc/55/35/05/535553505.db2.gz FWLCHNLVHUGKSV-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000186842081 243244366 /nfs/dbraw/zinc/24/43/66/243244366.db2.gz FWLCHNLVHUGKSV-ZACQAIPSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000186842081 243244358 /nfs/dbraw/zinc/24/43/58/243244358.db2.gz FWLCHNLVHUGKSV-ZACQAIPSSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186973747 483842510 /nfs/dbraw/zinc/84/25/10/483842510.db2.gz YSXDUUDZBWCKFY-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186973763 483842700 /nfs/dbraw/zinc/84/27/00/483842700.db2.gz YSXDUUDZBWCKFY-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187104663 243249184 /nfs/dbraw/zinc/24/91/84/243249184.db2.gz NHMQOGJJXCSVMN-UHFFFAOYSA-N 2 1 364.494 -0.053 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187114563 243246472 /nfs/dbraw/zinc/24/64/72/243246472.db2.gz DSTCCCCIHSEGIZ-UHFFFAOYSA-N 2 1 364.494 -0.053 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000187233626 243246580 /nfs/dbraw/zinc/24/65/80/243246580.db2.gz SZPAFVNEXCAMKQ-UHFFFAOYSA-N 2 1 364.494 -0.053 20 0 FBADMP C[C@H]1CN(CC(=O)N2CCN(Cc3ccco3)CC2)CC[N@H+]1CCO ZINC000187698872 483868928 /nfs/dbraw/zinc/86/89/28/483868928.db2.gz UKDZEPLBDZUTQG-INIZCTEOSA-N 2 1 350.463 -0.078 20 0 FBADMP C[C@H]1CN(CC(=O)N2CCN(Cc3ccco3)CC2)CC[N@@H+]1CCO ZINC000187698872 483868926 /nfs/dbraw/zinc/86/89/26/483868926.db2.gz UKDZEPLBDZUTQG-INIZCTEOSA-N 2 1 350.463 -0.078 20 0 FBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000187943355 243247138 /nfs/dbraw/zinc/24/71/38/243247138.db2.gz IZUOBYDDUMLGLT-DLBZAZTESA-N 2 1 360.458 -0.176 20 0 FBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000187982855 484367284 /nfs/dbraw/zinc/36/72/84/484367284.db2.gz YBEMOYASPSXHDC-GVDBMIGSSA-N 2 1 354.495 -0.383 20 0 FBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000187982884 484367584 /nfs/dbraw/zinc/36/75/84/484367584.db2.gz YBEMOYASPSXHDC-YESZJQIVSA-N 2 1 354.495 -0.383 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1=O ZINC000188703524 535551893 /nfs/dbraw/zinc/55/18/93/535551893.db2.gz LEXFRSXXPBYFNJ-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1=O ZINC000188703524 535551886 /nfs/dbraw/zinc/55/18/86/535551886.db2.gz LEXFRSXXPBYFNJ-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC1=O ZINC000188703524 535551883 /nfs/dbraw/zinc/55/18/83/535551883.db2.gz LEXFRSXXPBYFNJ-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC1=O ZINC000188703524 535551880 /nfs/dbraw/zinc/55/18/80/535551880.db2.gz LEXFRSXXPBYFNJ-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000188743265 484002279 /nfs/dbraw/zinc/00/22/79/484002279.db2.gz ARMGAHVJXXXKRE-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000188743287 484002966 /nfs/dbraw/zinc/00/29/66/484002966.db2.gz ARMGAHVJXXXKRE-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188795799 243249002 /nfs/dbraw/zinc/24/90/02/243249002.db2.gz CZMZDNRWPKSIJA-UHFFFAOYSA-N 2 1 370.461 -0.213 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)O1 ZINC000189493829 484362902 /nfs/dbraw/zinc/36/29/02/484362902.db2.gz SPRVPHOWSZQVRH-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000189493829 484362896 /nfs/dbraw/zinc/36/28/96/484362896.db2.gz SPRVPHOWSZQVRH-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000189493829 484362893 /nfs/dbraw/zinc/36/28/93/484362893.db2.gz SPRVPHOWSZQVRH-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000189684231 535554431 /nfs/dbraw/zinc/55/44/31/535554431.db2.gz FWLCHNLVHUGKSV-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000189684231 535554423 /nfs/dbraw/zinc/55/44/23/535554423.db2.gz FWLCHNLVHUGKSV-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000189684253 243251088 /nfs/dbraw/zinc/25/10/88/243251088.db2.gz FWLCHNLVHUGKSV-BBWFWOEESA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000189684253 243251080 /nfs/dbraw/zinc/25/10/80/243251080.db2.gz FWLCHNLVHUGKSV-BBWFWOEESA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189734748 536369844 /nfs/dbraw/zinc/36/98/44/536369844.db2.gz METIICMBDNVIML-OAHLLOKOSA-N 2 1 358.508 -0.350 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189734765 243254091 /nfs/dbraw/zinc/25/40/91/243254091.db2.gz METIICMBDNVIML-HNNXBMFYSA-N 2 1 358.508 -0.350 20 0 FBADMP CCS(=O)(=O)N1CC(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000190282065 658998466 /nfs/dbraw/zinc/99/84/66/658998466.db2.gz PEWMZZKFKFEWEU-UHFFFAOYSA-N 2 1 368.507 -0.401 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000192687647 484318316 /nfs/dbraw/zinc/31/83/16/484318316.db2.gz LRZXTWAEYLFQRP-UHFFFAOYSA-N 2 1 373.523 -0.250 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000192687647 484318312 /nfs/dbraw/zinc/31/83/12/484318312.db2.gz LRZXTWAEYLFQRP-UHFFFAOYSA-N 2 1 373.523 -0.250 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000192825157 535117835 /nfs/dbraw/zinc/11/78/35/535117835.db2.gz QCZIIOLASDYVBD-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000192825157 535117831 /nfs/dbraw/zinc/11/78/31/535117831.db2.gz QCZIIOLASDYVBD-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000192825157 535117828 /nfs/dbraw/zinc/11/78/28/535117828.db2.gz QCZIIOLASDYVBD-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000192825169 535119080 /nfs/dbraw/zinc/11/90/80/535119080.db2.gz QCZIIOLASDYVBD-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000192825169 535119077 /nfs/dbraw/zinc/11/90/77/535119077.db2.gz QCZIIOLASDYVBD-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000192825169 535119072 /nfs/dbraw/zinc/11/90/72/535119072.db2.gz QCZIIOLASDYVBD-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)N(CCCNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000193639729 243258474 /nfs/dbraw/zinc/25/84/74/243258474.db2.gz BNWTYOWMMCVGKA-GASCZTMLSA-N 2 1 360.524 -0.344 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707155 535677217 /nfs/dbraw/zinc/67/72/17/535677217.db2.gz OXIUAVMDIZUNMF-MRXNPFEDSA-N 2 1 353.511 -0.140 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707169 535676130 /nfs/dbraw/zinc/67/61/30/535676130.db2.gz OXIUAVMDIZUNMF-INIZCTEOSA-N 2 1 353.511 -0.140 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000236832748 243260314 /nfs/dbraw/zinc/26/03/14/243260314.db2.gz FKRLLCDLJOIQTN-JKSUJKDBSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000236839143 243260452 /nfs/dbraw/zinc/26/04/52/243260452.db2.gz FKRLLCDLJOIQTN-HOTGVXAUSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000237014079 243262506 /nfs/dbraw/zinc/26/25/06/243262506.db2.gz GBJATTMCNSNXOT-JYJNAYRXSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000237014079 243262497 /nfs/dbraw/zinc/26/24/97/243262497.db2.gz GBJATTMCNSNXOT-JYJNAYRXSA-N 2 1 352.479 -0.186 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)CN2CCNCC2=O)[C@@H](c2ccccc2)C1 ZINC000237202361 483955237 /nfs/dbraw/zinc/95/52/37/483955237.db2.gz BNOBMRHIJHSYLL-GOSISDBHSA-N 2 1 373.501 -0.087 20 0 FBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237897452 243263092 /nfs/dbraw/zinc/26/30/92/243263092.db2.gz WXIVHQZOFMTHBO-INIZCTEOSA-N 2 1 362.478 -0.127 20 0 FBADMP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237928837 243264128 /nfs/dbraw/zinc/26/41/28/243264128.db2.gz WXIVHQZOFMTHBO-MRXNPFEDSA-N 2 1 362.478 -0.127 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000246389716 243270243 /nfs/dbraw/zinc/27/02/43/243270243.db2.gz IKMXXEWLGARCMD-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000246389726 243271646 /nfs/dbraw/zinc/27/16/46/243271646.db2.gz IKMXXEWLGARCMD-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000246411361 484950093 /nfs/dbraw/zinc/95/00/93/484950093.db2.gz RVSDNZADADJTOD-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000246411376 484950435 /nfs/dbraw/zinc/95/04/35/484950435.db2.gz RVSDNZADADJTOD-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP O=C1NC[C@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246424276 243270366 /nfs/dbraw/zinc/27/03/66/243270366.db2.gz CCBICUYVAVAUNQ-HOTGVXAUSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C1NC[C@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246491929 243269684 /nfs/dbraw/zinc/26/96/84/243269684.db2.gz ILALCDZQRDEVDA-GJZGRUSLSA-N 2 1 350.467 -0.425 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O ZINC000246502990 243269732 /nfs/dbraw/zinc/26/97/32/243269732.db2.gz HSCLUMRWLDKTHY-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O ZINC000246503002 243269720 /nfs/dbraw/zinc/26/97/20/243269720.db2.gz HSCLUMRWLDKTHY-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O ZINC000246503017 535554251 /nfs/dbraw/zinc/55/42/51/535554251.db2.gz HSCLUMRWLDKTHY-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000246672303 484963980 /nfs/dbraw/zinc/96/39/80/484963980.db2.gz FPIBBDMPDZYXCO-DLBZAZTESA-N 2 1 365.522 -0.269 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000246672324 484963246 /nfs/dbraw/zinc/96/32/46/484963246.db2.gz FPIBBDMPDZYXCO-IRXDYDNUSA-N 2 1 365.522 -0.269 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246933105 484967904 /nfs/dbraw/zinc/96/79/04/484967904.db2.gz HERBDIVBSRRIBY-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338016 243270004 /nfs/dbraw/zinc/27/00/04/243270004.db2.gz XJOOCZWBYCZARE-KBPBESRZSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338016 243269996 /nfs/dbraw/zinc/26/99/96/243269996.db2.gz XJOOCZWBYCZARE-KBPBESRZSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338016 243269989 /nfs/dbraw/zinc/26/99/89/243269989.db2.gz XJOOCZWBYCZARE-KBPBESRZSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338016 243269984 /nfs/dbraw/zinc/26/99/84/243269984.db2.gz XJOOCZWBYCZARE-KBPBESRZSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338026 243269786 /nfs/dbraw/zinc/26/97/86/243269786.db2.gz XJOOCZWBYCZARE-UONOGXRCSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338026 243269784 /nfs/dbraw/zinc/26/97/84/243269784.db2.gz XJOOCZWBYCZARE-UONOGXRCSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338026 243269780 /nfs/dbraw/zinc/26/97/80/243269780.db2.gz XJOOCZWBYCZARE-UONOGXRCSA-N 2 1 360.462 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2c(=O)n(C)c1=O ZINC000247338026 243269774 /nfs/dbraw/zinc/26/97/74/243269774.db2.gz XJOOCZWBYCZARE-UONOGXRCSA-N 2 1 360.462 -0.150 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000247483605 243270742 /nfs/dbraw/zinc/27/07/42/243270742.db2.gz FYKLGUAMKWIFQP-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247483605 243270735 /nfs/dbraw/zinc/27/07/35/243270735.db2.gz FYKLGUAMKWIFQP-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247483605 243270729 /nfs/dbraw/zinc/27/07/29/243270729.db2.gz FYKLGUAMKWIFQP-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000247483616 243273384 /nfs/dbraw/zinc/27/33/84/243273384.db2.gz FYKLGUAMKWIFQP-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247483616 243273376 /nfs/dbraw/zinc/27/33/76/243273376.db2.gz FYKLGUAMKWIFQP-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247483616 243273368 /nfs/dbraw/zinc/27/33/68/243273368.db2.gz FYKLGUAMKWIFQP-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C(=O)NC)C3)COC2)C1 ZINC000248423031 484553789 /nfs/dbraw/zinc/55/37/89/484553789.db2.gz MWMRPOWLYVLMFJ-HZPDHXFCSA-N 2 1 366.506 -0.081 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000248634174 243277004 /nfs/dbraw/zinc/27/70/04/243277004.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000248634174 243276992 /nfs/dbraw/zinc/27/69/92/243276992.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000248634174 243276989 /nfs/dbraw/zinc/27/69/89/243276989.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000248634181 243277367 /nfs/dbraw/zinc/27/73/67/243277367.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000248634181 243277362 /nfs/dbraw/zinc/27/73/62/243277362.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000248634181 243277356 /nfs/dbraw/zinc/27/73/56/243277356.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000249292597 535116734 /nfs/dbraw/zinc/11/67/34/535116734.db2.gz QCZIIOLASDYVBD-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000249292597 535116729 /nfs/dbraw/zinc/11/67/29/535116729.db2.gz QCZIIOLASDYVBD-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000249292597 535116724 /nfs/dbraw/zinc/11/67/24/535116724.db2.gz QCZIIOLASDYVBD-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000249292601 535118909 /nfs/dbraw/zinc/11/89/09/535118909.db2.gz QCZIIOLASDYVBD-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000249292601 535118905 /nfs/dbraw/zinc/11/89/05/535118905.db2.gz QCZIIOLASDYVBD-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000249292601 535118900 /nfs/dbraw/zinc/11/89/00/535118900.db2.gz QCZIIOLASDYVBD-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000249293087 484990450 /nfs/dbraw/zinc/99/04/50/484990450.db2.gz ARMGAHVJXXXKRE-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000249293089 484989981 /nfs/dbraw/zinc/98/99/81/484989981.db2.gz ARMGAHVJXXXKRE-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000249319392 243274370 /nfs/dbraw/zinc/27/43/70/243274370.db2.gz FWLCHNLVHUGKSV-IKGGRYGDSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000249319392 243274366 /nfs/dbraw/zinc/27/43/66/243274366.db2.gz FWLCHNLVHUGKSV-IKGGRYGDSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000249319399 243276204 /nfs/dbraw/zinc/27/62/04/243276204.db2.gz FWLCHNLVHUGKSV-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1=O ZINC000249319399 243276195 /nfs/dbraw/zinc/27/61/95/243276195.db2.gz FWLCHNLVHUGKSV-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000249428570 484991031 /nfs/dbraw/zinc/99/10/31/484991031.db2.gz YSXDUUDZBWCKFY-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000249428572 484991685 /nfs/dbraw/zinc/99/16/85/484991685.db2.gz YSXDUUDZBWCKFY-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)O1 ZINC000249584996 484768894 /nfs/dbraw/zinc/76/88/94/484768894.db2.gz SPRVPHOWSZQVRH-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)O1 ZINC000249584996 484768889 /nfs/dbraw/zinc/76/88/89/484768889.db2.gz SPRVPHOWSZQVRH-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)O1 ZINC000249584996 484768883 /nfs/dbraw/zinc/76/88/83/484768883.db2.gz SPRVPHOWSZQVRH-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000249839917 243276251 /nfs/dbraw/zinc/27/62/51/243276251.db2.gz FWLCHNLVHUGKSV-ULQDDVLXSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000249839917 243276245 /nfs/dbraw/zinc/27/62/45/243276245.db2.gz FWLCHNLVHUGKSV-ULQDDVLXSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000249839921 243276440 /nfs/dbraw/zinc/27/64/40/243276440.db2.gz FWLCHNLVHUGKSV-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1=O ZINC000249839921 243276437 /nfs/dbraw/zinc/27/64/37/243276437.db2.gz FWLCHNLVHUGKSV-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1=O ZINC000249979504 535551820 /nfs/dbraw/zinc/55/18/20/535551820.db2.gz LEXFRSXXPBYFNJ-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1=O ZINC000249979504 535551818 /nfs/dbraw/zinc/55/18/18/535551818.db2.gz LEXFRSXXPBYFNJ-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000249979504 535551813 /nfs/dbraw/zinc/55/18/13/535551813.db2.gz LEXFRSXXPBYFNJ-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000249979504 535551810 /nfs/dbraw/zinc/55/18/10/535551810.db2.gz LEXFRSXXPBYFNJ-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1=O ZINC000249979510 243276756 /nfs/dbraw/zinc/27/67/56/243276756.db2.gz LEXFRSXXPBYFNJ-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1=O ZINC000249979510 243276750 /nfs/dbraw/zinc/27/67/50/243276750.db2.gz LEXFRSXXPBYFNJ-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC1=O ZINC000249979510 243276746 /nfs/dbraw/zinc/27/67/46/243276746.db2.gz LEXFRSXXPBYFNJ-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC1=O ZINC000249979510 243276739 /nfs/dbraw/zinc/27/67/39/243276739.db2.gz LEXFRSXXPBYFNJ-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1=O ZINC000249979516 243276377 /nfs/dbraw/zinc/27/63/77/243276377.db2.gz LEXFRSXXPBYFNJ-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1=O ZINC000249979516 243276375 /nfs/dbraw/zinc/27/63/75/243276375.db2.gz LEXFRSXXPBYFNJ-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000249979516 243276372 /nfs/dbraw/zinc/27/63/72/243276372.db2.gz LEXFRSXXPBYFNJ-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000249979516 243276366 /nfs/dbraw/zinc/27/63/66/243276366.db2.gz LEXFRSXXPBYFNJ-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP NS(=O)(=O)c1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261639990 243281897 /nfs/dbraw/zinc/28/18/97/243281897.db2.gz IGVRWTQPLGZFHN-AWEZNQCLSA-N 2 1 354.476 -0.308 20 0 FBADMP NS(=O)(=O)c1ccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261639992 243279671 /nfs/dbraw/zinc/27/96/71/243279671.db2.gz IGVRWTQPLGZFHN-CQSZACIVSA-N 2 1 354.476 -0.308 20 0 FBADMP Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646557 243279977 /nfs/dbraw/zinc/27/99/77/243279977.db2.gz AALCBSSQCPIQPM-DZGCQCFKSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646560 243281616 /nfs/dbraw/zinc/28/16/16/243281616.db2.gz AALCBSSQCPIQPM-HIFRSBDPSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646564 243280575 /nfs/dbraw/zinc/28/05/75/243280575.db2.gz AALCBSSQCPIQPM-UKRRQHHQSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646568 243279242 /nfs/dbraw/zinc/27/92/42/243279242.db2.gz AALCBSSQCPIQPM-ZFWWWQNUSA-N 2 1 363.462 -0.836 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261657136 243281178 /nfs/dbraw/zinc/28/11/78/243281178.db2.gz AVRBWYJNKICXPR-IPYPFGDCSA-N 2 1 365.478 -0.057 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261657139 243281072 /nfs/dbraw/zinc/28/10/72/243281072.db2.gz AVRBWYJNKICXPR-NFAWXSAZSA-N 2 1 365.478 -0.057 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261657142 243281518 /nfs/dbraw/zinc/28/15/18/243281518.db2.gz AVRBWYJNKICXPR-UMVBOHGHSA-N 2 1 365.478 -0.057 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261657145 243279395 /nfs/dbraw/zinc/27/93/95/243279395.db2.gz AVRBWYJNKICXPR-VNHYZAJKSA-N 2 1 365.478 -0.057 20 0 FBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674524 243279726 /nfs/dbraw/zinc/27/97/26/243279726.db2.gz MBZTZGXKWARUNH-CYBMUJFWSA-N 2 1 370.475 -0.500 20 0 FBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674526 243281106 /nfs/dbraw/zinc/28/11/06/243281106.db2.gz MBZTZGXKWARUNH-ZDUSSCGKSA-N 2 1 370.475 -0.500 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758349 243282234 /nfs/dbraw/zinc/28/22/34/243282234.db2.gz FREXDOZCVYWXBB-CVEARBPZSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758350 243283579 /nfs/dbraw/zinc/28/35/79/243283579.db2.gz FREXDOZCVYWXBB-HOTGVXAUSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758351 243284579 /nfs/dbraw/zinc/28/45/79/243284579.db2.gz FREXDOZCVYWXBB-HZPDHXFCSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758352 243284814 /nfs/dbraw/zinc/28/48/14/243284814.db2.gz FREXDOZCVYWXBB-JKSUJKDBSA-N 2 1 352.479 -0.185 20 0 FBADMP CCN1CC[NH+](CCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261760650 535682059 /nfs/dbraw/zinc/68/20/59/535682059.db2.gz FWJIOLOPWHXRFO-AWEZNQCLSA-N 2 1 365.444 -0.034 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762979 243283747 /nfs/dbraw/zinc/28/37/47/243283747.db2.gz GBJATTMCNSNXOT-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762979 243283741 /nfs/dbraw/zinc/28/37/41/243283741.db2.gz GBJATTMCNSNXOT-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261762981 243282878 /nfs/dbraw/zinc/28/28/78/243282878.db2.gz GBJATTMCNSNXOT-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261762981 243282874 /nfs/dbraw/zinc/28/28/74/243282874.db2.gz GBJATTMCNSNXOT-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762983 243283194 /nfs/dbraw/zinc/28/31/94/243283194.db2.gz GBJATTMCNSNXOT-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762983 243283188 /nfs/dbraw/zinc/28/31/88/243283188.db2.gz GBJATTMCNSNXOT-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000261794951 243286674 /nfs/dbraw/zinc/28/66/74/243286674.db2.gz NTUWWYJTWUYIPR-SJORKVTESA-N 2 1 360.458 -0.047 20 0 FBADMP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000261825716 243285828 /nfs/dbraw/zinc/28/58/28/243285828.db2.gz HQZAWOWSEIBCIA-UHFFFAOYSA-N 2 1 356.448 -0.924 20 0 FBADMP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000261825716 243285824 /nfs/dbraw/zinc/28/58/24/243285824.db2.gz HQZAWOWSEIBCIA-UHFFFAOYSA-N 2 1 356.448 -0.924 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829350 534980740 /nfs/dbraw/zinc/98/07/40/534980740.db2.gz KUTQIPBVMKLRAT-KBPBESRZSA-N 2 1 365.478 -0.103 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829351 534980426 /nfs/dbraw/zinc/98/04/26/534980426.db2.gz KUTQIPBVMKLRAT-KGLIPLIRSA-N 2 1 365.478 -0.103 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829353 534979727 /nfs/dbraw/zinc/97/97/27/534979727.db2.gz KUTQIPBVMKLRAT-UONOGXRCSA-N 2 1 365.478 -0.103 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829355 534980588 /nfs/dbraw/zinc/98/05/88/534980588.db2.gz KUTQIPBVMKLRAT-ZIAGYGMSSA-N 2 1 365.478 -0.103 20 0 FBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@]1(C(=O)N2CCN(C)C[C@@H]2C)CC[NH2+]C1 ZINC000261868201 243289827 /nfs/dbraw/zinc/28/98/27/243289827.db2.gz RYUHDNNDDKIGMU-GJYPPUQNSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@]1(C(=O)N2CCN(C)C[C@@H]2C)CC[NH2+]C1 ZINC000261868201 243289822 /nfs/dbraw/zinc/28/98/22/243289822.db2.gz RYUHDNNDDKIGMU-GJYPPUQNSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C)CCN1C(=O)[C@@]1(CC(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261868202 243288728 /nfs/dbraw/zinc/28/87/28/243288728.db2.gz RYUHDNNDDKIGMU-GPMSIDNRSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C)CCN1C(=O)[C@@]1(CC(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261868202 243288724 /nfs/dbraw/zinc/28/87/24/243288724.db2.gz RYUHDNNDDKIGMU-GPMSIDNRSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@]1(C(=O)N2CCN(C)C[C@@H]2C)CC[NH2+]C1 ZINC000261868203 243289714 /nfs/dbraw/zinc/28/97/14/243289714.db2.gz RYUHDNNDDKIGMU-JTDSTZFVSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@]1(C(=O)N2CCN(C)C[C@@H]2C)CC[NH2+]C1 ZINC000261868203 243289711 /nfs/dbraw/zinc/28/97/11/243289711.db2.gz RYUHDNNDDKIGMU-JTDSTZFVSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C)CCN1C(=O)[C@]1(CC(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261868204 243288549 /nfs/dbraw/zinc/28/85/49/243288549.db2.gz RYUHDNNDDKIGMU-MDZRGWNJSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C)CCN1C(=O)[C@]1(CC(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261868204 243288545 /nfs/dbraw/zinc/28/85/45/243288545.db2.gz RYUHDNNDDKIGMU-MDZRGWNJSA-N 2 1 365.522 -0.319 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C1 ZINC000261883641 535213209 /nfs/dbraw/zinc/21/32/09/535213209.db2.gz UVMIFQVHVULXGK-IKGGRYGDSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C1 ZINC000261883644 243288684 /nfs/dbraw/zinc/28/86/84/243288684.db2.gz UVMIFQVHVULXGK-ZACQAIPSSA-N 2 1 354.495 -0.254 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261893484 243290054 /nfs/dbraw/zinc/29/00/54/243290054.db2.gz AOJPJVLYPGQIML-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261893486 243289694 /nfs/dbraw/zinc/28/96/94/243289694.db2.gz AOJPJVLYPGQIML-IHRRRGAJSA-N 2 1 353.467 -0.199 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261893488 243289232 /nfs/dbraw/zinc/28/92/32/243289232.db2.gz AOJPJVLYPGQIML-MELADBBJSA-N 2 1 353.467 -0.199 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261893491 243288864 /nfs/dbraw/zinc/28/88/64/243288864.db2.gz AOJPJVLYPGQIML-MJBXVCDLSA-N 2 1 353.467 -0.199 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)CC1 ZINC000261915965 243288850 /nfs/dbraw/zinc/28/88/50/243288850.db2.gz YDEKJPMDRUNWMD-CVEARBPZSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921045 243288377 /nfs/dbraw/zinc/28/83/77/243288377.db2.gz UXDJHTRPVNIYJY-KKUMJFAQSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921045 243288366 /nfs/dbraw/zinc/28/83/66/243288366.db2.gz UXDJHTRPVNIYJY-KKUMJFAQSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921047 243288480 /nfs/dbraw/zinc/28/84/80/243288480.db2.gz UXDJHTRPVNIYJY-RRFJBIMHSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921047 243288473 /nfs/dbraw/zinc/28/84/73/243288473.db2.gz UXDJHTRPVNIYJY-RRFJBIMHSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921049 243289205 /nfs/dbraw/zinc/28/92/05/243289205.db2.gz UXDJHTRPVNIYJY-SOUVJXGZSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921049 243289201 /nfs/dbraw/zinc/28/92/01/243289201.db2.gz UXDJHTRPVNIYJY-SOUVJXGZSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921051 243288993 /nfs/dbraw/zinc/28/89/93/243288993.db2.gz UXDJHTRPVNIYJY-ZNMIVQPWSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(=O)N(C)C ZINC000261921051 243288991 /nfs/dbraw/zinc/28/89/91/243288991.db2.gz UXDJHTRPVNIYJY-ZNMIVQPWSA-N 2 1 367.494 -0.841 20 0 FBADMP O=C(CN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000262001787 243291679 /nfs/dbraw/zinc/29/16/79/243291679.db2.gz DNLCUJGWFXPXGC-UHFFFAOYSA-N 2 1 351.495 -0.562 20 0 FBADMP O=C(C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000262031241 243294763 /nfs/dbraw/zinc/29/47/63/243294763.db2.gz GXPQWCZJBOARLT-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1)N1CCCC1 ZINC000262031242 243293381 /nfs/dbraw/zinc/29/33/81/243293381.db2.gz GXPQWCZJBOARLT-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP Cc1cc(NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)no1 ZINC000262057559 243295941 /nfs/dbraw/zinc/29/59/41/243295941.db2.gz IVJUXDFSXAPYDC-UHFFFAOYSA-N 2 1 364.450 -0.639 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262077902 243296387 /nfs/dbraw/zinc/29/63/87/243296387.db2.gz KJZOSKARWJFQOX-UHFFFAOYSA-N 3 1 365.522 -0.316 20 0 FBADMP C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000262092839 243297068 /nfs/dbraw/zinc/29/70/68/243297068.db2.gz DFJJAMSSCONHOD-QAPCUYQASA-N 2 1 360.458 -0.176 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101239 536372042 /nfs/dbraw/zinc/37/20/42/536372042.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101239 536372038 /nfs/dbraw/zinc/37/20/38/536372038.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101239 536372034 /nfs/dbraw/zinc/37/20/34/536372034.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101250 243297359 /nfs/dbraw/zinc/29/73/59/243297359.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101250 243297354 /nfs/dbraw/zinc/29/73/54/243297354.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101250 243297349 /nfs/dbraw/zinc/29/73/49/243297349.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 3 1 365.522 -0.223 20 0 FBADMP CCN(CC)C(=O)CN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262117282 243296710 /nfs/dbraw/zinc/29/67/10/243296710.db2.gz NBGPUWTUVHHTAQ-UHFFFAOYSA-N 2 1 353.511 -0.316 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262121659 243299358 /nfs/dbraw/zinc/29/93/58/243299358.db2.gz FZGXLSMVNJNHFT-UHFFFAOYSA-N 2 1 362.478 -0.416 20 0 FBADMP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262146668 243300458 /nfs/dbraw/zinc/30/04/58/243300458.db2.gz OYEAYQGZDAYULQ-KRWDZBQOSA-N 2 1 365.522 -0.173 20 0 FBADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262146670 243300110 /nfs/dbraw/zinc/30/01/10/243300110.db2.gz OYEAYQGZDAYULQ-QGZVFWFLSA-N 2 1 365.522 -0.173 20 0 FBADMP O=C(CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1)N1CC[NH2+]CC1 ZINC000262158527 243300973 /nfs/dbraw/zinc/30/09/73/243300973.db2.gz PRHVNQCPRLAKHP-UHFFFAOYSA-N 2 1 365.522 -0.172 20 0 FBADMP O=C(CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)NCc1ccccc1 ZINC000262187750 243302575 /nfs/dbraw/zinc/30/25/75/243302575.db2.gz RLTGVDNYPOJAQZ-UHFFFAOYSA-N 2 1 373.501 -0.258 20 0 FBADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200005 243302022 /nfs/dbraw/zinc/30/20/22/243302022.db2.gz KGLRZRWAOZMCDR-GXTWGEPZSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200005 243302012 /nfs/dbraw/zinc/30/20/12/243302012.db2.gz KGLRZRWAOZMCDR-GXTWGEPZSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200007 243303995 /nfs/dbraw/zinc/30/39/95/243303995.db2.gz KGLRZRWAOZMCDR-JSGCOSHPSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200007 243303990 /nfs/dbraw/zinc/30/39/90/243303990.db2.gz KGLRZRWAOZMCDR-JSGCOSHPSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200009 243302371 /nfs/dbraw/zinc/30/23/71/243302371.db2.gz KGLRZRWAOZMCDR-OCCSQVGLSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200009 243302368 /nfs/dbraw/zinc/30/23/68/243302368.db2.gz KGLRZRWAOZMCDR-OCCSQVGLSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200011 243302704 /nfs/dbraw/zinc/30/27/04/243302704.db2.gz KGLRZRWAOZMCDR-TZMCWYRMSA-N 2 1 351.451 -0.445 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000262200011 243302696 /nfs/dbraw/zinc/30/26/96/243302696.db2.gz KGLRZRWAOZMCDR-TZMCWYRMSA-N 2 1 351.451 -0.445 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262206612 243303217 /nfs/dbraw/zinc/30/32/17/243303217.db2.gz LAJUHPRZKRPWBP-KBPBESRZSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262206612 243303211 /nfs/dbraw/zinc/30/32/11/243303211.db2.gz LAJUHPRZKRPWBP-KBPBESRZSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262206614 243303770 /nfs/dbraw/zinc/30/37/70/243303770.db2.gz LAJUHPRZKRPWBP-KGLIPLIRSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262206614 243303759 /nfs/dbraw/zinc/30/37/59/243303759.db2.gz LAJUHPRZKRPWBP-KGLIPLIRSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262206617 243302330 /nfs/dbraw/zinc/30/23/30/243302330.db2.gz LAJUHPRZKRPWBP-UONOGXRCSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262206617 243302326 /nfs/dbraw/zinc/30/23/26/243302326.db2.gz LAJUHPRZKRPWBP-UONOGXRCSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262206619 243303555 /nfs/dbraw/zinc/30/35/55/243303555.db2.gz LAJUHPRZKRPWBP-ZIAGYGMSSA-N 2 1 353.467 -0.198 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262206619 243303548 /nfs/dbraw/zinc/30/35/48/243303548.db2.gz LAJUHPRZKRPWBP-ZIAGYGMSSA-N 2 1 353.467 -0.198 20 0 FBADMP O=C(CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)NC1CCCCC1 ZINC000262211925 243303696 /nfs/dbraw/zinc/30/36/96/243303696.db2.gz TVWTYTUJSRDPDI-UHFFFAOYSA-N 2 1 365.522 -0.125 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)N1CC[NH2+]CC1 ZINC000262229358 243304836 /nfs/dbraw/zinc/30/48/36/243304836.db2.gz VEOSBCXOAXGVGX-UHFFFAOYSA-N 2 1 374.441 -0.005 20 0 FBADMP O=C(CC[NH+]1CCN(CC(=O)N2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000262257397 243305285 /nfs/dbraw/zinc/30/52/85/243305285.db2.gz XHLGZTZJNBVLKL-UHFFFAOYSA-N 2 1 351.495 -0.562 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])C2)cc(OC)c1 ZINC000262355715 243313429 /nfs/dbraw/zinc/31/34/29/243313429.db2.gz FVVCBLDEZNAUOS-CYBMUJFWSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])C2)cc(OC)c1 ZINC000262355715 243313424 /nfs/dbraw/zinc/31/34/24/243313424.db2.gz FVVCBLDEZNAUOS-CYBMUJFWSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CNC(=O)C[NH3+])C2)cc(OC)c1 ZINC000262355717 536769522 /nfs/dbraw/zinc/76/95/22/536769522.db2.gz FVVCBLDEZNAUOS-ZDUSSCGKSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(=O)C[NH3+])C2)cc(OC)c1 ZINC000262355717 536769521 /nfs/dbraw/zinc/76/95/21/536769521.db2.gz FVVCBLDEZNAUOS-ZDUSSCGKSA-N 2 1 350.419 -0.531 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000262357403 243313002 /nfs/dbraw/zinc/31/30/02/243313002.db2.gz GDHSRLQLIGGOHY-HNNXBMFYSA-N 2 1 361.446 -0.134 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000262357407 243313251 /nfs/dbraw/zinc/31/32/51/243313251.db2.gz GDHSRLQLIGGOHY-OAHLLOKOSA-N 2 1 361.446 -0.134 20 0 FBADMP [NH3+]CC(=O)NCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000262388232 243315922 /nfs/dbraw/zinc/31/59/22/243315922.db2.gz LSJOMDXHLRQTSW-UHFFFAOYSA-N 2 1 359.430 -0.013 20 0 FBADMP O=C(C[C@H]1COCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000262475176 243319051 /nfs/dbraw/zinc/31/90/51/243319051.db2.gz YUBGVFCAOOENOZ-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(C[C@@H]1COCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000262475177 243318718 /nfs/dbraw/zinc/31/87/18/243318718.db2.gz YUBGVFCAOOENOZ-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000262500850 243320759 /nfs/dbraw/zinc/32/07/59/243320759.db2.gz BKOSEVZTFBNQFC-AWEZNQCLSA-N 2 1 356.448 -0.417 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000262500850 243320756 /nfs/dbraw/zinc/32/07/56/243320756.db2.gz BKOSEVZTFBNQFC-AWEZNQCLSA-N 2 1 356.448 -0.417 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000262500853 243320784 /nfs/dbraw/zinc/32/07/84/243320784.db2.gz BKOSEVZTFBNQFC-CQSZACIVSA-N 2 1 356.448 -0.417 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000262500853 243320779 /nfs/dbraw/zinc/32/07/79/243320779.db2.gz BKOSEVZTFBNQFC-CQSZACIVSA-N 2 1 356.448 -0.417 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000262503532 243320698 /nfs/dbraw/zinc/32/06/98/243320698.db2.gz FKRLLCDLJOIQTN-CVEARBPZSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000262503533 535552756 /nfs/dbraw/zinc/55/27/56/535552756.db2.gz FKRLLCDLJOIQTN-HZPDHXFCSA-N 2 1 351.495 -0.659 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCO3)c2)C1 ZINC000262645751 243328793 /nfs/dbraw/zinc/32/87/93/243328793.db2.gz NSXBNFZBZXPWJB-DLBZAZTESA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCO3)c2)C1 ZINC000262645753 243327798 /nfs/dbraw/zinc/32/77/98/243327798.db2.gz NSXBNFZBZXPWJB-IAGOWNOFSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000262645755 243328482 /nfs/dbraw/zinc/32/84/82/243328482.db2.gz NSXBNFZBZXPWJB-IRXDYDNUSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000262645758 243327328 /nfs/dbraw/zinc/32/73/28/243327328.db2.gz NSXBNFZBZXPWJB-SJORKVTESA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000262655763 243332692 /nfs/dbraw/zinc/33/26/92/243332692.db2.gz UJMCSPLLRXZTEG-DLBZAZTESA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000262655763 243332682 /nfs/dbraw/zinc/33/26/82/243332682.db2.gz UJMCSPLLRXZTEG-DLBZAZTESA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000262655765 243330466 /nfs/dbraw/zinc/33/04/66/243330466.db2.gz UJMCSPLLRXZTEG-IAGOWNOFSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000262655765 243330462 /nfs/dbraw/zinc/33/04/62/243330462.db2.gz UJMCSPLLRXZTEG-IAGOWNOFSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262655767 243332567 /nfs/dbraw/zinc/33/25/67/243332567.db2.gz UJMCSPLLRXZTEG-IRXDYDNUSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262655767 243332562 /nfs/dbraw/zinc/33/25/62/243332562.db2.gz UJMCSPLLRXZTEG-IRXDYDNUSA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262655768 243333058 /nfs/dbraw/zinc/33/30/58/243333058.db2.gz UJMCSPLLRXZTEG-SJORKVTESA-N 2 1 360.458 -0.012 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262655768 243333050 /nfs/dbraw/zinc/33/30/50/243333050.db2.gz UJMCSPLLRXZTEG-SJORKVTESA-N 2 1 360.458 -0.012 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263248167 243349807 /nfs/dbraw/zinc/34/98/07/243349807.db2.gz NWGQEUDQCRPBCO-INIZCTEOSA-N 2 1 355.483 -0.807 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000263265942 243350430 /nfs/dbraw/zinc/35/04/30/243350430.db2.gz VCAFASVFQZFAAM-HNNXBMFYSA-N 2 1 363.466 -0.709 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000263852311 243364049 /nfs/dbraw/zinc/36/40/49/243364049.db2.gz ZCBOYUXHPJFTFS-CYBMUJFWSA-N 2 1 351.451 -0.026 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000263852315 535594170 /nfs/dbraw/zinc/59/41/70/535594170.db2.gz ZCBOYUXHPJFTFS-ZDUSSCGKSA-N 2 1 351.451 -0.026 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266816730 484426042 /nfs/dbraw/zinc/42/60/42/484426042.db2.gz HBNCPDYYFNVBNK-KRWDZBQOSA-N 2 1 360.506 -0.044 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266816733 484425570 /nfs/dbraw/zinc/42/55/70/484425570.db2.gz HBNCPDYYFNVBNK-QGZVFWFLSA-N 2 1 360.506 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000266834274 484427508 /nfs/dbraw/zinc/42/75/08/484427508.db2.gz MWSMMOKIJGWEDF-LLVKDONJSA-N 2 1 352.439 -0.042 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000266834277 484427780 /nfs/dbraw/zinc/42/77/80/484427780.db2.gz MWSMMOKIJGWEDF-NSHDSACASA-N 2 1 352.439 -0.042 20 0 FBADMP O=C(C[C@H]1C[NH2+]CCO1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269257704 483453213 /nfs/dbraw/zinc/45/32/13/483453213.db2.gz ULDSLQXBMIWHMF-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(C[C@@H]1C[NH2+]CCO1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269257707 483452994 /nfs/dbraw/zinc/45/29/94/483452994.db2.gz ULDSLQXBMIWHMF-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000269689537 483476187 /nfs/dbraw/zinc/47/61/87/483476187.db2.gz JWMOLOKGISUMCL-AWEZNQCLSA-N 2 1 363.462 -0.522 20 0 FBADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000269689541 483475968 /nfs/dbraw/zinc/47/59/68/483475968.db2.gz JWMOLOKGISUMCL-CQSZACIVSA-N 2 1 363.462 -0.522 20 0 FBADMP NC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000269744204 483478977 /nfs/dbraw/zinc/47/89/77/483478977.db2.gz WXYMKQUSEWOMCE-HNNXBMFYSA-N 2 1 352.410 -0.012 20 0 FBADMP NC(=O)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000269744206 483479216 /nfs/dbraw/zinc/47/92/16/483479216.db2.gz WXYMKQUSEWOMCE-OAHLLOKOSA-N 2 1 352.410 -0.012 20 0 FBADMP Cn1cc([C@H](CNC(=O)[C@H]2CCC[NH+]2C)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000269776497 483482834 /nfs/dbraw/zinc/48/28/34/483482834.db2.gz DQRGPYGIBULDGP-ARFHVFGLSA-N 2 1 362.478 -0.118 20 0 FBADMP Cn1cc([C@H](CNC(=O)[C@H]2CCC[NH+]2C)NC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000269776497 483482829 /nfs/dbraw/zinc/48/28/29/483482829.db2.gz DQRGPYGIBULDGP-ARFHVFGLSA-N 2 1 362.478 -0.118 20 0 FBADMP Cn1cc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C)NC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC000269776497 483482820 /nfs/dbraw/zinc/48/28/20/483482820.db2.gz DQRGPYGIBULDGP-ARFHVFGLSA-N 2 1 362.478 -0.118 20 0 FBADMP Cn1cc([C@@H](CNC(=O)[C@H]2CCC[NH+]2C)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000269776500 483482788 /nfs/dbraw/zinc/48/27/88/483482788.db2.gz DQRGPYGIBULDGP-BZUAXINKSA-N 2 1 362.478 -0.118 20 0 FBADMP Cn1cc([C@@H](CNC(=O)[C@H]2CCC[NH+]2C)NC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000269776500 483482784 /nfs/dbraw/zinc/48/27/84/483482784.db2.gz DQRGPYGIBULDGP-BZUAXINKSA-N 2 1 362.478 -0.118 20 0 FBADMP Cn1cc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)NC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC000269776500 483482778 /nfs/dbraw/zinc/48/27/78/483482778.db2.gz DQRGPYGIBULDGP-BZUAXINKSA-N 2 1 362.478 -0.118 20 0 FBADMP CC[N@@H+](CCCC1CC[NH+](CC(=O)NC(N)=O)CC1)CC(=O)NC(N)=O ZINC000270880465 483524488 /nfs/dbraw/zinc/52/44/88/483524488.db2.gz OTRUIWQEGTXZIF-UHFFFAOYSA-N 2 1 370.454 -0.810 20 0 FBADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000271015091 483531216 /nfs/dbraw/zinc/53/12/16/483531216.db2.gz MYQCGLRXOKPTDI-UHFFFAOYSA-N 2 1 359.434 -0.039 20 0 FBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000271015091 483531213 /nfs/dbraw/zinc/53/12/13/483531213.db2.gz MYQCGLRXOKPTDI-UHFFFAOYSA-N 2 1 359.434 -0.039 20 0 FBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000271038290 483532722 /nfs/dbraw/zinc/53/27/22/483532722.db2.gz SHRQBZDTGROQNK-UHFFFAOYSA-N 2 1 359.496 -0.089 20 0 FBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000271038290 483532715 /nfs/dbraw/zinc/53/27/15/483532715.db2.gz SHRQBZDTGROQNK-UHFFFAOYSA-N 2 1 359.496 -0.089 20 0 FBADMP CNC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000272956933 483606449 /nfs/dbraw/zinc/60/64/49/483606449.db2.gz ZMPZKDILJDSZJM-HNNXBMFYSA-N 2 1 361.446 -0.433 20 0 FBADMP CNC(=O)[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000272956933 483606444 /nfs/dbraw/zinc/60/64/44/483606444.db2.gz ZMPZKDILJDSZJM-HNNXBMFYSA-N 2 1 361.446 -0.433 20 0 FBADMP CNC(=O)[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000272956937 483606348 /nfs/dbraw/zinc/60/63/48/483606348.db2.gz ZMPZKDILJDSZJM-OAHLLOKOSA-N 2 1 361.446 -0.433 20 0 FBADMP CNC(=O)[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000272956937 483606341 /nfs/dbraw/zinc/60/63/41/483606341.db2.gz ZMPZKDILJDSZJM-OAHLLOKOSA-N 2 1 361.446 -0.433 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000274491362 483648925 /nfs/dbraw/zinc/64/89/25/483648925.db2.gz STDPPBIXXGTCCM-UHFFFAOYSA-N 2 1 366.462 -0.004 20 0 FBADMP Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000275191904 483668900 /nfs/dbraw/zinc/66/89/00/483668900.db2.gz DGHIHWSSKIQSFF-UHFFFAOYSA-N 2 1 372.477 -0.351 20 0 FBADMP CC(C)NS(=O)(=O)NCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000276939974 244093728 /nfs/dbraw/zinc/09/37/28/244093728.db2.gz AISOBNWTMVHYBY-UHFFFAOYSA-N 2 1 371.511 -0.850 20 0 FBADMP O=C(COCC(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000279943732 483683840 /nfs/dbraw/zinc/68/38/40/483683840.db2.gz HVQMPZVUHNYOKG-UHFFFAOYSA-N 2 1 350.463 -0.241 20 0 FBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000282647838 244268433 /nfs/dbraw/zinc/26/84/33/244268433.db2.gz CEDUONJWQJAFOS-HNNXBMFYSA-N 2 1 372.477 -0.201 20 0 FBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000282647838 244268428 /nfs/dbraw/zinc/26/84/28/244268428.db2.gz CEDUONJWQJAFOS-HNNXBMFYSA-N 2 1 372.477 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000282647842 244267033 /nfs/dbraw/zinc/26/70/33/244267033.db2.gz CEDUONJWQJAFOS-OAHLLOKOSA-N 2 1 372.477 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000282647842 244267026 /nfs/dbraw/zinc/26/70/26/244267026.db2.gz CEDUONJWQJAFOS-OAHLLOKOSA-N 2 1 372.477 -0.201 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCn1ccnc1 ZINC000283154294 244284495 /nfs/dbraw/zinc/28/44/95/244284495.db2.gz FNKZAEOQECUPFV-AWEZNQCLSA-N 2 1 351.451 -0.307 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCn1ccnc1 ZINC000283154298 244285902 /nfs/dbraw/zinc/28/59/02/244285902.db2.gz FNKZAEOQECUPFV-CQSZACIVSA-N 2 1 351.451 -0.307 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283262498 244291585 /nfs/dbraw/zinc/29/15/85/244291585.db2.gz BWBUFCIGPYGZSQ-MSOLQXFVSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283262498 244291577 /nfs/dbraw/zinc/29/15/77/244291577.db2.gz BWBUFCIGPYGZSQ-MSOLQXFVSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283262498 244291571 /nfs/dbraw/zinc/29/15/71/244291571.db2.gz BWBUFCIGPYGZSQ-MSOLQXFVSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283262501 244292738 /nfs/dbraw/zinc/29/27/38/244292738.db2.gz BWBUFCIGPYGZSQ-QZTJIDSGSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283262501 244292732 /nfs/dbraw/zinc/29/27/32/244292732.db2.gz BWBUFCIGPYGZSQ-QZTJIDSGSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283262501 244292726 /nfs/dbraw/zinc/29/27/26/244292726.db2.gz BWBUFCIGPYGZSQ-QZTJIDSGSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283262504 244292673 /nfs/dbraw/zinc/29/26/73/244292673.db2.gz BWBUFCIGPYGZSQ-ROUUACIJSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283262504 244292666 /nfs/dbraw/zinc/29/26/66/244292666.db2.gz BWBUFCIGPYGZSQ-ROUUACIJSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283262504 244292658 /nfs/dbraw/zinc/29/26/58/244292658.db2.gz BWBUFCIGPYGZSQ-ROUUACIJSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283262508 244291953 /nfs/dbraw/zinc/29/19/53/244291953.db2.gz BWBUFCIGPYGZSQ-ZWKOTPCHSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283262508 244291950 /nfs/dbraw/zinc/29/19/50/244291950.db2.gz BWBUFCIGPYGZSQ-ZWKOTPCHSA-N 2 1 373.501 -0.261 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283262508 244291941 /nfs/dbraw/zinc/29/19/41/244291941.db2.gz BWBUFCIGPYGZSQ-ZWKOTPCHSA-N 2 1 373.501 -0.261 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCC1 ZINC000283795219 244318776 /nfs/dbraw/zinc/31/87/76/244318776.db2.gz GGBBGLKQJNUAFQ-CYBMUJFWSA-N 2 1 350.467 -0.050 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCC1 ZINC000283795225 244320183 /nfs/dbraw/zinc/32/01/83/244320183.db2.gz GGBBGLKQJNUAFQ-ZDUSSCGKSA-N 2 1 350.467 -0.050 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000283835400 536783414 /nfs/dbraw/zinc/78/34/14/536783414.db2.gz CUSMCYKASRYRNA-UHFFFAOYSA-N 2 1 354.455 -0.813 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000283835400 536783407 /nfs/dbraw/zinc/78/34/07/536783407.db2.gz CUSMCYKASRYRNA-UHFFFAOYSA-N 2 1 354.455 -0.813 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000283908344 244325484 /nfs/dbraw/zinc/32/54/84/244325484.db2.gz DMRXSCCZTSTSNV-UHFFFAOYSA-N 2 1 374.489 -0.340 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000284046893 244339405 /nfs/dbraw/zinc/33/94/05/244339405.db2.gz QHVXZDRQYOPQSB-UHFFFAOYSA-N 2 1 374.489 -0.340 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1C ZINC000284105860 244343835 /nfs/dbraw/zinc/34/38/35/244343835.db2.gz OVPOCBVUFDBLDW-INIZCTEOSA-N 2 1 368.507 -0.344 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)n1C ZINC000284105865 244345570 /nfs/dbraw/zinc/34/55/70/244345570.db2.gz OVPOCBVUFDBLDW-MRXNPFEDSA-N 2 1 368.507 -0.344 20 0 FBADMP COC(=O)c1cn(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000284204422 244352182 /nfs/dbraw/zinc/35/21/82/244352182.db2.gz ZDYCGNPXXZZNIX-UHFFFAOYSA-N 2 1 360.422 -0.604 20 0 FBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000284227726 244352244 /nfs/dbraw/zinc/35/22/44/244352244.db2.gz KCTOSQHCXJDDPO-UHFFFAOYSA-N 2 1 364.494 -0.160 20 0 FBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000284227726 244352240 /nfs/dbraw/zinc/35/22/40/244352240.db2.gz KCTOSQHCXJDDPO-UHFFFAOYSA-N 2 1 364.494 -0.160 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284369088 483693183 /nfs/dbraw/zinc/69/31/83/483693183.db2.gz CWNPHMAUTFJRJD-UHFFFAOYSA-N 2 1 350.463 -0.071 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284369088 483693180 /nfs/dbraw/zinc/69/31/80/483693180.db2.gz CWNPHMAUTFJRJD-UHFFFAOYSA-N 2 1 350.463 -0.071 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284369088 483693179 /nfs/dbraw/zinc/69/31/79/483693179.db2.gz CWNPHMAUTFJRJD-UHFFFAOYSA-N 2 1 350.463 -0.071 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)ccn1 ZINC000284433224 483695239 /nfs/dbraw/zinc/69/52/39/483695239.db2.gz DIMPTBAOBQDXTR-UHFFFAOYSA-N 2 1 363.462 -0.151 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000284540853 483698322 /nfs/dbraw/zinc/69/83/22/483698322.db2.gz LHVSFWWQVYPUSA-AWEZNQCLSA-N 2 1 365.478 -0.967 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000284540853 483698321 /nfs/dbraw/zinc/69/83/21/483698321.db2.gz LHVSFWWQVYPUSA-AWEZNQCLSA-N 2 1 365.478 -0.967 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000284540856 483698329 /nfs/dbraw/zinc/69/83/29/483698329.db2.gz LHVSFWWQVYPUSA-CQSZACIVSA-N 2 1 365.478 -0.967 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000284540856 483698328 /nfs/dbraw/zinc/69/83/28/483698328.db2.gz LHVSFWWQVYPUSA-CQSZACIVSA-N 2 1 365.478 -0.967 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284668305 483701783 /nfs/dbraw/zinc/70/17/83/483701783.db2.gz UPUBREOJLHIFJP-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284668305 483701781 /nfs/dbraw/zinc/70/17/81/483701781.db2.gz UPUBREOJLHIFJP-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284668305 483701779 /nfs/dbraw/zinc/70/17/79/483701779.db2.gz UPUBREOJLHIFJP-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284668305 483701778 /nfs/dbraw/zinc/70/17/78/483701778.db2.gz UPUBREOJLHIFJP-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)c1 ZINC000284887752 483707572 /nfs/dbraw/zinc/70/75/72/483707572.db2.gz GWEGYDHCEBNTAL-UHFFFAOYSA-N 2 1 361.446 -0.051 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284917520 483708402 /nfs/dbraw/zinc/70/84/02/483708402.db2.gz IKBPGNRJZQBSJU-KRWDZBQOSA-N 2 1 361.490 -0.403 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284917520 483708399 /nfs/dbraw/zinc/70/83/99/483708399.db2.gz IKBPGNRJZQBSJU-KRWDZBQOSA-N 2 1 361.490 -0.403 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284917520 483708394 /nfs/dbraw/zinc/70/83/94/483708394.db2.gz IKBPGNRJZQBSJU-KRWDZBQOSA-N 2 1 361.490 -0.403 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284917521 483708031 /nfs/dbraw/zinc/70/80/31/483708031.db2.gz IKBPGNRJZQBSJU-QGZVFWFLSA-N 2 1 361.490 -0.403 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284917521 483708027 /nfs/dbraw/zinc/70/80/27/483708027.db2.gz IKBPGNRJZQBSJU-QGZVFWFLSA-N 2 1 361.490 -0.403 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284917521 483708023 /nfs/dbraw/zinc/70/80/23/483708023.db2.gz IKBPGNRJZQBSJU-QGZVFWFLSA-N 2 1 361.490 -0.403 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938697 483708867 /nfs/dbraw/zinc/70/88/67/483708867.db2.gz IPQURXOSCURFBP-ALKREAHSSA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938697 483708864 /nfs/dbraw/zinc/70/88/64/483708864.db2.gz IPQURXOSCURFBP-ALKREAHSSA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938697 483708860 /nfs/dbraw/zinc/70/88/60/483708860.db2.gz IPQURXOSCURFBP-ALKREAHSSA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938697 483708859 /nfs/dbraw/zinc/70/88/59/483708859.db2.gz IPQURXOSCURFBP-ALKREAHSSA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000284938705 483708944 /nfs/dbraw/zinc/70/89/44/483708944.db2.gz IPQURXOSCURFBP-IDHHARJASA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000284938705 483708941 /nfs/dbraw/zinc/70/89/41/483708941.db2.gz IPQURXOSCURFBP-IDHHARJASA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284938705 483708938 /nfs/dbraw/zinc/70/89/38/483708938.db2.gz IPQURXOSCURFBP-IDHHARJASA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284938705 483708934 /nfs/dbraw/zinc/70/89/34/483708934.db2.gz IPQURXOSCURFBP-IDHHARJASA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938713 483708916 /nfs/dbraw/zinc/70/89/16/483708916.db2.gz IPQURXOSCURFBP-OGWOLHLISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938713 483708912 /nfs/dbraw/zinc/70/89/12/483708912.db2.gz IPQURXOSCURFBP-OGWOLHLISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938713 483708910 /nfs/dbraw/zinc/70/89/10/483708910.db2.gz IPQURXOSCURFBP-OGWOLHLISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284938713 483708908 /nfs/dbraw/zinc/70/89/08/483708908.db2.gz IPQURXOSCURFBP-OGWOLHLISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000284938719 483708784 /nfs/dbraw/zinc/70/87/84/483708784.db2.gz IPQURXOSCURFBP-SIXWZSSISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000284938719 483708779 /nfs/dbraw/zinc/70/87/79/483708779.db2.gz IPQURXOSCURFBP-SIXWZSSISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284938719 483708776 /nfs/dbraw/zinc/70/87/76/483708776.db2.gz IPQURXOSCURFBP-SIXWZSSISA-N 2 1 360.458 -0.312 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284938719 483708772 /nfs/dbraw/zinc/70/87/72/483708772.db2.gz IPQURXOSCURFBP-SIXWZSSISA-N 2 1 360.458 -0.312 20 0 FBADMP Cn1nccc1[C@H]1[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1C1CC1 ZINC000285036207 483710885 /nfs/dbraw/zinc/71/08/85/483710885.db2.gz IKFPYSKFAYLERF-DNVCBOLYSA-N 2 1 374.489 -0.022 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000285063298 483711723 /nfs/dbraw/zinc/71/17/23/483711723.db2.gz OUZOPBZSVOHORW-UHFFFAOYSA-N 2 1 374.489 -0.340 20 0 FBADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150041 483713014 /nfs/dbraw/zinc/71/30/14/483713014.db2.gz UCIBLPSKUGQFMF-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150041 483713011 /nfs/dbraw/zinc/71/30/11/483713011.db2.gz UCIBLPSKUGQFMF-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150041 483713009 /nfs/dbraw/zinc/71/30/09/483713009.db2.gz UCIBLPSKUGQFMF-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150041 483713006 /nfs/dbraw/zinc/71/30/06/483713006.db2.gz UCIBLPSKUGQFMF-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150048 483712807 /nfs/dbraw/zinc/71/28/07/483712807.db2.gz UCIBLPSKUGQFMF-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150048 483712804 /nfs/dbraw/zinc/71/28/04/483712804.db2.gz UCIBLPSKUGQFMF-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150048 483712802 /nfs/dbraw/zinc/71/28/02/483712802.db2.gz UCIBLPSKUGQFMF-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150048 483712798 /nfs/dbraw/zinc/71/27/98/483712798.db2.gz UCIBLPSKUGQFMF-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000285374654 483717671 /nfs/dbraw/zinc/71/76/71/483717671.db2.gz ZOHIJLCTOHZIBS-KRWDZBQOSA-N 2 1 364.490 -0.030 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285374655 483717394 /nfs/dbraw/zinc/71/73/94/483717394.db2.gz ZOHIJLCTOHZIBS-QGZVFWFLSA-N 2 1 364.490 -0.030 20 0 FBADMP Cn1c2ncn(CC[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c(=O)n(C)c1=O ZINC000285571854 483720156 /nfs/dbraw/zinc/72/01/56/483720156.db2.gz SLOIMFWGSVYXMM-PBWFPOADSA-N 2 1 360.462 -0.009 20 0 FBADMP Cn1c2ncn(CC[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c(=O)n(C)c1=O ZINC000285571854 483720152 /nfs/dbraw/zinc/72/01/52/483720152.db2.gz SLOIMFWGSVYXMM-PBWFPOADSA-N 2 1 360.462 -0.009 20 0 FBADMP Cn1c2ncn(CC[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c2c(=O)n(C)c1=O ZINC000285571854 483720151 /nfs/dbraw/zinc/72/01/51/483720151.db2.gz SLOIMFWGSVYXMM-PBWFPOADSA-N 2 1 360.462 -0.009 20 0 FBADMP COCCN(C)CCNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285800237 483723825 /nfs/dbraw/zinc/72/38/25/483723825.db2.gz YCHAIKKSUVRRHC-UHFFFAOYSA-N 2 1 363.462 -0.008 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285800237 483723824 /nfs/dbraw/zinc/72/38/24/483723824.db2.gz YCHAIKKSUVRRHC-UHFFFAOYSA-N 2 1 363.462 -0.008 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000285826828 483724418 /nfs/dbraw/zinc/72/44/18/483724418.db2.gz IKUIFRFWXNMTQX-UHFFFAOYSA-N 2 1 350.467 -0.550 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000285826828 483724416 /nfs/dbraw/zinc/72/44/16/483724416.db2.gz IKUIFRFWXNMTQX-UHFFFAOYSA-N 2 1 350.467 -0.550 20 0 FBADMP C[NH2+][C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834887 483724372 /nfs/dbraw/zinc/72/43/72/483724372.db2.gz VQYOUGJIWZCFQE-CABCVRRESA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834887 483724370 /nfs/dbraw/zinc/72/43/70/483724370.db2.gz VQYOUGJIWZCFQE-CABCVRRESA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834891 483724675 /nfs/dbraw/zinc/72/46/75/483724675.db2.gz VQYOUGJIWZCFQE-GJZGRUSLSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834891 483724674 /nfs/dbraw/zinc/72/46/74/483724674.db2.gz VQYOUGJIWZCFQE-GJZGRUSLSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834895 483724487 /nfs/dbraw/zinc/72/44/87/483724487.db2.gz VQYOUGJIWZCFQE-HUUCEWRRSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834895 483724483 /nfs/dbraw/zinc/72/44/83/483724483.db2.gz VQYOUGJIWZCFQE-HUUCEWRRSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834900 483724309 /nfs/dbraw/zinc/72/43/09/483724309.db2.gz VQYOUGJIWZCFQE-LSDHHAIUSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834900 483724305 /nfs/dbraw/zinc/72/43/05/483724305.db2.gz VQYOUGJIWZCFQE-LSDHHAIUSA-N 2 1 350.467 -0.261 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000285857687 483725201 /nfs/dbraw/zinc/72/52/01/483725201.db2.gz KFDHSYOCTWRFAQ-KBPBESRZSA-N 2 1 351.451 -0.077 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000285857689 483725378 /nfs/dbraw/zinc/72/53/78/483725378.db2.gz KFDHSYOCTWRFAQ-OKILXGFUSA-N 2 1 351.451 -0.077 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000285857689 483725375 /nfs/dbraw/zinc/72/53/75/483725375.db2.gz KFDHSYOCTWRFAQ-OKILXGFUSA-N 2 1 351.451 -0.077 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000285857691 483725385 /nfs/dbraw/zinc/72/53/85/483725385.db2.gz KFDHSYOCTWRFAQ-ZIAGYGMSSA-N 2 1 351.451 -0.077 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000285918026 483726891 /nfs/dbraw/zinc/72/68/91/483726891.db2.gz NYFLZIPFPIJDDW-AWEZNQCLSA-N 2 1 351.451 -0.075 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000285918026 483726888 /nfs/dbraw/zinc/72/68/88/483726888.db2.gz NYFLZIPFPIJDDW-AWEZNQCLSA-N 2 1 351.451 -0.075 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000285918030 483726614 /nfs/dbraw/zinc/72/66/14/483726614.db2.gz NYFLZIPFPIJDDW-CQSZACIVSA-N 2 1 351.451 -0.075 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000285918030 483726611 /nfs/dbraw/zinc/72/66/11/483726611.db2.gz NYFLZIPFPIJDDW-CQSZACIVSA-N 2 1 351.451 -0.075 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000285933173 483726905 /nfs/dbraw/zinc/72/69/05/483726905.db2.gz OYTMCXHUPOHGJN-UHFFFAOYSA-N 2 1 374.445 -0.040 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)n1C ZINC000286061868 483730653 /nfs/dbraw/zinc/73/06/53/483730653.db2.gz URWXAQXFHVFARB-UHFFFAOYSA-N 2 1 350.467 -0.050 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000286076309 483730431 /nfs/dbraw/zinc/73/04/31/483730431.db2.gz YOGGMSVWNNBDGU-UHFFFAOYSA-N 2 1 363.462 -0.121 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000286109221 483731142 /nfs/dbraw/zinc/73/11/42/483731142.db2.gz SUDGHZLQHGMQAG-UHFFFAOYSA-N 2 1 354.451 -0.136 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286659169 483741583 /nfs/dbraw/zinc/74/15/83/483741583.db2.gz AHCZJNOBEUEHLN-CYBMUJFWSA-N 2 1 350.467 -0.098 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286659169 483741580 /nfs/dbraw/zinc/74/15/80/483741580.db2.gz AHCZJNOBEUEHLN-CYBMUJFWSA-N 2 1 350.467 -0.098 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286659175 483741531 /nfs/dbraw/zinc/74/15/31/483741531.db2.gz AHCZJNOBEUEHLN-ZDUSSCGKSA-N 2 1 350.467 -0.098 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286659175 483741529 /nfs/dbraw/zinc/74/15/29/483741529.db2.gz AHCZJNOBEUEHLN-ZDUSSCGKSA-N 2 1 350.467 -0.098 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286777313 534952250 /nfs/dbraw/zinc/95/22/50/534952250.db2.gz IHOBPZCTCXNGOJ-CYBMUJFWSA-N 2 1 350.467 -0.050 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286777313 534952243 /nfs/dbraw/zinc/95/22/43/534952243.db2.gz IHOBPZCTCXNGOJ-CYBMUJFWSA-N 2 1 350.467 -0.050 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286777314 244371144 /nfs/dbraw/zinc/37/11/44/244371144.db2.gz IHOBPZCTCXNGOJ-ZDUSSCGKSA-N 2 1 350.467 -0.050 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286777314 244371136 /nfs/dbraw/zinc/37/11/36/244371136.db2.gz IHOBPZCTCXNGOJ-ZDUSSCGKSA-N 2 1 350.467 -0.050 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)n1C ZINC000286893994 483744387 /nfs/dbraw/zinc/74/43/87/483744387.db2.gz KYCHHSJXCFYVDA-CYBMUJFWSA-N 2 1 350.467 -0.098 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)n1C ZINC000286893994 483744385 /nfs/dbraw/zinc/74/43/85/483744385.db2.gz KYCHHSJXCFYVDA-CYBMUJFWSA-N 2 1 350.467 -0.098 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)n1C ZINC000286894001 483744149 /nfs/dbraw/zinc/74/41/49/483744149.db2.gz KYCHHSJXCFYVDA-ZDUSSCGKSA-N 2 1 350.467 -0.098 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)n1C ZINC000286894001 483744147 /nfs/dbraw/zinc/74/41/47/483744147.db2.gz KYCHHSJXCFYVDA-ZDUSSCGKSA-N 2 1 350.467 -0.098 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000287114198 483747888 /nfs/dbraw/zinc/74/78/88/483747888.db2.gz XSAXMQFXZWSZGY-FGTMMUONSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000287114198 483747886 /nfs/dbraw/zinc/74/78/86/483747886.db2.gz XSAXMQFXZWSZGY-FGTMMUONSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000287114198 483747885 /nfs/dbraw/zinc/74/78/85/483747885.db2.gz XSAXMQFXZWSZGY-FGTMMUONSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000287114202 483747809 /nfs/dbraw/zinc/74/78/09/483747809.db2.gz XSAXMQFXZWSZGY-KURKYZTESA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000287114202 483747806 /nfs/dbraw/zinc/74/78/06/483747806.db2.gz XSAXMQFXZWSZGY-KURKYZTESA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000287114202 483747803 /nfs/dbraw/zinc/74/78/03/483747803.db2.gz XSAXMQFXZWSZGY-KURKYZTESA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000287114206 483747655 /nfs/dbraw/zinc/74/76/55/483747655.db2.gz XSAXMQFXZWSZGY-KZNAEPCWSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000287114206 483747652 /nfs/dbraw/zinc/74/76/52/483747652.db2.gz XSAXMQFXZWSZGY-KZNAEPCWSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000287114206 483747648 /nfs/dbraw/zinc/74/76/48/483747648.db2.gz XSAXMQFXZWSZGY-KZNAEPCWSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000287114210 483747544 /nfs/dbraw/zinc/74/75/44/483747544.db2.gz XSAXMQFXZWSZGY-SQNIBIBYSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000287114210 483747539 /nfs/dbraw/zinc/74/75/39/483747539.db2.gz XSAXMQFXZWSZGY-SQNIBIBYSA-N 2 1 373.501 -0.090 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000287114210 483747537 /nfs/dbraw/zinc/74/75/37/483747537.db2.gz XSAXMQFXZWSZGY-SQNIBIBYSA-N 2 1 373.501 -0.090 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000288324072 483769106 /nfs/dbraw/zinc/76/91/06/483769106.db2.gz XSOZUFJHXLGLIE-UHFFFAOYSA-N 2 1 363.462 -0.185 20 0 FBADMP CO[C@@H](C[NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000289472451 483786430 /nfs/dbraw/zinc/78/64/30/483786430.db2.gz AZIRIVBCWAKJRK-INIZCTEOSA-N 2 1 364.446 -0.063 20 0 FBADMP CO[C@H](C[NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000289472454 483786136 /nfs/dbraw/zinc/78/61/36/483786136.db2.gz AZIRIVBCWAKJRK-MRXNPFEDSA-N 2 1 364.446 -0.063 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289851485 483790142 /nfs/dbraw/zinc/79/01/42/483790142.db2.gz KQZPHJPYIGUZIA-CABCVRRESA-N 2 1 363.462 -0.011 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289851489 483790436 /nfs/dbraw/zinc/79/04/36/483790436.db2.gz KQZPHJPYIGUZIA-GJZGRUSLSA-N 2 1 363.462 -0.011 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289851494 483790691 /nfs/dbraw/zinc/79/06/91/483790691.db2.gz KQZPHJPYIGUZIA-HUUCEWRRSA-N 2 1 363.462 -0.011 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289851498 483790832 /nfs/dbraw/zinc/79/08/32/483790832.db2.gz KQZPHJPYIGUZIA-LSDHHAIUSA-N 2 1 363.462 -0.011 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000290013342 483792053 /nfs/dbraw/zinc/79/20/53/483792053.db2.gz SJQGSUJYZJTXCI-INIZCTEOSA-N 2 1 363.462 -0.010 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000290013345 483792010 /nfs/dbraw/zinc/79/20/10/483792010.db2.gz SJQGSUJYZJTXCI-MRXNPFEDSA-N 2 1 363.462 -0.010 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)c(=O)n2C ZINC000292149965 483809143 /nfs/dbraw/zinc/80/91/43/483809143.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)c(=O)n2C ZINC000292149965 483809142 /nfs/dbraw/zinc/80/91/42/483809142.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)c(=O)n2C ZINC000292149965 483809141 /nfs/dbraw/zinc/80/91/41/483809141.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)c(=O)n2C ZINC000292149965 483809140 /nfs/dbraw/zinc/80/91/40/483809140.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)c(=O)n2C ZINC000292149972 483809314 /nfs/dbraw/zinc/80/93/14/483809314.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@]3(CC[N@H+](C)C3)C1)c(=O)n2C ZINC000292149972 483809313 /nfs/dbraw/zinc/80/93/13/483809313.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@]3(CC[NH+](C)C3)C1)c(=O)n2C ZINC000292149972 483809311 /nfs/dbraw/zinc/80/93/11/483809311.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)c(=O)n2C ZINC000292149972 483809308 /nfs/dbraw/zinc/80/93/08/483809308.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c(=O)n(C)c1=O ZINC000293010564 483813533 /nfs/dbraw/zinc/81/35/33/483813533.db2.gz PQLCTWDKPOOENV-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c2c(=O)n(C)c1=O ZINC000293010564 483813530 /nfs/dbraw/zinc/81/35/30/483813530.db2.gz PQLCTWDKPOOENV-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2c(=O)n(C)c1=O ZINC000293010564 483813527 /nfs/dbraw/zinc/81/35/27/483813527.db2.gz PQLCTWDKPOOENV-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2c(=O)n(C)c1=O ZINC000293010564 483813525 /nfs/dbraw/zinc/81/35/25/483813525.db2.gz PQLCTWDKPOOENV-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c(=O)n(C)c1=O ZINC000293010569 483813193 /nfs/dbraw/zinc/81/31/93/483813193.db2.gz PQLCTWDKPOOENV-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c(=O)n(C)c1=O ZINC000293010569 483813192 /nfs/dbraw/zinc/81/31/92/483813192.db2.gz PQLCTWDKPOOENV-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2c(=O)n(C)c1=O ZINC000293010569 483813190 /nfs/dbraw/zinc/81/31/90/483813190.db2.gz PQLCTWDKPOOENV-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2c(=O)n(C)c1=O ZINC000293010569 483813188 /nfs/dbraw/zinc/81/31/88/483813188.db2.gz PQLCTWDKPOOENV-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C)n1 ZINC000294734107 483822915 /nfs/dbraw/zinc/82/29/15/483822915.db2.gz KWDPIKRZMRDSRS-CYBMUJFWSA-N 2 1 351.455 -0.372 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C)n1 ZINC000294734108 483823100 /nfs/dbraw/zinc/82/31/00/483823100.db2.gz KWDPIKRZMRDSRS-ZDUSSCGKSA-N 2 1 351.455 -0.372 20 0 FBADMP Cc1nccc(N2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000297743533 483836790 /nfs/dbraw/zinc/83/67/90/483836790.db2.gz OLMMHEYNAQCRJS-HNNXBMFYSA-N 2 1 358.446 -0.260 20 0 FBADMP Cc1nccc(N2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000297743535 483837232 /nfs/dbraw/zinc/83/72/32/483837232.db2.gz OLMMHEYNAQCRJS-OAHLLOKOSA-N 2 1 358.446 -0.260 20 0 FBADMP Cn1cc(CN2CCCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000297746027 483836965 /nfs/dbraw/zinc/83/69/65/483836965.db2.gz PAEORANGKBNFPE-KRWDZBQOSA-N 2 1 374.489 -0.239 20 0 FBADMP Cn1cc(CN2CCCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000297746029 483836998 /nfs/dbraw/zinc/83/69/98/483836998.db2.gz PAEORANGKBNFPE-QGZVFWFLSA-N 2 1 374.489 -0.239 20 0 FBADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000299617580 483865989 /nfs/dbraw/zinc/86/59/89/483865989.db2.gz ZBKQDKWHOPEWTA-UHFFFAOYSA-N 2 1 369.491 -0.240 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726097 483867883 /nfs/dbraw/zinc/86/78/83/483867883.db2.gz QXIPPWVRIYLBAA-HNNXBMFYSA-N 2 1 365.478 -0.579 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726098 483867617 /nfs/dbraw/zinc/86/76/17/483867617.db2.gz QXIPPWVRIYLBAA-OAHLLOKOSA-N 2 1 365.478 -0.579 20 0 FBADMP C[C@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)ncn2)CC[NH+]1CCO ZINC000302442132 484518923 /nfs/dbraw/zinc/51/89/23/484518923.db2.gz QQCVRYWWXYCMBW-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@H](C)C3)ncn2)CC[NH+]1CCO ZINC000302442138 484519944 /nfs/dbraw/zinc/51/99/44/484519944.db2.gz QQCVRYWWXYCMBW-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000303371530 483879911 /nfs/dbraw/zinc/87/99/11/483879911.db2.gz VJMYSFXXABUIBP-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000303371531 483879656 /nfs/dbraw/zinc/87/96/56/483879656.db2.gz VJMYSFXXABUIBP-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000303396578 484152134 /nfs/dbraw/zinc/15/21/34/484152134.db2.gz ZSUMTOYTRJVDPG-GDBMZVCRSA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000303396579 484151956 /nfs/dbraw/zinc/15/19/56/484151956.db2.gz ZSUMTOYTRJVDPG-GOEBONIOSA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000303396580 484151990 /nfs/dbraw/zinc/15/19/90/484151990.db2.gz ZSUMTOYTRJVDPG-HOCLYGCPSA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000303396581 484152299 /nfs/dbraw/zinc/15/22/99/484152299.db2.gz ZSUMTOYTRJVDPG-ZBFHGGJFSA-N 2 1 354.495 -0.265 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000326999101 483891663 /nfs/dbraw/zinc/89/16/63/483891663.db2.gz ASOXCXGNIBYNES-BZUAXINKSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000326999101 483891662 /nfs/dbraw/zinc/89/16/62/483891662.db2.gz ASOXCXGNIBYNES-BZUAXINKSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000326999103 483891471 /nfs/dbraw/zinc/89/14/71/483891471.db2.gz ASOXCXGNIBYNES-OAGGEKHMSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000326999103 483891469 /nfs/dbraw/zinc/89/14/69/483891469.db2.gz ASOXCXGNIBYNES-OAGGEKHMSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000326999105 483891442 /nfs/dbraw/zinc/89/14/42/483891442.db2.gz ASOXCXGNIBYNES-OWCLPIDISA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000326999105 483891440 /nfs/dbraw/zinc/89/14/40/483891440.db2.gz ASOXCXGNIBYNES-OWCLPIDISA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000326999106 483891332 /nfs/dbraw/zinc/89/13/32/483891332.db2.gz ASOXCXGNIBYNES-PMPSAXMXSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000326999106 483891329 /nfs/dbraw/zinc/89/13/29/483891329.db2.gz ASOXCXGNIBYNES-PMPSAXMXSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000327055032 657553670 /nfs/dbraw/zinc/55/36/70/657553670.db2.gz VFLBBVBHTCZVAA-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000327055034 657553425 /nfs/dbraw/zinc/55/34/25/657553425.db2.gz VFLBBVBHTCZVAA-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000327055035 657553772 /nfs/dbraw/zinc/55/37/72/657553772.db2.gz VFLBBVBHTCZVAA-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000327055036 657553564 /nfs/dbraw/zinc/55/35/64/657553564.db2.gz VFLBBVBHTCZVAA-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000327583891 483914574 /nfs/dbraw/zinc/91/45/74/483914574.db2.gz GRBIUUWPBTVSNG-AWEZNQCLSA-N 2 1 354.451 -0.815 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000327583896 483914425 /nfs/dbraw/zinc/91/44/25/483914425.db2.gz GRBIUUWPBTVSNG-CQSZACIVSA-N 2 1 354.451 -0.815 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645859 484178215 /nfs/dbraw/zinc/17/82/15/484178215.db2.gz UFOKMWRDYSDGPZ-GUTXKFCHSA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645859 484178205 /nfs/dbraw/zinc/17/82/05/484178205.db2.gz UFOKMWRDYSDGPZ-GUTXKFCHSA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645861 484179305 /nfs/dbraw/zinc/17/93/05/484179305.db2.gz UFOKMWRDYSDGPZ-GZBFAFLISA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645861 484179300 /nfs/dbraw/zinc/17/93/00/484179300.db2.gz UFOKMWRDYSDGPZ-GZBFAFLISA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645863 484178869 /nfs/dbraw/zinc/17/88/69/484178869.db2.gz UFOKMWRDYSDGPZ-KCQAQPDRSA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645863 484178863 /nfs/dbraw/zinc/17/88/63/484178863.db2.gz UFOKMWRDYSDGPZ-KCQAQPDRSA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645865 484179589 /nfs/dbraw/zinc/17/95/89/484179589.db2.gz UFOKMWRDYSDGPZ-YDHLFZDLSA-N 2 1 356.467 -0.523 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)OC ZINC000327645865 484179584 /nfs/dbraw/zinc/17/95/84/484179584.db2.gz UFOKMWRDYSDGPZ-YDHLFZDLSA-N 2 1 356.467 -0.523 20 0 FBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327700558 658408192 /nfs/dbraw/zinc/40/81/92/658408192.db2.gz CBNSEZUVKSGTKN-HZMVEIRTSA-N 2 1 357.495 -0.021 20 0 FBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327700559 658407665 /nfs/dbraw/zinc/40/76/65/658407665.db2.gz CBNSEZUVKSGTKN-MWDXBVQZSA-N 2 1 357.495 -0.021 20 0 FBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327700560 658408165 /nfs/dbraw/zinc/40/81/65/658408165.db2.gz CBNSEZUVKSGTKN-NXOAAHMSSA-N 2 1 357.495 -0.021 20 0 FBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327700561 658407643 /nfs/dbraw/zinc/40/76/43/658407643.db2.gz CBNSEZUVKSGTKN-YLFCFFPRSA-N 2 1 357.495 -0.021 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000328935066 657466355 /nfs/dbraw/zinc/46/63/55/657466355.db2.gz JBJZTYPWRRVQHB-INIZCTEOSA-N 2 1 351.495 -0.611 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000328935067 657466603 /nfs/dbraw/zinc/46/66/03/657466603.db2.gz JBJZTYPWRRVQHB-MRXNPFEDSA-N 2 1 351.495 -0.611 20 0 FBADMP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000329018992 484205924 /nfs/dbraw/zinc/20/59/24/484205924.db2.gz LCYNKRMOMMEXPM-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000329018992 484205911 /nfs/dbraw/zinc/20/59/11/484205911.db2.gz LCYNKRMOMMEXPM-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(=O)N1CCC[C@](O)(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000329150889 484218154 /nfs/dbraw/zinc/21/81/54/484218154.db2.gz ZTMVGOPUHHLZGI-GOSISDBHSA-N 2 1 354.495 -0.156 20 0 FBADMP CC(=O)N1CCC[C@@](O)(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000329150890 484218028 /nfs/dbraw/zinc/21/80/28/484218028.db2.gz ZTMVGOPUHHLZGI-SFHVURJKSA-N 2 1 354.495 -0.156 20 0 FBADMP O=C(CC(O)CC(=O)N1CC[NH+](C2CC2)CC1)N1CCN(C2CC2)CC1 ZINC000329174729 484220170 /nfs/dbraw/zinc/22/01/70/484220170.db2.gz BFDJDZJXKCVIQO-UHFFFAOYSA-N 2 1 364.490 -0.259 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCN3C(=O)CNC3=O)CC2)CC1 ZINC000329221010 484224455 /nfs/dbraw/zinc/22/44/55/484224455.db2.gz BSMIOHWFEVDFIS-UHFFFAOYSA-N 2 1 351.451 -0.381 20 0 FBADMP CCN1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000329293299 484230368 /nfs/dbraw/zinc/23/03/68/484230368.db2.gz NWQWEWCWSUNFCE-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000329293299 484230365 /nfs/dbraw/zinc/23/03/65/484230365.db2.gz NWQWEWCWSUNFCE-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000329293303 484229227 /nfs/dbraw/zinc/22/92/27/484229227.db2.gz NWQWEWCWSUNFCE-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000329293303 484229222 /nfs/dbraw/zinc/22/92/22/484229222.db2.gz NWQWEWCWSUNFCE-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000329293304 484229874 /nfs/dbraw/zinc/22/98/74/484229874.db2.gz NWQWEWCWSUNFCE-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000329293304 484229866 /nfs/dbraw/zinc/22/98/66/484229866.db2.gz NWQWEWCWSUNFCE-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000329293306 484230207 /nfs/dbraw/zinc/23/02/07/484230207.db2.gz NWQWEWCWSUNFCE-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000329293306 484230203 /nfs/dbraw/zinc/23/02/03/484230203.db2.gz NWQWEWCWSUNFCE-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329515665 484254013 /nfs/dbraw/zinc/25/40/13/484254013.db2.gz YOINUEMKBJYYSU-CVEARBPZSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329515667 484254962 /nfs/dbraw/zinc/25/49/62/484254962.db2.gz YOINUEMKBJYYSU-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329515669 484253852 /nfs/dbraw/zinc/25/38/52/484253852.db2.gz YOINUEMKBJYYSU-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329515671 484253987 /nfs/dbraw/zinc/25/39/87/484253987.db2.gz YOINUEMKBJYYSU-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000329519111 484254870 /nfs/dbraw/zinc/25/48/70/484254870.db2.gz PYBXIJAMCDRHBZ-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000329519114 484253876 /nfs/dbraw/zinc/25/38/76/484253876.db2.gz PYBXIJAMCDRHBZ-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329546736 484258072 /nfs/dbraw/zinc/25/80/72/484258072.db2.gz OLDLYRIQDDSIGO-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329546737 484257642 /nfs/dbraw/zinc/25/76/42/484257642.db2.gz OLDLYRIQDDSIGO-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329695590 484282512 /nfs/dbraw/zinc/28/25/12/484282512.db2.gz DDTAOYUXFUHBFB-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329695590 484282508 /nfs/dbraw/zinc/28/25/08/484282508.db2.gz DDTAOYUXFUHBFB-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329695591 484283068 /nfs/dbraw/zinc/28/30/68/484283068.db2.gz DDTAOYUXFUHBFB-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP C[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329695591 484283062 /nfs/dbraw/zinc/28/30/62/484283062.db2.gz DDTAOYUXFUHBFB-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129676 484312969 /nfs/dbraw/zinc/31/29/69/484312969.db2.gz OLKVHSVNBVFVGR-CVEARBPZSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129676 484312965 /nfs/dbraw/zinc/31/29/65/484312965.db2.gz OLKVHSVNBVFVGR-CVEARBPZSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129678 484312530 /nfs/dbraw/zinc/31/25/30/484312530.db2.gz OLKVHSVNBVFVGR-HOTGVXAUSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129678 484312524 /nfs/dbraw/zinc/31/25/24/484312524.db2.gz OLKVHSVNBVFVGR-HOTGVXAUSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129680 484312461 /nfs/dbraw/zinc/31/24/61/484312461.db2.gz OLKVHSVNBVFVGR-HZPDHXFCSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129680 484312457 /nfs/dbraw/zinc/31/24/57/484312457.db2.gz OLKVHSVNBVFVGR-HZPDHXFCSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129682 484312586 /nfs/dbraw/zinc/31/25/86/484312586.db2.gz OLKVHSVNBVFVGR-JKSUJKDBSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000330129682 484312579 /nfs/dbraw/zinc/31/25/79/484312579.db2.gz OLKVHSVNBVFVGR-JKSUJKDBSA-N 2 1 351.495 -0.613 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227066 484319634 /nfs/dbraw/zinc/31/96/34/484319634.db2.gz BVASGGMVLFRAHY-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227066 484319627 /nfs/dbraw/zinc/31/96/27/484319627.db2.gz BVASGGMVLFRAHY-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227066 484319621 /nfs/dbraw/zinc/31/96/21/484319621.db2.gz BVASGGMVLFRAHY-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227070 484319246 /nfs/dbraw/zinc/31/92/46/484319246.db2.gz BVASGGMVLFRAHY-IXDOHACOSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227070 484319239 /nfs/dbraw/zinc/31/92/39/484319239.db2.gz BVASGGMVLFRAHY-IXDOHACOSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227070 484319231 /nfs/dbraw/zinc/31/92/31/484319231.db2.gz BVASGGMVLFRAHY-IXDOHACOSA-N 2 1 364.490 -0.280 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385742 483912975 /nfs/dbraw/zinc/91/29/75/483912975.db2.gz AFIVMGRFQVEFMS-AWEZNQCLSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385742 483912969 /nfs/dbraw/zinc/91/29/69/483912969.db2.gz AFIVMGRFQVEFMS-AWEZNQCLSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385743 483912824 /nfs/dbraw/zinc/91/28/24/483912824.db2.gz AFIVMGRFQVEFMS-CQSZACIVSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385743 483912819 /nfs/dbraw/zinc/91/28/19/483912819.db2.gz AFIVMGRFQVEFMS-CQSZACIVSA-N 2 1 360.524 -0.152 20 0 FBADMP CCCS(=O)(=O)NC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330424512 483913891 /nfs/dbraw/zinc/91/38/91/483913891.db2.gz HRFYDLYFVPKZNZ-UHFFFAOYSA-N 2 1 360.524 -0.056 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000330577249 483927126 /nfs/dbraw/zinc/92/71/26/483927126.db2.gz HAUBTJDUJDVSTD-INIZCTEOSA-N 2 1 353.511 -0.365 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000330577750 483927251 /nfs/dbraw/zinc/92/72/51/483927251.db2.gz HAUBTJDUJDVSTD-MRXNPFEDSA-N 2 1 353.511 -0.365 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330603882 483931944 /nfs/dbraw/zinc/93/19/44/483931944.db2.gz KRSFDMWJJKRILX-LLVKDONJSA-N 2 1 351.451 -0.489 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330603883 483931703 /nfs/dbraw/zinc/93/17/03/483931703.db2.gz KRSFDMWJJKRILX-NSHDSACASA-N 2 1 351.451 -0.489 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330768920 483943571 /nfs/dbraw/zinc/94/35/71/483943571.db2.gz SWLLGYTUOGMOQB-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330768921 483944386 /nfs/dbraw/zinc/94/43/86/483944386.db2.gz SWLLGYTUOGMOQB-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330862598 483951258 /nfs/dbraw/zinc/95/12/58/483951258.db2.gz SUWGMPLXNIVTCJ-HNNXBMFYSA-N 2 1 360.524 -0.104 20 0 FBADMP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330863062 483951017 /nfs/dbraw/zinc/95/10/17/483951017.db2.gz SUWGMPLXNIVTCJ-OAHLLOKOSA-N 2 1 360.524 -0.104 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330966367 483961270 /nfs/dbraw/zinc/96/12/70/483961270.db2.gz QHYHVSULXADBAG-UHFFFAOYSA-N 2 1 360.524 -0.057 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000331367793 484322119 /nfs/dbraw/zinc/32/21/19/484322119.db2.gz BPWKAUPSXAXRRN-CVEARBPZSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000331367793 484322112 /nfs/dbraw/zinc/32/21/12/484322112.db2.gz BPWKAUPSXAXRRN-CVEARBPZSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1(C)C ZINC000331367793 484322105 /nfs/dbraw/zinc/32/21/05/484322105.db2.gz BPWKAUPSXAXRRN-CVEARBPZSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000331367794 484321720 /nfs/dbraw/zinc/32/17/20/484321720.db2.gz BPWKAUPSXAXRRN-HOTGVXAUSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000331367794 484321714 /nfs/dbraw/zinc/32/17/14/484321714.db2.gz BPWKAUPSXAXRRN-HOTGVXAUSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1(C)C ZINC000331367794 484321709 /nfs/dbraw/zinc/32/17/09/484321709.db2.gz BPWKAUPSXAXRRN-HOTGVXAUSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000331367795 484322466 /nfs/dbraw/zinc/32/24/66/484322466.db2.gz BPWKAUPSXAXRRN-HZPDHXFCSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000331367795 484322461 /nfs/dbraw/zinc/32/24/61/484322461.db2.gz BPWKAUPSXAXRRN-HZPDHXFCSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1(C)C ZINC000331367795 484322453 /nfs/dbraw/zinc/32/24/53/484322453.db2.gz BPWKAUPSXAXRRN-HZPDHXFCSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000331367796 484321895 /nfs/dbraw/zinc/32/18/95/484321895.db2.gz BPWKAUPSXAXRRN-JKSUJKDBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000331367796 484321889 /nfs/dbraw/zinc/32/18/89/484321889.db2.gz BPWKAUPSXAXRRN-JKSUJKDBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1(C)C ZINC000331367796 484321881 /nfs/dbraw/zinc/32/18/81/484321881.db2.gz BPWKAUPSXAXRRN-JKSUJKDBSA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331377553 484324384 /nfs/dbraw/zinc/32/43/84/484324384.db2.gz DYJCYJQJRQAMQN-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331377557 484323756 /nfs/dbraw/zinc/32/37/56/484323756.db2.gz DYJCYJQJRQAMQN-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331383555 484324044 /nfs/dbraw/zinc/32/40/44/484324044.db2.gz NRQJHTAUBNWNTG-GOSISDBHSA-N 2 1 352.479 -0.400 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331383555 484324038 /nfs/dbraw/zinc/32/40/38/484324038.db2.gz NRQJHTAUBNWNTG-GOSISDBHSA-N 2 1 352.479 -0.400 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331383557 484323738 /nfs/dbraw/zinc/32/37/38/484323738.db2.gz NRQJHTAUBNWNTG-SFHVURJKSA-N 2 1 352.479 -0.400 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331383557 484323729 /nfs/dbraw/zinc/32/37/29/484323729.db2.gz NRQJHTAUBNWNTG-SFHVURJKSA-N 2 1 352.479 -0.400 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387886 484324789 /nfs/dbraw/zinc/32/47/89/484324789.db2.gz ILTQKDSNGFOGHW-CVEARBPZSA-N 2 1 351.495 -0.566 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387887 484323906 /nfs/dbraw/zinc/32/39/06/484323906.db2.gz ILTQKDSNGFOGHW-HOTGVXAUSA-N 2 1 351.495 -0.566 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387889 484323440 /nfs/dbraw/zinc/32/34/40/484323440.db2.gz ILTQKDSNGFOGHW-HZPDHXFCSA-N 2 1 351.495 -0.566 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387891 484324338 /nfs/dbraw/zinc/32/43/38/484324338.db2.gz ILTQKDSNGFOGHW-JKSUJKDBSA-N 2 1 351.495 -0.566 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[N@@H+](C)C1 ZINC000331416765 484327627 /nfs/dbraw/zinc/32/76/27/484327627.db2.gz DKYKVPOXJAKPAU-GVRJEKJASA-N 2 1 352.479 -0.250 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[N@@H+](C)C1 ZINC000331416784 484327480 /nfs/dbraw/zinc/32/74/80/484327480.db2.gz DKYKVPOXJAKPAU-QXKUPLGCSA-N 2 1 352.479 -0.250 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[N@@H+](C)C1 ZINC000331416785 484326933 /nfs/dbraw/zinc/32/69/33/484326933.db2.gz DKYKVPOXJAKPAU-RFBLXINOSA-N 2 1 352.479 -0.250 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[N@@H+](C)C1 ZINC000331416787 484327728 /nfs/dbraw/zinc/32/77/28/484327728.db2.gz DKYKVPOXJAKPAU-UVPYHEFZSA-N 2 1 352.479 -0.250 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434292 484327262 /nfs/dbraw/zinc/32/72/62/484327262.db2.gz QTKRDVCTLYQMFI-ARFHVFGLSA-N 2 1 365.522 -0.286 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434293 484327225 /nfs/dbraw/zinc/32/72/25/484327225.db2.gz QTKRDVCTLYQMFI-HRCADAONSA-N 2 1 365.522 -0.286 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434294 484327399 /nfs/dbraw/zinc/32/73/99/484327399.db2.gz QTKRDVCTLYQMFI-JYJNAYRXSA-N 2 1 365.522 -0.286 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434296 484327212 /nfs/dbraw/zinc/32/72/12/484327212.db2.gz QTKRDVCTLYQMFI-XHSDSOJGSA-N 2 1 365.522 -0.286 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000331462346 484330585 /nfs/dbraw/zinc/33/05/85/484330585.db2.gz FRAJRCXLUVKUKY-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000331462346 484330578 /nfs/dbraw/zinc/33/05/78/484330578.db2.gz FRAJRCXLUVKUKY-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000331462346 484330573 /nfs/dbraw/zinc/33/05/73/484330573.db2.gz FRAJRCXLUVKUKY-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000331462352 484330760 /nfs/dbraw/zinc/33/07/60/484330760.db2.gz FRAJRCXLUVKUKY-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000331462352 484330756 /nfs/dbraw/zinc/33/07/56/484330756.db2.gz FRAJRCXLUVKUKY-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000331462352 484330752 /nfs/dbraw/zinc/33/07/52/484330752.db2.gz FRAJRCXLUVKUKY-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]C1 ZINC000331465195 244851865 /nfs/dbraw/zinc/85/18/65/244851865.db2.gz SMWXEWIDXMQNBI-GOSISDBHSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]C1 ZINC000331465199 484330815 /nfs/dbraw/zinc/33/08/15/484330815.db2.gz SMWXEWIDXMQNBI-SFHVURJKSA-N 2 1 352.479 -0.185 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331474754 484332099 /nfs/dbraw/zinc/33/20/99/484332099.db2.gz VBGGHIJRHYSAPN-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331474758 244854113 /nfs/dbraw/zinc/85/41/13/244854113.db2.gz VBGGHIJRHYSAPN-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)[N@@H+](C)C1 ZINC000331491252 484334368 /nfs/dbraw/zinc/33/43/68/484334368.db2.gz JFFMOEIMCZBWCP-FXUDXRNXSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)[N@H+](C)C1 ZINC000331491252 484334362 /nfs/dbraw/zinc/33/43/62/484334362.db2.gz JFFMOEIMCZBWCP-FXUDXRNXSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)[NH+](C)C1 ZINC000331491252 484334357 /nfs/dbraw/zinc/33/43/57/484334357.db2.gz JFFMOEIMCZBWCP-FXUDXRNXSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)[N@@H+](C)C1 ZINC000331491257 484333457 /nfs/dbraw/zinc/33/34/57/484333457.db2.gz JFFMOEIMCZBWCP-UGUYLWEFSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)[N@H+](C)C1 ZINC000331491257 484333452 /nfs/dbraw/zinc/33/34/52/484333452.db2.gz JFFMOEIMCZBWCP-UGUYLWEFSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)[NH+](C)C1 ZINC000331491257 484333444 /nfs/dbraw/zinc/33/34/44/484333444.db2.gz JFFMOEIMCZBWCP-UGUYLWEFSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[N@@H+](C)C1 ZINC000331491261 484334679 /nfs/dbraw/zinc/33/46/79/484334679.db2.gz JFFMOEIMCZBWCP-VGWMRTNUSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[N@H+](C)C1 ZINC000331491261 484334673 /nfs/dbraw/zinc/33/46/73/484334673.db2.gz JFFMOEIMCZBWCP-VGWMRTNUSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[NH+](C)C1 ZINC000331491261 484334665 /nfs/dbraw/zinc/33/46/65/484334665.db2.gz JFFMOEIMCZBWCP-VGWMRTNUSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[N@@H+](C)C1 ZINC000331491264 484333693 /nfs/dbraw/zinc/33/36/93/484333693.db2.gz JFFMOEIMCZBWCP-YHUYYLMFSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[N@H+](C)C1 ZINC000331491264 484333687 /nfs/dbraw/zinc/33/36/87/484333687.db2.gz JFFMOEIMCZBWCP-YHUYYLMFSA-N 2 1 352.479 -0.284 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)[NH+](C)C1 ZINC000331491264 484333679 /nfs/dbraw/zinc/33/36/79/484333679.db2.gz JFFMOEIMCZBWCP-YHUYYLMFSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331499366 484334037 /nfs/dbraw/zinc/33/40/37/484334037.db2.gz KTHXRUPQSCLEME-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331499366 484334026 /nfs/dbraw/zinc/33/40/26/484334026.db2.gz KTHXRUPQSCLEME-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499366 484334023 /nfs/dbraw/zinc/33/40/23/484334023.db2.gz KTHXRUPQSCLEME-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331499402 484334245 /nfs/dbraw/zinc/33/42/45/484334245.db2.gz KTHXRUPQSCLEME-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331499402 484334242 /nfs/dbraw/zinc/33/42/42/484334242.db2.gz KTHXRUPQSCLEME-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499402 484334238 /nfs/dbraw/zinc/33/42/38/484334238.db2.gz KTHXRUPQSCLEME-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331499412 484333321 /nfs/dbraw/zinc/33/33/21/484333321.db2.gz KTHXRUPQSCLEME-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331499412 484333316 /nfs/dbraw/zinc/33/33/16/484333316.db2.gz KTHXRUPQSCLEME-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499412 484333308 /nfs/dbraw/zinc/33/33/08/484333308.db2.gz KTHXRUPQSCLEME-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331499421 484333783 /nfs/dbraw/zinc/33/37/83/484333783.db2.gz KTHXRUPQSCLEME-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331499421 484333778 /nfs/dbraw/zinc/33/37/78/484333778.db2.gz KTHXRUPQSCLEME-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499421 484333770 /nfs/dbraw/zinc/33/37/70/484333770.db2.gz KTHXRUPQSCLEME-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331511903 484333631 /nfs/dbraw/zinc/33/36/31/484333631.db2.gz UPEWPENHIYUQPW-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331511903 484333622 /nfs/dbraw/zinc/33/36/22/484333622.db2.gz UPEWPENHIYUQPW-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331511908 484333973 /nfs/dbraw/zinc/33/39/73/484333973.db2.gz UPEWPENHIYUQPW-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331511908 484333962 /nfs/dbraw/zinc/33/39/62/484333962.db2.gz UPEWPENHIYUQPW-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331516531 484336304 /nfs/dbraw/zinc/33/63/04/484336304.db2.gz VITACFKVDNSWIH-DZGCQCFKSA-N 2 1 368.478 -0.461 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331516533 484336541 /nfs/dbraw/zinc/33/65/41/484336541.db2.gz VITACFKVDNSWIH-HIFRSBDPSA-N 2 1 368.478 -0.461 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331516535 484336014 /nfs/dbraw/zinc/33/60/14/484336014.db2.gz VITACFKVDNSWIH-UKRRQHHQSA-N 2 1 368.478 -0.461 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331516537 484336280 /nfs/dbraw/zinc/33/62/80/484336280.db2.gz VITACFKVDNSWIH-ZFWWWQNUSA-N 2 1 368.478 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000331557239 484338439 /nfs/dbraw/zinc/33/84/39/484338439.db2.gz GEAIDQQNABIGBL-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000331557243 484337736 /nfs/dbraw/zinc/33/77/36/484337736.db2.gz GEAIDQQNABIGBL-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000331557246 484337255 /nfs/dbraw/zinc/33/72/55/484337255.db2.gz GEAIDQQNABIGBL-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000331557249 484338068 /nfs/dbraw/zinc/33/80/68/484338068.db2.gz GEAIDQQNABIGBL-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1(C)C ZINC000331574577 484339419 /nfs/dbraw/zinc/33/94/19/484339419.db2.gz LZRLDIOGEJMZTK-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1(C)C ZINC000331574577 484339406 /nfs/dbraw/zinc/33/94/06/484339406.db2.gz LZRLDIOGEJMZTK-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1(C)C ZINC000331574577 484339397 /nfs/dbraw/zinc/33/93/97/484339397.db2.gz LZRLDIOGEJMZTK-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1(C)C ZINC000331574577 484339391 /nfs/dbraw/zinc/33/93/91/484339391.db2.gz LZRLDIOGEJMZTK-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1(C)C ZINC000331574581 484340035 /nfs/dbraw/zinc/34/00/35/484340035.db2.gz LZRLDIOGEJMZTK-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1(C)C ZINC000331574581 484340026 /nfs/dbraw/zinc/34/00/26/484340026.db2.gz LZRLDIOGEJMZTK-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1(C)C ZINC000331574581 484340019 /nfs/dbraw/zinc/34/00/19/484340019.db2.gz LZRLDIOGEJMZTK-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1(C)C ZINC000331574581 484340010 /nfs/dbraw/zinc/34/00/10/484340010.db2.gz LZRLDIOGEJMZTK-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000331596819 484343209 /nfs/dbraw/zinc/34/32/09/484343209.db2.gz HWWAIOXDLOCCPW-YESZJQIVSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000331596820 484343435 /nfs/dbraw/zinc/34/34/35/484343435.db2.gz HWWAIOXDLOCCPW-ZACQAIPSSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000331639836 484346770 /nfs/dbraw/zinc/34/67/70/484346770.db2.gz MRDGBKKWYVMEFN-DLBZAZTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000331639837 484345742 /nfs/dbraw/zinc/34/57/42/484345742.db2.gz MRDGBKKWYVMEFN-IAGOWNOFSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000331639838 484347014 /nfs/dbraw/zinc/34/70/14/484347014.db2.gz MRDGBKKWYVMEFN-IRXDYDNUSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000331639839 484346140 /nfs/dbraw/zinc/34/61/40/484346140.db2.gz MRDGBKKWYVMEFN-SJORKVTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331641113 484346200 /nfs/dbraw/zinc/34/62/00/484346200.db2.gz IRJAKYWXDMGJHH-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331641113 484346192 /nfs/dbraw/zinc/34/61/92/484346192.db2.gz IRJAKYWXDMGJHH-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331641113 484346186 /nfs/dbraw/zinc/34/61/86/484346186.db2.gz IRJAKYWXDMGJHH-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331641114 484347217 /nfs/dbraw/zinc/34/72/17/484347217.db2.gz IRJAKYWXDMGJHH-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331641114 484347210 /nfs/dbraw/zinc/34/72/10/484347210.db2.gz IRJAKYWXDMGJHH-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331641114 484347204 /nfs/dbraw/zinc/34/72/04/484347204.db2.gz IRJAKYWXDMGJHH-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331641115 484347081 /nfs/dbraw/zinc/34/70/81/484347081.db2.gz IRJAKYWXDMGJHH-HRCADAONSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331641115 484347078 /nfs/dbraw/zinc/34/70/78/484347078.db2.gz IRJAKYWXDMGJHH-HRCADAONSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331641115 484347073 /nfs/dbraw/zinc/34/70/73/484347073.db2.gz IRJAKYWXDMGJHH-HRCADAONSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331641116 484345965 /nfs/dbraw/zinc/34/59/65/484345965.db2.gz IRJAKYWXDMGJHH-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331641116 484345960 /nfs/dbraw/zinc/34/59/60/484345960.db2.gz IRJAKYWXDMGJHH-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331641116 484345956 /nfs/dbraw/zinc/34/59/56/484345956.db2.gz IRJAKYWXDMGJHH-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000331653220 484347710 /nfs/dbraw/zinc/34/77/10/484347710.db2.gz RVSQBECZZSNGIY-IXDOHACOSA-N 2 1 365.522 -0.047 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)[N@@H+](C)C1 ZINC000331656015 484347920 /nfs/dbraw/zinc/34/79/20/484347920.db2.gz POKXQERXTNCEBL-FZKCQIBNSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)[N@H+](C)C1 ZINC000331656015 484347918 /nfs/dbraw/zinc/34/79/18/484347918.db2.gz POKXQERXTNCEBL-FZKCQIBNSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331656015 484347916 /nfs/dbraw/zinc/34/79/16/484347916.db2.gz POKXQERXTNCEBL-FZKCQIBNSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)[N@@H+](C)C1 ZINC000331656022 484348749 /nfs/dbraw/zinc/34/87/49/484348749.db2.gz POKXQERXTNCEBL-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)[N@H+](C)C1 ZINC000331656022 484348740 /nfs/dbraw/zinc/34/87/40/484348740.db2.gz POKXQERXTNCEBL-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331656022 484348736 /nfs/dbraw/zinc/34/87/36/484348736.db2.gz POKXQERXTNCEBL-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)[N@@H+](C)C1 ZINC000331656073 484348092 /nfs/dbraw/zinc/34/80/92/484348092.db2.gz POKXQERXTNCEBL-VGWMRTNUSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)[N@H+](C)C1 ZINC000331656073 484348086 /nfs/dbraw/zinc/34/80/86/484348086.db2.gz POKXQERXTNCEBL-VGWMRTNUSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331656073 484348081 /nfs/dbraw/zinc/34/80/81/484348081.db2.gz POKXQERXTNCEBL-VGWMRTNUSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)[N@@H+](C)C1 ZINC000331656075 484347860 /nfs/dbraw/zinc/34/78/60/484347860.db2.gz POKXQERXTNCEBL-WCVJEAGWSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)[N@H+](C)C1 ZINC000331656075 484347856 /nfs/dbraw/zinc/34/78/56/484347856.db2.gz POKXQERXTNCEBL-WCVJEAGWSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331656075 484347851 /nfs/dbraw/zinc/34/78/51/484347851.db2.gz POKXQERXTNCEBL-WCVJEAGWSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000331676994 484352215 /nfs/dbraw/zinc/35/22/15/484352215.db2.gz XYEPZCRVRZSWIQ-BBWFWOEESA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000331677002 484351611 /nfs/dbraw/zinc/35/16/11/484351611.db2.gz XYEPZCRVRZSWIQ-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844591 484362588 /nfs/dbraw/zinc/36/25/88/484362588.db2.gz BLMVBZYBXZBJTD-IJEWVQPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844592 484361878 /nfs/dbraw/zinc/36/18/78/484361878.db2.gz BLMVBZYBXZBJTD-LZWOXQAQSA-N 2 1 352.479 -0.188 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847339 484362637 /nfs/dbraw/zinc/36/26/37/484362637.db2.gz FZKRNGKRXHQGIU-QLFBSQMISA-N 2 1 365.478 -0.863 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847342 484362701 /nfs/dbraw/zinc/36/27/01/484362701.db2.gz FZKRNGKRXHQGIU-RBSFLKMASA-N 2 1 365.478 -0.863 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847343 484362470 /nfs/dbraw/zinc/36/24/70/484362470.db2.gz FZKRNGKRXHQGIU-RRFJBIMHSA-N 2 1 365.478 -0.863 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847344 484362091 /nfs/dbraw/zinc/36/20/91/484362091.db2.gz FZKRNGKRXHQGIU-SOUVJXGZSA-N 2 1 365.478 -0.863 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH+](C)C ZINC000331878556 484365348 /nfs/dbraw/zinc/36/53/48/484365348.db2.gz UTXQYVYEJFSDTM-BZUAXINKSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1[NH+](C)C ZINC000331878579 484364866 /nfs/dbraw/zinc/36/48/66/484364866.db2.gz UTXQYVYEJFSDTM-OAGGEKHMSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1[NH+](C)C ZINC000331878583 484365065 /nfs/dbraw/zinc/36/50/65/484365065.db2.gz UTXQYVYEJFSDTM-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1[NH+](C)C ZINC000331878586 484365335 /nfs/dbraw/zinc/36/53/35/484365335.db2.gz UTXQYVYEJFSDTM-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882411 484365186 /nfs/dbraw/zinc/36/51/86/484365186.db2.gz QASBGIBLIDWSHL-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882411 484365184 /nfs/dbraw/zinc/36/51/84/484365184.db2.gz QASBGIBLIDWSHL-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882411 484365180 /nfs/dbraw/zinc/36/51/80/484365180.db2.gz QASBGIBLIDWSHL-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882415 484365509 /nfs/dbraw/zinc/36/55/09/484365509.db2.gz QASBGIBLIDWSHL-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882415 484365504 /nfs/dbraw/zinc/36/55/04/484365504.db2.gz QASBGIBLIDWSHL-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882415 484365500 /nfs/dbraw/zinc/36/55/00/484365500.db2.gz QASBGIBLIDWSHL-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000331898086 484366901 /nfs/dbraw/zinc/36/69/01/484366901.db2.gz IORWHACJCXMCIL-FMKPAKJESA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000331898089 484367165 /nfs/dbraw/zinc/36/71/65/484367165.db2.gz IORWHACJCXMCIL-IIAWOOMASA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000331898090 484366254 /nfs/dbraw/zinc/36/62/54/484366254.db2.gz IORWHACJCXMCIL-IJEWVQPXSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000331898093 484366986 /nfs/dbraw/zinc/36/69/86/484366986.db2.gz IORWHACJCXMCIL-YCPHGPKFSA-N 2 1 352.479 -0.058 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000331905015 484366145 /nfs/dbraw/zinc/36/61/45/484366145.db2.gz JMGPVTSKNXWKAP-BFJAYTPKSA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000331905015 484366137 /nfs/dbraw/zinc/36/61/37/484366137.db2.gz JMGPVTSKNXWKAP-BFJAYTPKSA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000331905032 484366183 /nfs/dbraw/zinc/36/61/83/484366183.db2.gz JMGPVTSKNXWKAP-DARAHFNDSA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000331905032 484366177 /nfs/dbraw/zinc/36/61/77/484366177.db2.gz JMGPVTSKNXWKAP-DARAHFNDSA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000331905040 484366587 /nfs/dbraw/zinc/36/65/87/484366587.db2.gz JMGPVTSKNXWKAP-LQKXBSAESA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000331905040 484366582 /nfs/dbraw/zinc/36/65/82/484366582.db2.gz JMGPVTSKNXWKAP-LQKXBSAESA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000331905065 484366026 /nfs/dbraw/zinc/36/60/26/484366026.db2.gz JMGPVTSKNXWKAP-LUYZLQTOSA-N 2 1 362.478 -0.386 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000331905065 484366020 /nfs/dbraw/zinc/36/60/20/484366020.db2.gz JMGPVTSKNXWKAP-LUYZLQTOSA-N 2 1 362.478 -0.386 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331917207 484366655 /nfs/dbraw/zinc/36/66/55/484366655.db2.gz SRUXJQREWCGSSU-KKUMJFAQSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331917208 484367113 /nfs/dbraw/zinc/36/71/13/484367113.db2.gz SRUXJQREWCGSSU-RRFJBIMHSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331917209 484366776 /nfs/dbraw/zinc/36/67/76/484366776.db2.gz SRUXJQREWCGSSU-SOUVJXGZSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331917210 484366744 /nfs/dbraw/zinc/36/67/44/484366744.db2.gz SRUXJQREWCGSSU-ZNMIVQPWSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000331923383 484368292 /nfs/dbraw/zinc/36/82/92/484368292.db2.gz UJTNATIOCYQWJQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000331923383 484368285 /nfs/dbraw/zinc/36/82/85/484368285.db2.gz UJTNATIOCYQWJQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000331923386 484367929 /nfs/dbraw/zinc/36/79/29/484367929.db2.gz UJTNATIOCYQWJQ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000331923386 484367923 /nfs/dbraw/zinc/36/79/23/484367923.db2.gz UJTNATIOCYQWJQ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000331923388 484367692 /nfs/dbraw/zinc/36/76/92/484367692.db2.gz UJTNATIOCYQWJQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000331923388 484367684 /nfs/dbraw/zinc/36/76/84/484367684.db2.gz UJTNATIOCYQWJQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000331923389 484368476 /nfs/dbraw/zinc/36/84/76/484368476.db2.gz UJTNATIOCYQWJQ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000331923389 484368468 /nfs/dbraw/zinc/36/84/68/484368468.db2.gz UJTNATIOCYQWJQ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000331927053 484368015 /nfs/dbraw/zinc/36/80/15/484368015.db2.gz NAKLKFKVFAZLEY-ARFHVFGLSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000331927053 484368007 /nfs/dbraw/zinc/36/80/07/484368007.db2.gz NAKLKFKVFAZLEY-ARFHVFGLSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000331927059 484368193 /nfs/dbraw/zinc/36/81/93/484368193.db2.gz NAKLKFKVFAZLEY-XHSDSOJGSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000331927059 484368185 /nfs/dbraw/zinc/36/81/85/484368185.db2.gz NAKLKFKVFAZLEY-XHSDSOJGSA-N 2 1 362.478 -0.528 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000332004029 484372660 /nfs/dbraw/zinc/37/26/60/484372660.db2.gz CATAKBMFAXYZIR-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000332004029 484372655 /nfs/dbraw/zinc/37/26/55/484372655.db2.gz CATAKBMFAXYZIR-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000332004033 484372982 /nfs/dbraw/zinc/37/29/82/484372982.db2.gz CATAKBMFAXYZIR-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000332004033 484372973 /nfs/dbraw/zinc/37/29/73/484372973.db2.gz CATAKBMFAXYZIR-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000332004038 484372369 /nfs/dbraw/zinc/37/23/69/484372369.db2.gz CATAKBMFAXYZIR-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000332004038 484372360 /nfs/dbraw/zinc/37/23/60/484372360.db2.gz CATAKBMFAXYZIR-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000332004042 484372318 /nfs/dbraw/zinc/37/23/18/484372318.db2.gz CATAKBMFAXYZIR-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000332004042 484372313 /nfs/dbraw/zinc/37/23/13/484372313.db2.gz CATAKBMFAXYZIR-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332014341 484373425 /nfs/dbraw/zinc/37/34/25/484373425.db2.gz HGQBCWUPKLELMJ-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332014341 484373419 /nfs/dbraw/zinc/37/34/19/484373419.db2.gz HGQBCWUPKLELMJ-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332014343 484372806 /nfs/dbraw/zinc/37/28/06/484372806.db2.gz HGQBCWUPKLELMJ-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332014343 484372802 /nfs/dbraw/zinc/37/28/02/484372802.db2.gz HGQBCWUPKLELMJ-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332014345 484373314 /nfs/dbraw/zinc/37/33/14/484373314.db2.gz HGQBCWUPKLELMJ-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332014345 484373309 /nfs/dbraw/zinc/37/33/09/484373309.db2.gz HGQBCWUPKLELMJ-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332014348 484373577 /nfs/dbraw/zinc/37/35/77/484373577.db2.gz HGQBCWUPKLELMJ-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332014348 484373570 /nfs/dbraw/zinc/37/35/70/484373570.db2.gz HGQBCWUPKLELMJ-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332044696 484374598 /nfs/dbraw/zinc/37/45/98/484374598.db2.gz KIZILFINHNXCFO-GDBMZVCRSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332044697 484375123 /nfs/dbraw/zinc/37/51/23/484375123.db2.gz KIZILFINHNXCFO-GOEBONIOSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332044698 484375078 /nfs/dbraw/zinc/37/50/78/484375078.db2.gz KIZILFINHNXCFO-HOCLYGCPSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332044699 484374962 /nfs/dbraw/zinc/37/49/62/484374962.db2.gz KIZILFINHNXCFO-ZBFHGGJFSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000332045731 484373996 /nfs/dbraw/zinc/37/39/96/484373996.db2.gz KLDHHDBVTBOSMV-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332046382 484374698 /nfs/dbraw/zinc/37/46/98/484374698.db2.gz SILDHEIAHAMDNB-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332046382 484374695 /nfs/dbraw/zinc/37/46/95/484374695.db2.gz SILDHEIAHAMDNB-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332046382 484374686 /nfs/dbraw/zinc/37/46/86/484374686.db2.gz SILDHEIAHAMDNB-ARFHVFGLSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332046385 484375046 /nfs/dbraw/zinc/37/50/46/484375046.db2.gz SILDHEIAHAMDNB-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332046385 484375039 /nfs/dbraw/zinc/37/50/39/484375039.db2.gz SILDHEIAHAMDNB-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000332046385 484375032 /nfs/dbraw/zinc/37/50/32/484375032.db2.gz SILDHEIAHAMDNB-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332047151 484375273 /nfs/dbraw/zinc/37/52/73/484375273.db2.gz SILDHEIAHAMDNB-OAGGEKHMSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332047151 484375267 /nfs/dbraw/zinc/37/52/67/484375267.db2.gz SILDHEIAHAMDNB-OAGGEKHMSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000332047151 484375261 /nfs/dbraw/zinc/37/52/61/484375261.db2.gz SILDHEIAHAMDNB-OAGGEKHMSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332047153 484373956 /nfs/dbraw/zinc/37/39/56/484373956.db2.gz SILDHEIAHAMDNB-XHSDSOJGSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332047153 484373951 /nfs/dbraw/zinc/37/39/51/484373951.db2.gz SILDHEIAHAMDNB-XHSDSOJGSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332047153 484373946 /nfs/dbraw/zinc/37/39/46/484373946.db2.gz SILDHEIAHAMDNB-XHSDSOJGSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000332051171 484377016 /nfs/dbraw/zinc/37/70/16/484377016.db2.gz LXYAVQQZRWWFEV-DZKIICNBSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000332051173 484377108 /nfs/dbraw/zinc/37/71/08/484377108.db2.gz LXYAVQQZRWWFEV-IJEWVQPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000332051175 484376706 /nfs/dbraw/zinc/37/67/06/484376706.db2.gz LXYAVQQZRWWFEV-OFQRWUPVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000332051176 484376926 /nfs/dbraw/zinc/37/69/26/484376926.db2.gz LXYAVQQZRWWFEV-YCPHGPKFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000332063118 484377179 /nfs/dbraw/zinc/37/71/79/484377179.db2.gz RLCJOKRZUWACJM-CAOSSQGBSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000332063118 484377170 /nfs/dbraw/zinc/37/71/70/484377170.db2.gz RLCJOKRZUWACJM-CAOSSQGBSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000332063118 484377164 /nfs/dbraw/zinc/37/71/64/484377164.db2.gz RLCJOKRZUWACJM-CAOSSQGBSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000332063118 484377157 /nfs/dbraw/zinc/37/71/57/484377157.db2.gz RLCJOKRZUWACJM-CAOSSQGBSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000332063120 484376615 /nfs/dbraw/zinc/37/66/15/484376615.db2.gz RLCJOKRZUWACJM-JONQDZQNSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000332063120 484376609 /nfs/dbraw/zinc/37/66/09/484376609.db2.gz RLCJOKRZUWACJM-JONQDZQNSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000332063120 484376601 /nfs/dbraw/zinc/37/66/01/484376601.db2.gz RLCJOKRZUWACJM-JONQDZQNSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000332063120 484376592 /nfs/dbraw/zinc/37/65/92/484376592.db2.gz RLCJOKRZUWACJM-JONQDZQNSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1C ZINC000332063122 484376273 /nfs/dbraw/zinc/37/62/73/484376273.db2.gz RLCJOKRZUWACJM-QKPAOTATSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C ZINC000332063122 484376268 /nfs/dbraw/zinc/37/62/68/484376268.db2.gz RLCJOKRZUWACJM-QKPAOTATSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H]1C ZINC000332063122 484376258 /nfs/dbraw/zinc/37/62/58/484376258.db2.gz RLCJOKRZUWACJM-QKPAOTATSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H]1C ZINC000332063122 484376251 /nfs/dbraw/zinc/37/62/51/484376251.db2.gz RLCJOKRZUWACJM-QKPAOTATSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000332063125 484377003 /nfs/dbraw/zinc/37/70/03/484377003.db2.gz RLCJOKRZUWACJM-QXSJWSMHSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000332063125 484377000 /nfs/dbraw/zinc/37/70/00/484377000.db2.gz RLCJOKRZUWACJM-QXSJWSMHSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H]1C ZINC000332063125 484376996 /nfs/dbraw/zinc/37/69/96/484376996.db2.gz RLCJOKRZUWACJM-QXSJWSMHSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H]1C ZINC000332063125 484376987 /nfs/dbraw/zinc/37/69/87/484376987.db2.gz RLCJOKRZUWACJM-QXSJWSMHSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000332077142 484378642 /nfs/dbraw/zinc/37/86/42/484378642.db2.gz ZBXLJZGCPVPSRD-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000332082981 484379174 /nfs/dbraw/zinc/37/91/74/484379174.db2.gz AXMMWDKSMRMHCX-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000332082981 484379167 /nfs/dbraw/zinc/37/91/67/484379167.db2.gz AXMMWDKSMRMHCX-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332082981 484379159 /nfs/dbraw/zinc/37/91/59/484379159.db2.gz AXMMWDKSMRMHCX-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000332082982 484379130 /nfs/dbraw/zinc/37/91/30/484379130.db2.gz AXMMWDKSMRMHCX-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000332082982 484379123 /nfs/dbraw/zinc/37/91/23/484379123.db2.gz AXMMWDKSMRMHCX-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332082982 484379116 /nfs/dbraw/zinc/37/91/16/484379116.db2.gz AXMMWDKSMRMHCX-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000332082983 484377958 /nfs/dbraw/zinc/37/79/58/484377958.db2.gz AXMMWDKSMRMHCX-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000332082983 484377953 /nfs/dbraw/zinc/37/79/53/484377953.db2.gz AXMMWDKSMRMHCX-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332082983 484377940 /nfs/dbraw/zinc/37/79/40/484377940.db2.gz AXMMWDKSMRMHCX-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000332082984 484378955 /nfs/dbraw/zinc/37/89/55/484378955.db2.gz AXMMWDKSMRMHCX-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000332082984 484378949 /nfs/dbraw/zinc/37/89/49/484378949.db2.gz AXMMWDKSMRMHCX-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332082984 484378942 /nfs/dbraw/zinc/37/89/42/484378942.db2.gz AXMMWDKSMRMHCX-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332097566 484380539 /nfs/dbraw/zinc/38/05/39/484380539.db2.gz BCHNQYAKHUQETH-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332097567 484380199 /nfs/dbraw/zinc/38/01/99/484380199.db2.gz BCHNQYAKHUQETH-GOEBONIOSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332097568 484380304 /nfs/dbraw/zinc/38/03/04/484380304.db2.gz BCHNQYAKHUQETH-HOCLYGCPSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332097569 484380246 /nfs/dbraw/zinc/38/02/46/484380246.db2.gz BCHNQYAKHUQETH-ZBFHGGJFSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000332102404 484380073 /nfs/dbraw/zinc/38/00/73/484380073.db2.gz YUIDYRJNFLWLFU-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000332102415 484380583 /nfs/dbraw/zinc/38/05/83/484380583.db2.gz YUIDYRJNFLWLFU-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000332102418 484380219 /nfs/dbraw/zinc/38/02/19/484380219.db2.gz YUIDYRJNFLWLFU-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332102419 484380102 /nfs/dbraw/zinc/38/01/02/484380102.db2.gz YUIDYRJNFLWLFU-YCPHGPKFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332116022 535985006 /nfs/dbraw/zinc/98/50/06/535985006.db2.gz BALOPSHVRJEAQZ-CAOSSQGBSA-N 2 1 352.479 -0.513 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332116024 484381833 /nfs/dbraw/zinc/38/18/33/484381833.db2.gz BALOPSHVRJEAQZ-JONQDZQNSA-N 2 1 352.479 -0.513 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332116026 484381937 /nfs/dbraw/zinc/38/19/37/484381937.db2.gz BALOPSHVRJEAQZ-VGWMRTNUSA-N 2 1 352.479 -0.513 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332116028 484381552 /nfs/dbraw/zinc/38/15/52/484381552.db2.gz BALOPSHVRJEAQZ-YHUYYLMFSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000332124799 484381365 /nfs/dbraw/zinc/38/13/65/484381365.db2.gz JBXBZMXOGDMXCL-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000332124803 484382000 /nfs/dbraw/zinc/38/20/00/484382000.db2.gz JBXBZMXOGDMXCL-ZBFHGGJFSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1C ZINC000332149731 484383599 /nfs/dbraw/zinc/38/35/99/484383599.db2.gz IKXQUKCLUVQSAI-CWVYHPPDSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1C ZINC000332149731 484383594 /nfs/dbraw/zinc/38/35/94/484383594.db2.gz IKXQUKCLUVQSAI-CWVYHPPDSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1C ZINC000332149746 484383170 /nfs/dbraw/zinc/38/31/70/484383170.db2.gz IKXQUKCLUVQSAI-GVRJEKJASA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1C ZINC000332149746 484383165 /nfs/dbraw/zinc/38/31/65/484383165.db2.gz IKXQUKCLUVQSAI-GVRJEKJASA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1C ZINC000332149749 484383380 /nfs/dbraw/zinc/38/33/80/484383380.db2.gz IKXQUKCLUVQSAI-QXKUPLGCSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1C ZINC000332149749 484383379 /nfs/dbraw/zinc/38/33/79/484383379.db2.gz IKXQUKCLUVQSAI-QXKUPLGCSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1C ZINC000332149752 484383327 /nfs/dbraw/zinc/38/33/27/484383327.db2.gz IKXQUKCLUVQSAI-YXMSTPNBSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1C ZINC000332149752 484383324 /nfs/dbraw/zinc/38/33/24/484383324.db2.gz IKXQUKCLUVQSAI-YXMSTPNBSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332158160 484383549 /nfs/dbraw/zinc/38/35/49/484383549.db2.gz JZYXNWBHEUIOHB-CAOSSQGBSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332158160 484383542 /nfs/dbraw/zinc/38/35/42/484383542.db2.gz JZYXNWBHEUIOHB-CAOSSQGBSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332158178 484383070 /nfs/dbraw/zinc/38/30/70/484383070.db2.gz JZYXNWBHEUIOHB-FXUDXRNXSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332158178 484383064 /nfs/dbraw/zinc/38/30/64/484383064.db2.gz JZYXNWBHEUIOHB-FXUDXRNXSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332158183 484383486 /nfs/dbraw/zinc/38/34/86/484383486.db2.gz JZYXNWBHEUIOHB-QKPAOTATSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332158183 484383483 /nfs/dbraw/zinc/38/34/83/484383483.db2.gz JZYXNWBHEUIOHB-QKPAOTATSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332158188 484383114 /nfs/dbraw/zinc/38/31/14/484383114.db2.gz JZYXNWBHEUIOHB-YHUYYLMFSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332158188 484383107 /nfs/dbraw/zinc/38/31/07/484383107.db2.gz JZYXNWBHEUIOHB-YHUYYLMFSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332179965 484384574 /nfs/dbraw/zinc/38/45/74/484384574.db2.gz OKHBSTZHKCVCGU-ALYAQQCSSA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332179965 484384568 /nfs/dbraw/zinc/38/45/68/484384568.db2.gz OKHBSTZHKCVCGU-ALYAQQCSSA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332179995 484384110 /nfs/dbraw/zinc/38/41/10/484384110.db2.gz OKHBSTZHKCVCGU-JJTUDDRGSA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332179995 484384102 /nfs/dbraw/zinc/38/41/02/484384102.db2.gz OKHBSTZHKCVCGU-JJTUDDRGSA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332179998 484385249 /nfs/dbraw/zinc/38/52/49/484385249.db2.gz OKHBSTZHKCVCGU-KSWRQPAISA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332179998 484385244 /nfs/dbraw/zinc/38/52/44/484385244.db2.gz OKHBSTZHKCVCGU-KSWRQPAISA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332180000 484384327 /nfs/dbraw/zinc/38/43/27/484384327.db2.gz OKHBSTZHKCVCGU-SIRPWMCASA-N 2 1 366.506 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332180000 484384318 /nfs/dbraw/zinc/38/43/18/484384318.db2.gz OKHBSTZHKCVCGU-SIRPWMCASA-N 2 1 366.506 -0.124 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332201926 484387970 /nfs/dbraw/zinc/38/79/70/484387970.db2.gz IBLVWIPLIRYSDA-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332201928 484387860 /nfs/dbraw/zinc/38/78/60/484387860.db2.gz IBLVWIPLIRYSDA-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000332201931 244914232 /nfs/dbraw/zinc/91/42/32/244914232.db2.gz IBLVWIPLIRYSDA-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000332201933 484388389 /nfs/dbraw/zinc/38/83/89/484388389.db2.gz IBLVWIPLIRYSDA-LSDHHAIUSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332207196 484387773 /nfs/dbraw/zinc/38/77/73/484387773.db2.gz IXIXFDCKWKZEDX-FXUDXRNXSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332207196 484387769 /nfs/dbraw/zinc/38/77/69/484387769.db2.gz IXIXFDCKWKZEDX-FXUDXRNXSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332207198 484387998 /nfs/dbraw/zinc/38/79/98/484387998.db2.gz IXIXFDCKWKZEDX-QKPAOTATSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332207198 484387991 /nfs/dbraw/zinc/38/79/91/484387991.db2.gz IXIXFDCKWKZEDX-QKPAOTATSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332207200 484388227 /nfs/dbraw/zinc/38/82/27/484388227.db2.gz IXIXFDCKWKZEDX-QXSJWSMHSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332207200 484388221 /nfs/dbraw/zinc/38/82/21/484388221.db2.gz IXIXFDCKWKZEDX-QXSJWSMHSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332207202 484387759 /nfs/dbraw/zinc/38/77/59/484387759.db2.gz IXIXFDCKWKZEDX-UGUYLWEFSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332207202 484387754 /nfs/dbraw/zinc/38/77/54/484387754.db2.gz IXIXFDCKWKZEDX-UGUYLWEFSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332212549 484388564 /nfs/dbraw/zinc/38/85/64/484388564.db2.gz KAWMNHLHHHAFCK-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332212549 484388556 /nfs/dbraw/zinc/38/85/56/484388556.db2.gz KAWMNHLHHHAFCK-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332212554 484388065 /nfs/dbraw/zinc/38/80/65/484388065.db2.gz KAWMNHLHHHAFCK-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332212554 484388058 /nfs/dbraw/zinc/38/80/58/484388058.db2.gz KAWMNHLHHHAFCK-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332212559 484388335 /nfs/dbraw/zinc/38/83/35/484388335.db2.gz KAWMNHLHHHAFCK-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332212559 484388328 /nfs/dbraw/zinc/38/83/28/484388328.db2.gz KAWMNHLHHHAFCK-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332212563 244915201 /nfs/dbraw/zinc/91/52/01/244915201.db2.gz KAWMNHLHHHAFCK-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332212563 244915193 /nfs/dbraw/zinc/91/51/93/244915193.db2.gz KAWMNHLHHHAFCK-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332213023 484388119 /nfs/dbraw/zinc/38/81/19/484388119.db2.gz WAUUPLNDTFTJQU-KKUMJFAQSA-N 2 1 352.479 -0.513 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332213024 484388174 /nfs/dbraw/zinc/38/81/74/484388174.db2.gz WAUUPLNDTFTJQU-RRFJBIMHSA-N 2 1 352.479 -0.513 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332213025 484388045 /nfs/dbraw/zinc/38/80/45/484388045.db2.gz WAUUPLNDTFTJQU-SOUVJXGZSA-N 2 1 352.479 -0.513 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332213026 484387932 /nfs/dbraw/zinc/38/79/32/484387932.db2.gz WAUUPLNDTFTJQU-ZNMIVQPWSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332223116 484389048 /nfs/dbraw/zinc/38/90/48/484389048.db2.gz YINUWVWTEVSOLF-NPJQDHAYSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332223116 484389044 /nfs/dbraw/zinc/38/90/44/484389044.db2.gz YINUWVWTEVSOLF-NPJQDHAYSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332223119 484389866 /nfs/dbraw/zinc/38/98/66/484389866.db2.gz YINUWVWTEVSOLF-QRJUGERDSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332223119 484389858 /nfs/dbraw/zinc/38/98/58/484389858.db2.gz YINUWVWTEVSOLF-QRJUGERDSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332223122 484389909 /nfs/dbraw/zinc/38/99/09/484389909.db2.gz YINUWVWTEVSOLF-XFIYOXNOSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332223122 484389902 /nfs/dbraw/zinc/38/99/02/484389902.db2.gz YINUWVWTEVSOLF-XFIYOXNOSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332223124 484389199 /nfs/dbraw/zinc/38/91/99/484389199.db2.gz YINUWVWTEVSOLF-ZVDSWSACSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332223124 484389194 /nfs/dbraw/zinc/38/91/94/484389194.db2.gz YINUWVWTEVSOLF-ZVDSWSACSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332226638 484389004 /nfs/dbraw/zinc/38/90/04/484389004.db2.gz NFBDQGUPGQSOSH-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332226638 484389002 /nfs/dbraw/zinc/38/90/02/484389002.db2.gz NFBDQGUPGQSOSH-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332226641 484389789 /nfs/dbraw/zinc/38/97/89/484389789.db2.gz NFBDQGUPGQSOSH-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332226641 484389783 /nfs/dbraw/zinc/38/97/83/484389783.db2.gz NFBDQGUPGQSOSH-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332226644 484389139 /nfs/dbraw/zinc/38/91/39/484389139.db2.gz NFBDQGUPGQSOSH-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332226644 484389135 /nfs/dbraw/zinc/38/91/35/484389135.db2.gz NFBDQGUPGQSOSH-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332226648 484389512 /nfs/dbraw/zinc/38/95/12/484389512.db2.gz NFBDQGUPGQSOSH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332226648 484389503 /nfs/dbraw/zinc/38/95/03/484389503.db2.gz NFBDQGUPGQSOSH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332254022 484392028 /nfs/dbraw/zinc/39/20/28/484392028.db2.gz UQCTVADRKVQRCJ-FXUDXRNXSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332254022 484392023 /nfs/dbraw/zinc/39/20/23/484392023.db2.gz UQCTVADRKVQRCJ-FXUDXRNXSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332254025 484392889 /nfs/dbraw/zinc/39/28/89/484392889.db2.gz UQCTVADRKVQRCJ-QKPAOTATSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332254025 484392882 /nfs/dbraw/zinc/39/28/82/484392882.db2.gz UQCTVADRKVQRCJ-QKPAOTATSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332254028 484392598 /nfs/dbraw/zinc/39/25/98/484392598.db2.gz UQCTVADRKVQRCJ-QXSJWSMHSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332254028 484392594 /nfs/dbraw/zinc/39/25/94/484392594.db2.gz UQCTVADRKVQRCJ-QXSJWSMHSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332254034 484392419 /nfs/dbraw/zinc/39/24/19/484392419.db2.gz UQCTVADRKVQRCJ-UGUYLWEFSA-N 2 1 366.506 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332254034 484392412 /nfs/dbraw/zinc/39/24/12/484392412.db2.gz UQCTVADRKVQRCJ-UGUYLWEFSA-N 2 1 366.506 -0.124 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000332289977 484395645 /nfs/dbraw/zinc/39/56/45/484395645.db2.gz JIUFQXGUMMCQLM-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000332289977 484395641 /nfs/dbraw/zinc/39/56/41/484395641.db2.gz JIUFQXGUMMCQLM-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000332316471 484398601 /nfs/dbraw/zinc/39/86/01/484398601.db2.gz NRQKEGQQHZXKMR-BZUAXINKSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000332316471 484398597 /nfs/dbraw/zinc/39/85/97/484398597.db2.gz NRQKEGQQHZXKMR-BZUAXINKSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000332316471 484398591 /nfs/dbraw/zinc/39/85/91/484398591.db2.gz NRQKEGQQHZXKMR-BZUAXINKSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000332316471 484398588 /nfs/dbraw/zinc/39/85/88/484398588.db2.gz NRQKEGQQHZXKMR-BZUAXINKSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1CC(C)(C)O ZINC000332316476 484398825 /nfs/dbraw/zinc/39/88/25/484398825.db2.gz NRQKEGQQHZXKMR-OAGGEKHMSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1CC(C)(C)O ZINC000332316476 484398818 /nfs/dbraw/zinc/39/88/18/484398818.db2.gz NRQKEGQQHZXKMR-OAGGEKHMSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1CC(C)(C)O ZINC000332316476 484398810 /nfs/dbraw/zinc/39/88/10/484398810.db2.gz NRQKEGQQHZXKMR-OAGGEKHMSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1CC(C)(C)O ZINC000332316476 484398805 /nfs/dbraw/zinc/39/88/05/484398805.db2.gz NRQKEGQQHZXKMR-OAGGEKHMSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000332316480 484398143 /nfs/dbraw/zinc/39/81/43/484398143.db2.gz NRQKEGQQHZXKMR-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000332316480 484398140 /nfs/dbraw/zinc/39/81/40/484398140.db2.gz NRQKEGQQHZXKMR-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000332316480 484398136 /nfs/dbraw/zinc/39/81/36/484398136.db2.gz NRQKEGQQHZXKMR-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000332316480 484398134 /nfs/dbraw/zinc/39/81/34/484398134.db2.gz NRQKEGQQHZXKMR-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332316791 484398963 /nfs/dbraw/zinc/39/89/63/484398963.db2.gz OAOQMNUVZLWIMC-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332316791 484398957 /nfs/dbraw/zinc/39/89/57/484398957.db2.gz OAOQMNUVZLWIMC-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332316791 484398951 /nfs/dbraw/zinc/39/89/51/484398951.db2.gz OAOQMNUVZLWIMC-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332316791 484398945 /nfs/dbraw/zinc/39/89/45/484398945.db2.gz OAOQMNUVZLWIMC-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332316794 484398673 /nfs/dbraw/zinc/39/86/73/484398673.db2.gz OAOQMNUVZLWIMC-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332316794 484398669 /nfs/dbraw/zinc/39/86/69/484398669.db2.gz OAOQMNUVZLWIMC-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332316794 484398662 /nfs/dbraw/zinc/39/86/62/484398662.db2.gz OAOQMNUVZLWIMC-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332316794 484398659 /nfs/dbraw/zinc/39/86/59/484398659.db2.gz OAOQMNUVZLWIMC-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1CC(C)(C)O ZINC000332317067 484398310 /nfs/dbraw/zinc/39/83/10/484398310.db2.gz NRQKEGQQHZXKMR-PMPSAXMXSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1CC(C)(C)O ZINC000332317067 484398305 /nfs/dbraw/zinc/39/83/05/484398305.db2.gz NRQKEGQQHZXKMR-PMPSAXMXSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1CC(C)(C)O ZINC000332317067 484398303 /nfs/dbraw/zinc/39/83/03/484398303.db2.gz NRQKEGQQHZXKMR-PMPSAXMXSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1CC(C)(C)O ZINC000332317067 484398301 /nfs/dbraw/zinc/39/83/01/484398301.db2.gz NRQKEGQQHZXKMR-PMPSAXMXSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332320119 484398351 /nfs/dbraw/zinc/39/83/51/484398351.db2.gz VREPZNJMPCQYIS-IJEWVQPXSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332320121 484398995 /nfs/dbraw/zinc/39/89/95/484398995.db2.gz VREPZNJMPCQYIS-LZWOXQAQSA-N 2 1 352.479 -0.106 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000332360693 484404263 /nfs/dbraw/zinc/40/42/63/484404263.db2.gz CQQBWOCWCWPEPX-INIZCTEOSA-N 2 1 366.506 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000332360701 484403519 /nfs/dbraw/zinc/40/35/19/484403519.db2.gz CQQBWOCWCWPEPX-MRXNPFEDSA-N 2 1 366.506 -0.250 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1C[C@H](C)O ZINC000332361565 484403866 /nfs/dbraw/zinc/40/38/66/484403866.db2.gz WOYKIIIZZVUEOB-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1C[C@H](C)O ZINC000332361565 484403861 /nfs/dbraw/zinc/40/38/61/484403861.db2.gz WOYKIIIZZVUEOB-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1C[C@H](C)O ZINC000332361565 484403856 /nfs/dbraw/zinc/40/38/56/484403856.db2.gz WOYKIIIZZVUEOB-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1C[C@H](C)O ZINC000332361565 484403851 /nfs/dbraw/zinc/40/38/51/484403851.db2.gz WOYKIIIZZVUEOB-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1C[C@H](C)O ZINC000332361569 484404183 /nfs/dbraw/zinc/40/41/83/484404183.db2.gz WOYKIIIZZVUEOB-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1C[C@H](C)O ZINC000332361569 484404178 /nfs/dbraw/zinc/40/41/78/484404178.db2.gz WOYKIIIZZVUEOB-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1C[C@H](C)O ZINC000332361569 484404172 /nfs/dbraw/zinc/40/41/72/484404172.db2.gz WOYKIIIZZVUEOB-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1C[C@H](C)O ZINC000332361569 484404167 /nfs/dbraw/zinc/40/41/67/484404167.db2.gz WOYKIIIZZVUEOB-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1C[C@@H](C)O ZINC000332361572 484403818 /nfs/dbraw/zinc/40/38/18/484403818.db2.gz WOYKIIIZZVUEOB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1C[C@@H](C)O ZINC000332361572 484403814 /nfs/dbraw/zinc/40/38/14/484403814.db2.gz WOYKIIIZZVUEOB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1C[C@@H](C)O ZINC000332361572 484403810 /nfs/dbraw/zinc/40/38/10/484403810.db2.gz WOYKIIIZZVUEOB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1C[C@@H](C)O ZINC000332361572 484403804 /nfs/dbraw/zinc/40/38/04/484403804.db2.gz WOYKIIIZZVUEOB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1C[C@@H](C)O ZINC000332361576 484402659 /nfs/dbraw/zinc/40/26/59/484402659.db2.gz WOYKIIIZZVUEOB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1C[C@@H](C)O ZINC000332361576 484402654 /nfs/dbraw/zinc/40/26/54/484402654.db2.gz WOYKIIIZZVUEOB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1C[C@@H](C)O ZINC000332361576 484402649 /nfs/dbraw/zinc/40/26/49/484402649.db2.gz WOYKIIIZZVUEOB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1C[C@@H](C)O ZINC000332361576 484402645 /nfs/dbraw/zinc/40/26/45/484402645.db2.gz WOYKIIIZZVUEOB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332362304 484402881 /nfs/dbraw/zinc/40/28/81/484402881.db2.gz CZAWGWLDHHCEFK-HLLBOEOZSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332362304 484402874 /nfs/dbraw/zinc/40/28/74/484402874.db2.gz CZAWGWLDHHCEFK-HLLBOEOZSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332362306 484403967 /nfs/dbraw/zinc/40/39/67/484403967.db2.gz CZAWGWLDHHCEFK-VYDXJSESSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332362306 484403962 /nfs/dbraw/zinc/40/39/62/484403962.db2.gz CZAWGWLDHHCEFK-VYDXJSESSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332362309 484403665 /nfs/dbraw/zinc/40/36/65/484403665.db2.gz CZAWGWLDHHCEFK-YQQAZPJKSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332362309 484403662 /nfs/dbraw/zinc/40/36/62/484403662.db2.gz CZAWGWLDHHCEFK-YQQAZPJKSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332362311 484403283 /nfs/dbraw/zinc/40/32/83/484403283.db2.gz CZAWGWLDHHCEFK-ZOBUZTSGSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332362311 484403275 /nfs/dbraw/zinc/40/32/75/484403275.db2.gz CZAWGWLDHHCEFK-ZOBUZTSGSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@@H]1C ZINC000332365033 484403721 /nfs/dbraw/zinc/40/37/21/484403721.db2.gz PMFFRNZEBQLRMM-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@@H]1C ZINC000332365033 484403719 /nfs/dbraw/zinc/40/37/19/484403719.db2.gz PMFFRNZEBQLRMM-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@@H]1C ZINC000332365033 484403715 /nfs/dbraw/zinc/40/37/15/484403715.db2.gz PMFFRNZEBQLRMM-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@@H]1C ZINC000332365033 484403711 /nfs/dbraw/zinc/40/37/11/484403711.db2.gz PMFFRNZEBQLRMM-MWDXBVQZSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@@H]1C ZINC000332365034 484402809 /nfs/dbraw/zinc/40/28/09/484402809.db2.gz PMFFRNZEBQLRMM-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@@H]1C ZINC000332365034 484402802 /nfs/dbraw/zinc/40/28/02/484402802.db2.gz PMFFRNZEBQLRMM-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@@H]1C ZINC000332365034 484402797 /nfs/dbraw/zinc/40/27/97/484402797.db2.gz PMFFRNZEBQLRMM-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@@H]1C ZINC000332365034 484402790 /nfs/dbraw/zinc/40/27/90/484402790.db2.gz PMFFRNZEBQLRMM-NXOAAHMSSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H]1C ZINC000332365035 484403122 /nfs/dbraw/zinc/40/31/22/484403122.db2.gz PMFFRNZEBQLRMM-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H]1C ZINC000332365035 484403116 /nfs/dbraw/zinc/40/31/16/484403116.db2.gz PMFFRNZEBQLRMM-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H]1C ZINC000332365035 484403109 /nfs/dbraw/zinc/40/31/09/484403109.db2.gz PMFFRNZEBQLRMM-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H]1C ZINC000332365035 484403103 /nfs/dbraw/zinc/40/31/03/484403103.db2.gz PMFFRNZEBQLRMM-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H]1C ZINC000332365036 484403491 /nfs/dbraw/zinc/40/34/91/484403491.db2.gz PMFFRNZEBQLRMM-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H]1C ZINC000332365036 484403485 /nfs/dbraw/zinc/40/34/85/484403485.db2.gz PMFFRNZEBQLRMM-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H]1C ZINC000332365036 484403481 /nfs/dbraw/zinc/40/34/81/484403481.db2.gz PMFFRNZEBQLRMM-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H]1C ZINC000332365036 484403476 /nfs/dbraw/zinc/40/34/76/484403476.db2.gz PMFFRNZEBQLRMM-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)CC1 ZINC000332368593 484405675 /nfs/dbraw/zinc/40/56/75/484405675.db2.gz UQXSNHHLDWFGQU-BRWVUGGUSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332368598 484405214 /nfs/dbraw/zinc/40/52/14/484405214.db2.gz UQXSNHHLDWFGQU-GVDBMIGSSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)CC1 ZINC000332368600 484405054 /nfs/dbraw/zinc/40/50/54/484405054.db2.gz UQXSNHHLDWFGQU-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332368601 484404701 /nfs/dbraw/zinc/40/47/01/484404701.db2.gz UQXSNHHLDWFGQU-YESZJQIVSA-N 2 1 365.522 -0.176 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000332374690 244932922 /nfs/dbraw/zinc/93/29/22/244932922.db2.gz GCBSVOCVWWBFMP-INIZCTEOSA-N 2 1 351.495 -0.707 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000332374693 484404878 /nfs/dbraw/zinc/40/48/78/484404878.db2.gz GCBSVOCVWWBFMP-MRXNPFEDSA-N 2 1 351.495 -0.707 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H](C)[NH+]1CCO ZINC000332384266 484405496 /nfs/dbraw/zinc/40/54/96/484405496.db2.gz TZGRWUIROMWJEB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H](C)[NH+]1CCO ZINC000332384266 484405493 /nfs/dbraw/zinc/40/54/93/484405493.db2.gz TZGRWUIROMWJEB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)[N@@H+]1CCO ZINC000332384266 484405488 /nfs/dbraw/zinc/40/54/88/484405488.db2.gz TZGRWUIROMWJEB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)[N@H+]1CCO ZINC000332384266 484405484 /nfs/dbraw/zinc/40/54/84/484405484.db2.gz TZGRWUIROMWJEB-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C[C@H](C)[NH+]1CCO ZINC000332384269 484405197 /nfs/dbraw/zinc/40/51/97/484405197.db2.gz TZGRWUIROMWJEB-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C[C@H](C)[NH+]1CCO ZINC000332384269 484405189 /nfs/dbraw/zinc/40/51/89/484405189.db2.gz TZGRWUIROMWJEB-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C[C@H](C)[N@@H+]1CCO ZINC000332384269 484405180 /nfs/dbraw/zinc/40/51/80/484405180.db2.gz TZGRWUIROMWJEB-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C[C@H](C)[N@H+]1CCO ZINC000332384269 484405175 /nfs/dbraw/zinc/40/51/75/484405175.db2.gz TZGRWUIROMWJEB-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C[C@H](C)[NH+]1CCO ZINC000332384272 484405470 /nfs/dbraw/zinc/40/54/70/484405470.db2.gz TZGRWUIROMWJEB-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C[C@H](C)[NH+]1CCO ZINC000332384272 484405466 /nfs/dbraw/zinc/40/54/66/484405466.db2.gz TZGRWUIROMWJEB-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)[N@@H+]1CCO ZINC000332384272 484405460 /nfs/dbraw/zinc/40/54/60/484405460.db2.gz TZGRWUIROMWJEB-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)[N@H+]1CCO ZINC000332384272 484405455 /nfs/dbraw/zinc/40/54/55/484405455.db2.gz TZGRWUIROMWJEB-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H](C)[NH+]1CCO ZINC000332384275 484404854 /nfs/dbraw/zinc/40/48/54/484404854.db2.gz TZGRWUIROMWJEB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H](C)[NH+]1CCO ZINC000332384275 484404848 /nfs/dbraw/zinc/40/48/48/484404848.db2.gz TZGRWUIROMWJEB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)[N@@H+]1CCO ZINC000332384275 484404842 /nfs/dbraw/zinc/40/48/42/484404842.db2.gz TZGRWUIROMWJEB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)[N@H+]1CCO ZINC000332384275 484404838 /nfs/dbraw/zinc/40/48/38/484404838.db2.gz TZGRWUIROMWJEB-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000332388314 484406541 /nfs/dbraw/zinc/40/65/41/484406541.db2.gz CHMXTZZBYDDCAA-CVEARBPZSA-N 2 1 366.506 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000332388315 484407082 /nfs/dbraw/zinc/40/70/82/484407082.db2.gz CHMXTZZBYDDCAA-HOTGVXAUSA-N 2 1 366.506 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000332388316 484406797 /nfs/dbraw/zinc/40/67/97/484406797.db2.gz CHMXTZZBYDDCAA-HZPDHXFCSA-N 2 1 366.506 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000332388317 484406834 /nfs/dbraw/zinc/40/68/34/484406834.db2.gz CHMXTZZBYDDCAA-JKSUJKDBSA-N 2 1 366.506 -0.250 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332391762 484406472 /nfs/dbraw/zinc/40/64/72/484406472.db2.gz KHSDWIGEGRAQNU-HLLBOEOZSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332391762 484406467 /nfs/dbraw/zinc/40/64/67/484406467.db2.gz KHSDWIGEGRAQNU-HLLBOEOZSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332391763 484407328 /nfs/dbraw/zinc/40/73/28/484407328.db2.gz KHSDWIGEGRAQNU-VYDXJSESSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332391763 484407322 /nfs/dbraw/zinc/40/73/22/484407322.db2.gz KHSDWIGEGRAQNU-VYDXJSESSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332391764 484407386 /nfs/dbraw/zinc/40/73/86/484407386.db2.gz KHSDWIGEGRAQNU-YQQAZPJKSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332391764 484407379 /nfs/dbraw/zinc/40/73/79/484407379.db2.gz KHSDWIGEGRAQNU-YQQAZPJKSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332391765 484406936 /nfs/dbraw/zinc/40/69/36/484406936.db2.gz KHSDWIGEGRAQNU-ZOBUZTSGSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332391765 484406928 /nfs/dbraw/zinc/40/69/28/484406928.db2.gz KHSDWIGEGRAQNU-ZOBUZTSGSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000332392101 484407526 /nfs/dbraw/zinc/40/75/26/484407526.db2.gz XIGFOHOZZUVOCO-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000332392101 484407524 /nfs/dbraw/zinc/40/75/24/484407524.db2.gz XIGFOHOZZUVOCO-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000332392105 484407471 /nfs/dbraw/zinc/40/74/71/484407471.db2.gz XIGFOHOZZUVOCO-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000332392105 484407464 /nfs/dbraw/zinc/40/74/64/484407464.db2.gz XIGFOHOZZUVOCO-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000332392109 484406674 /nfs/dbraw/zinc/40/66/74/484406674.db2.gz XIGFOHOZZUVOCO-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000332392109 484406668 /nfs/dbraw/zinc/40/66/68/484406668.db2.gz XIGFOHOZZUVOCO-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000332392112 244936710 /nfs/dbraw/zinc/93/67/10/244936710.db2.gz XIGFOHOZZUVOCO-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000332392112 244936704 /nfs/dbraw/zinc/93/67/04/244936704.db2.gz XIGFOHOZZUVOCO-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCO1 ZINC000332394982 484407354 /nfs/dbraw/zinc/40/73/54/484407354.db2.gz WPMMCNREKSGXDX-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCO1 ZINC000332394984 484407688 /nfs/dbraw/zinc/40/76/88/484407688.db2.gz WPMMCNREKSGXDX-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCO1 ZINC000332394986 484406609 /nfs/dbraw/zinc/40/66/09/484406609.db2.gz WPMMCNREKSGXDX-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCO1 ZINC000332394988 484406908 /nfs/dbraw/zinc/40/69/08/484406908.db2.gz WPMMCNREKSGXDX-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332398070 484407277 /nfs/dbraw/zinc/40/72/77/484407277.db2.gz MDWLXFMXPSAEAU-HRCADAONSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332398070 484407270 /nfs/dbraw/zinc/40/72/70/484407270.db2.gz MDWLXFMXPSAEAU-HRCADAONSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332398076 484406972 /nfs/dbraw/zinc/40/69/72/484406972.db2.gz MDWLXFMXPSAEAU-JYJNAYRXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332398076 484406968 /nfs/dbraw/zinc/40/69/68/484406968.db2.gz MDWLXFMXPSAEAU-JYJNAYRXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332398081 484406851 /nfs/dbraw/zinc/40/68/51/484406851.db2.gz MDWLXFMXPSAEAU-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332398081 484406846 /nfs/dbraw/zinc/40/68/46/484406846.db2.gz MDWLXFMXPSAEAU-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332398085 484407407 /nfs/dbraw/zinc/40/74/07/484407407.db2.gz MDWLXFMXPSAEAU-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332398085 484407401 /nfs/dbraw/zinc/40/74/01/484407401.db2.gz MDWLXFMXPSAEAU-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406503 484408586 /nfs/dbraw/zinc/40/85/86/484408586.db2.gz ZYLQQDJMYHMDLV-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406503 484408581 /nfs/dbraw/zinc/40/85/81/484408581.db2.gz ZYLQQDJMYHMDLV-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406507 484408657 /nfs/dbraw/zinc/40/86/57/484408657.db2.gz ZYLQQDJMYHMDLV-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406507 484408652 /nfs/dbraw/zinc/40/86/52/484408652.db2.gz ZYLQQDJMYHMDLV-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406510 484408936 /nfs/dbraw/zinc/40/89/36/484408936.db2.gz ZYLQQDJMYHMDLV-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406510 484408933 /nfs/dbraw/zinc/40/89/33/484408933.db2.gz ZYLQQDJMYHMDLV-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406513 484408136 /nfs/dbraw/zinc/40/81/36/484408136.db2.gz ZYLQQDJMYHMDLV-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000332406513 484408130 /nfs/dbraw/zinc/40/81/30/484408130.db2.gz ZYLQQDJMYHMDLV-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000332418354 484410036 /nfs/dbraw/zinc/41/00/36/484410036.db2.gz VPPBKZZSRZYTKS-HLLBOEOZSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)[N@H+]1CCO ZINC000332418354 484410033 /nfs/dbraw/zinc/41/00/33/484410033.db2.gz VPPBKZZSRZYTKS-HLLBOEOZSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000332418355 484410108 /nfs/dbraw/zinc/41/01/08/484410108.db2.gz VPPBKZZSRZYTKS-UXLLHSPISA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)[N@H+]1CCO ZINC000332418355 484410106 /nfs/dbraw/zinc/41/01/06/484410106.db2.gz VPPBKZZSRZYTKS-UXLLHSPISA-N 2 1 366.506 -0.110 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332426809 484410131 /nfs/dbraw/zinc/41/01/31/484410131.db2.gz YINMJIPGKPSOQY-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332426809 484410123 /nfs/dbraw/zinc/41/01/23/484410123.db2.gz YINMJIPGKPSOQY-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332426810 484410336 /nfs/dbraw/zinc/41/03/36/484410336.db2.gz YINMJIPGKPSOQY-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332426810 484410329 /nfs/dbraw/zinc/41/03/29/484410329.db2.gz YINMJIPGKPSOQY-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332426811 484410316 /nfs/dbraw/zinc/41/03/16/484410316.db2.gz YINMJIPGKPSOQY-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332426811 484410312 /nfs/dbraw/zinc/41/03/12/484410312.db2.gz YINMJIPGKPSOQY-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332426813 484410189 /nfs/dbraw/zinc/41/01/89/484410189.db2.gz YINMJIPGKPSOQY-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332426813 484410185 /nfs/dbraw/zinc/41/01/85/484410185.db2.gz YINMJIPGKPSOQY-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000332426815 484410604 /nfs/dbraw/zinc/41/06/04/484410604.db2.gz YIYITSOUVQZWCL-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000332426816 484410001 /nfs/dbraw/zinc/41/00/01/484410001.db2.gz YIYITSOUVQZWCL-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000332468842 484413059 /nfs/dbraw/zinc/41/30/59/484413059.db2.gz MBYAMCZAQQLIRJ-BZUAXINKSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000332468866 484413364 /nfs/dbraw/zinc/41/33/64/484413364.db2.gz MBYAMCZAQQLIRJ-OAGGEKHMSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000332468867 484414151 /nfs/dbraw/zinc/41/41/51/484414151.db2.gz MBYAMCZAQQLIRJ-OWCLPIDISA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000332468868 484414084 /nfs/dbraw/zinc/41/40/84/484414084.db2.gz MBYAMCZAQQLIRJ-PMPSAXMXSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332475644 484414569 /nfs/dbraw/zinc/41/45/69/484414569.db2.gz OSJXSWVYNNTYQD-ARFHVFGLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332475647 484415722 /nfs/dbraw/zinc/41/57/22/484415722.db2.gz OSJXSWVYNNTYQD-HRCADAONSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332475648 244946740 /nfs/dbraw/zinc/94/67/40/244946740.db2.gz OSJXSWVYNNTYQD-JYJNAYRXSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332475649 484415203 /nfs/dbraw/zinc/41/52/03/484415203.db2.gz OSJXSWVYNNTYQD-XHSDSOJGSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332477906 484415249 /nfs/dbraw/zinc/41/52/49/484415249.db2.gz YFRBRYJJTHVVGK-NXOAAHMSSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332477906 484415246 /nfs/dbraw/zinc/41/52/46/484415246.db2.gz YFRBRYJJTHVVGK-NXOAAHMSSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332477910 484415539 /nfs/dbraw/zinc/41/55/39/484415539.db2.gz YFRBRYJJTHVVGK-QAETUUGQSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332477910 484415528 /nfs/dbraw/zinc/41/55/28/484415528.db2.gz YFRBRYJJTHVVGK-QAETUUGQSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332477917 484414870 /nfs/dbraw/zinc/41/48/70/484414870.db2.gz YFRBRYJJTHVVGK-QZWWFDLISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332477917 484414863 /nfs/dbraw/zinc/41/48/63/484414863.db2.gz YFRBRYJJTHVVGK-QZWWFDLISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332477919 484415311 /nfs/dbraw/zinc/41/53/11/484415311.db2.gz YFRBRYJJTHVVGK-TWMKSMIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332477919 484415309 /nfs/dbraw/zinc/41/53/09/484415309.db2.gz YFRBRYJJTHVVGK-TWMKSMIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000332478156 484414901 /nfs/dbraw/zinc/41/49/01/484414901.db2.gz PNMYMUCXENVAIN-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000332478175 484415753 /nfs/dbraw/zinc/41/57/53/484415753.db2.gz PNMYMUCXENVAIN-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000332478179 484415732 /nfs/dbraw/zinc/41/57/32/484415732.db2.gz PNMYMUCXENVAIN-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000332478182 484415404 /nfs/dbraw/zinc/41/54/04/484415404.db2.gz PNMYMUCXENVAIN-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000332489278 484416866 /nfs/dbraw/zinc/41/68/66/484416866.db2.gz UNVRUDZCOHFRLC-CABCVRRESA-N 2 1 365.478 -0.909 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000332489282 484416386 /nfs/dbraw/zinc/41/63/86/484416386.db2.gz UNVRUDZCOHFRLC-GJZGRUSLSA-N 2 1 365.478 -0.909 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000332489284 484416794 /nfs/dbraw/zinc/41/67/94/484416794.db2.gz UNVRUDZCOHFRLC-HUUCEWRRSA-N 2 1 365.478 -0.909 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000332489286 484417195 /nfs/dbraw/zinc/41/71/95/484417195.db2.gz UNVRUDZCOHFRLC-LSDHHAIUSA-N 2 1 365.478 -0.909 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332496912 244948195 /nfs/dbraw/zinc/94/81/95/244948195.db2.gz FBGYACANBIREAD-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332496914 484417152 /nfs/dbraw/zinc/41/71/52/484417152.db2.gz FBGYACANBIREAD-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332505115 484418720 /nfs/dbraw/zinc/41/87/20/484418720.db2.gz HULZQPYQRACMFT-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332505118 484417863 /nfs/dbraw/zinc/41/78/63/484417863.db2.gz HULZQPYQRACMFT-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)[NH2+]1 ZINC000332531642 484421581 /nfs/dbraw/zinc/42/15/81/484421581.db2.gz HJAFEYLCJRKQAJ-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000332531645 484421270 /nfs/dbraw/zinc/42/12/70/484421270.db2.gz HJAFEYLCJRKQAJ-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000332531649 484421337 /nfs/dbraw/zinc/42/13/37/484421337.db2.gz HJAFEYLCJRKQAJ-SOUVJXGZSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000332555134 484424396 /nfs/dbraw/zinc/42/43/96/484424396.db2.gz RNWWSUCNVPESMX-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000332555147 484424685 /nfs/dbraw/zinc/42/46/85/484424685.db2.gz RNWWSUCNVPESMX-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332558707 484423870 /nfs/dbraw/zinc/42/38/70/484423870.db2.gz TZFFQAPVAMAYEH-CABCVRRESA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332558708 484424178 /nfs/dbraw/zinc/42/41/78/484424178.db2.gz TZFFQAPVAMAYEH-GJZGRUSLSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332558709 484424616 /nfs/dbraw/zinc/42/46/16/484424616.db2.gz TZFFQAPVAMAYEH-HUUCEWRRSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332558710 484424085 /nfs/dbraw/zinc/42/40/85/484424085.db2.gz TZFFQAPVAMAYEH-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332563210 484425440 /nfs/dbraw/zinc/42/54/40/484425440.db2.gz WCZWSFNFJJALRT-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571054 484425171 /nfs/dbraw/zinc/42/51/71/484425171.db2.gz AZOCEEWFZQAETI-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571054 484425167 /nfs/dbraw/zinc/42/51/67/484425167.db2.gz AZOCEEWFZQAETI-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000332571054 484425165 /nfs/dbraw/zinc/42/51/65/484425165.db2.gz AZOCEEWFZQAETI-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000332571054 484425161 /nfs/dbraw/zinc/42/51/61/484425161.db2.gz AZOCEEWFZQAETI-TWMKSMIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571059 484426188 /nfs/dbraw/zinc/42/61/88/484426188.db2.gz AZOCEEWFZQAETI-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571059 484426185 /nfs/dbraw/zinc/42/61/85/484426185.db2.gz AZOCEEWFZQAETI-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000332571059 484426183 /nfs/dbraw/zinc/42/61/83/484426183.db2.gz AZOCEEWFZQAETI-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000332571059 484426178 /nfs/dbraw/zinc/42/61/78/484426178.db2.gz AZOCEEWFZQAETI-VVLHAWIVSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571062 484426014 /nfs/dbraw/zinc/42/60/14/484426014.db2.gz AZOCEEWFZQAETI-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571062 484426009 /nfs/dbraw/zinc/42/60/09/484426009.db2.gz AZOCEEWFZQAETI-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000332571062 484426004 /nfs/dbraw/zinc/42/60/04/484426004.db2.gz AZOCEEWFZQAETI-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000332571062 484425999 /nfs/dbraw/zinc/42/59/99/484425999.db2.gz AZOCEEWFZQAETI-YVSFHVDLSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571067 484425090 /nfs/dbraw/zinc/42/50/90/484425090.db2.gz AZOCEEWFZQAETI-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000332571067 484425088 /nfs/dbraw/zinc/42/50/88/484425088.db2.gz AZOCEEWFZQAETI-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000332571067 484425084 /nfs/dbraw/zinc/42/50/84/484425084.db2.gz AZOCEEWFZQAETI-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000332571067 484425080 /nfs/dbraw/zinc/42/50/80/484425080.db2.gz AZOCEEWFZQAETI-YYIAUSFCSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332571800 484425000 /nfs/dbraw/zinc/42/50/00/484425000.db2.gz BDZKGBPKCSTMMB-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332571800 484424995 /nfs/dbraw/zinc/42/49/95/484424995.db2.gz BDZKGBPKCSTMMB-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332571803 484425641 /nfs/dbraw/zinc/42/56/41/484425641.db2.gz BDZKGBPKCSTMMB-OAGGEKHMSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332571803 484425636 /nfs/dbraw/zinc/42/56/36/484425636.db2.gz BDZKGBPKCSTMMB-OAGGEKHMSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332571805 484425199 /nfs/dbraw/zinc/42/51/99/484425199.db2.gz BDZKGBPKCSTMMB-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332571805 484425193 /nfs/dbraw/zinc/42/51/93/484425193.db2.gz BDZKGBPKCSTMMB-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332571807 484425708 /nfs/dbraw/zinc/42/57/08/484425708.db2.gz BDZKGBPKCSTMMB-PMPSAXMXSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332571807 484425704 /nfs/dbraw/zinc/42/57/04/484425704.db2.gz BDZKGBPKCSTMMB-PMPSAXMXSA-N 2 1 352.479 -0.139 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332589425 484427305 /nfs/dbraw/zinc/42/73/05/484427305.db2.gz IXBHMMNQPUYQSM-DZGCQCFKSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332589425 484427303 /nfs/dbraw/zinc/42/73/03/484427303.db2.gz IXBHMMNQPUYQSM-DZGCQCFKSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332589427 484427437 /nfs/dbraw/zinc/42/74/37/484427437.db2.gz IXBHMMNQPUYQSM-HIFRSBDPSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332589427 484427434 /nfs/dbraw/zinc/42/74/34/484427434.db2.gz IXBHMMNQPUYQSM-HIFRSBDPSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332589429 484427405 /nfs/dbraw/zinc/42/74/05/484427405.db2.gz IXBHMMNQPUYQSM-UKRRQHHQSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332589429 484427402 /nfs/dbraw/zinc/42/74/02/484427402.db2.gz IXBHMMNQPUYQSM-UKRRQHHQSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332589431 484427840 /nfs/dbraw/zinc/42/78/40/484427840.db2.gz IXBHMMNQPUYQSM-ZFWWWQNUSA-N 2 1 365.478 -0.992 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332589431 484427838 /nfs/dbraw/zinc/42/78/38/484427838.db2.gz IXBHMMNQPUYQSM-ZFWWWQNUSA-N 2 1 365.478 -0.992 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000332591125 484427119 /nfs/dbraw/zinc/42/71/19/484427119.db2.gz AJIDOMYPRAFTJZ-MWDXBVQZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000332591125 484427116 /nfs/dbraw/zinc/42/71/16/484427116.db2.gz AJIDOMYPRAFTJZ-MWDXBVQZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000332591125 484427111 /nfs/dbraw/zinc/42/71/11/484427111.db2.gz AJIDOMYPRAFTJZ-MWDXBVQZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000332591125 484427108 /nfs/dbraw/zinc/42/71/08/484427108.db2.gz AJIDOMYPRAFTJZ-MWDXBVQZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000332591128 484427465 /nfs/dbraw/zinc/42/74/65/484427465.db2.gz AJIDOMYPRAFTJZ-QBPKDAKJSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000332591128 484427461 /nfs/dbraw/zinc/42/74/61/484427461.db2.gz AJIDOMYPRAFTJZ-QBPKDAKJSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000332591128 484427457 /nfs/dbraw/zinc/42/74/57/484427457.db2.gz AJIDOMYPRAFTJZ-QBPKDAKJSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000332591128 484427454 /nfs/dbraw/zinc/42/74/54/484427454.db2.gz AJIDOMYPRAFTJZ-QBPKDAKJSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000332591131 484427150 /nfs/dbraw/zinc/42/71/50/484427150.db2.gz AJIDOMYPRAFTJZ-YLFCFFPRSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000332591131 484427148 /nfs/dbraw/zinc/42/71/48/484427148.db2.gz AJIDOMYPRAFTJZ-YLFCFFPRSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000332591131 484427143 /nfs/dbraw/zinc/42/71/43/484427143.db2.gz AJIDOMYPRAFTJZ-YLFCFFPRSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000332591131 484427139 /nfs/dbraw/zinc/42/71/39/484427139.db2.gz AJIDOMYPRAFTJZ-YLFCFFPRSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000332591133 484427959 /nfs/dbraw/zinc/42/79/59/484427959.db2.gz AJIDOMYPRAFTJZ-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000332591133 484427955 /nfs/dbraw/zinc/42/79/55/484427955.db2.gz AJIDOMYPRAFTJZ-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000332591133 484427952 /nfs/dbraw/zinc/42/79/52/484427952.db2.gz AJIDOMYPRAFTJZ-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000332591133 484427947 /nfs/dbraw/zinc/42/79/47/484427947.db2.gz AJIDOMYPRAFTJZ-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593196 484427184 /nfs/dbraw/zinc/42/71/84/484427184.db2.gz BDHMVWOCMSTPRD-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593196 484427178 /nfs/dbraw/zinc/42/71/78/484427178.db2.gz BDHMVWOCMSTPRD-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593197 484427933 /nfs/dbraw/zinc/42/79/33/484427933.db2.gz BDHMVWOCMSTPRD-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593197 484427931 /nfs/dbraw/zinc/42/79/31/484427931.db2.gz BDHMVWOCMSTPRD-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593198 484427256 /nfs/dbraw/zinc/42/72/56/484427256.db2.gz BDHMVWOCMSTPRD-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593198 484427252 /nfs/dbraw/zinc/42/72/52/484427252.db2.gz BDHMVWOCMSTPRD-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593199 484426682 /nfs/dbraw/zinc/42/66/82/484426682.db2.gz BDHMVWOCMSTPRD-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332593199 484426676 /nfs/dbraw/zinc/42/66/76/484426676.db2.gz BDHMVWOCMSTPRD-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332598441 484426967 /nfs/dbraw/zinc/42/69/67/484426967.db2.gz CIRNGFWTWRDZEY-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332598441 484426965 /nfs/dbraw/zinc/42/69/65/484426965.db2.gz CIRNGFWTWRDZEY-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000332598441 484426961 /nfs/dbraw/zinc/42/69/61/484426961.db2.gz CIRNGFWTWRDZEY-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000332598441 484426958 /nfs/dbraw/zinc/42/69/58/484426958.db2.gz CIRNGFWTWRDZEY-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332598442 484427531 /nfs/dbraw/zinc/42/75/31/484427531.db2.gz CIRNGFWTWRDZEY-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332598442 484427527 /nfs/dbraw/zinc/42/75/27/484427527.db2.gz CIRNGFWTWRDZEY-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000332598442 484427524 /nfs/dbraw/zinc/42/75/24/484427524.db2.gz CIRNGFWTWRDZEY-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000332598442 484427522 /nfs/dbraw/zinc/42/75/22/484427522.db2.gz CIRNGFWTWRDZEY-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332598443 484426568 /nfs/dbraw/zinc/42/65/68/484426568.db2.gz CIRNGFWTWRDZEY-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332598443 484426566 /nfs/dbraw/zinc/42/65/66/484426566.db2.gz CIRNGFWTWRDZEY-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332598443 484426563 /nfs/dbraw/zinc/42/65/63/484426563.db2.gz CIRNGFWTWRDZEY-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332598443 484426558 /nfs/dbraw/zinc/42/65/58/484426558.db2.gz CIRNGFWTWRDZEY-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332598444 484427001 /nfs/dbraw/zinc/42/70/01/484427001.db2.gz CIRNGFWTWRDZEY-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332598444 484426997 /nfs/dbraw/zinc/42/69/97/484426997.db2.gz CIRNGFWTWRDZEY-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332598444 484426993 /nfs/dbraw/zinc/42/69/93/484426993.db2.gz CIRNGFWTWRDZEY-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332598444 484426985 /nfs/dbraw/zinc/42/69/85/484426985.db2.gz CIRNGFWTWRDZEY-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000332611707 484428765 /nfs/dbraw/zinc/42/87/65/484428765.db2.gz AJKAOTPYOQVFMU-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000332611709 484428952 /nfs/dbraw/zinc/42/89/52/484428952.db2.gz AJKAOTPYOQVFMU-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332613997 484428384 /nfs/dbraw/zinc/42/83/84/484428384.db2.gz GLTJXKHGQQOXFA-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332613997 484428379 /nfs/dbraw/zinc/42/83/79/484428379.db2.gz GLTJXKHGQQOXFA-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614002 484429932 /nfs/dbraw/zinc/42/99/32/484429932.db2.gz GLTJXKHGQQOXFA-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614002 484429930 /nfs/dbraw/zinc/42/99/30/484429930.db2.gz GLTJXKHGQQOXFA-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614006 484429758 /nfs/dbraw/zinc/42/97/58/484429758.db2.gz GLTJXKHGQQOXFA-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614006 484429754 /nfs/dbraw/zinc/42/97/54/484429754.db2.gz GLTJXKHGQQOXFA-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614008 484430084 /nfs/dbraw/zinc/43/00/84/484430084.db2.gz GLTJXKHGQQOXFA-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000332614008 484430081 /nfs/dbraw/zinc/43/00/81/484430081.db2.gz GLTJXKHGQQOXFA-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332615317 484431025 /nfs/dbraw/zinc/43/10/25/484431025.db2.gz MLSIFIAIBDOZRO-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332615317 484431022 /nfs/dbraw/zinc/43/10/22/484431022.db2.gz MLSIFIAIBDOZRO-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332615318 484430520 /nfs/dbraw/zinc/43/05/20/484430520.db2.gz MLSIFIAIBDOZRO-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332615318 484430517 /nfs/dbraw/zinc/43/05/17/484430517.db2.gz MLSIFIAIBDOZRO-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332615319 484430449 /nfs/dbraw/zinc/43/04/49/484430449.db2.gz MLSIFIAIBDOZRO-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332615319 484430442 /nfs/dbraw/zinc/43/04/42/484430442.db2.gz MLSIFIAIBDOZRO-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332615320 484430774 /nfs/dbraw/zinc/43/07/74/484430774.db2.gz MLSIFIAIBDOZRO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332615320 484430771 /nfs/dbraw/zinc/43/07/71/484430771.db2.gz MLSIFIAIBDOZRO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000332619489 484430301 /nfs/dbraw/zinc/43/03/01/484430301.db2.gz QWQQATNKCARAFD-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332619489 484430299 /nfs/dbraw/zinc/43/02/99/484430299.db2.gz QWQQATNKCARAFD-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000332619490 484430551 /nfs/dbraw/zinc/43/05/51/484430551.db2.gz QWQQATNKCARAFD-JYJNAYRXSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332619490 484430545 /nfs/dbraw/zinc/43/05/45/484430545.db2.gz QWQQATNKCARAFD-JYJNAYRXSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000332619491 484430880 /nfs/dbraw/zinc/43/08/80/484430880.db2.gz QWQQATNKCARAFD-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000332619491 484430875 /nfs/dbraw/zinc/43/08/75/484430875.db2.gz QWQQATNKCARAFD-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000332619492 484430364 /nfs/dbraw/zinc/43/03/64/484430364.db2.gz QWQQATNKCARAFD-PMPSAXMXSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000332619492 484430357 /nfs/dbraw/zinc/43/03/57/484430357.db2.gz QWQQATNKCARAFD-PMPSAXMXSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000332621023 484430032 /nfs/dbraw/zinc/43/00/32/484430032.db2.gz RFVLFJIQPULHMV-CVEARBPZSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000332621023 484430029 /nfs/dbraw/zinc/43/00/29/484430029.db2.gz RFVLFJIQPULHMV-CVEARBPZSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000332621024 484429991 /nfs/dbraw/zinc/42/99/91/484429991.db2.gz RFVLFJIQPULHMV-HOTGVXAUSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000332621024 484429986 /nfs/dbraw/zinc/42/99/86/484429986.db2.gz RFVLFJIQPULHMV-HOTGVXAUSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000332621026 484430984 /nfs/dbraw/zinc/43/09/84/484430984.db2.gz RFVLFJIQPULHMV-HZPDHXFCSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000332621026 484430978 /nfs/dbraw/zinc/43/09/78/484430978.db2.gz RFVLFJIQPULHMV-HZPDHXFCSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000332621028 484430800 /nfs/dbraw/zinc/43/08/00/484430800.db2.gz RFVLFJIQPULHMV-JKSUJKDBSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000332621028 484430796 /nfs/dbraw/zinc/43/07/96/484430796.db2.gz RFVLFJIQPULHMV-JKSUJKDBSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000332625030 484432019 /nfs/dbraw/zinc/43/20/19/484432019.db2.gz CRUKXYDYAWPBBH-HRCADAONSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000332625030 484432014 /nfs/dbraw/zinc/43/20/14/484432014.db2.gz CRUKXYDYAWPBBH-HRCADAONSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000332625031 484432751 /nfs/dbraw/zinc/43/27/51/484432751.db2.gz CRUKXYDYAWPBBH-JYJNAYRXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000332625031 484432748 /nfs/dbraw/zinc/43/27/48/484432748.db2.gz CRUKXYDYAWPBBH-JYJNAYRXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000332625032 484431973 /nfs/dbraw/zinc/43/19/73/484431973.db2.gz CRUKXYDYAWPBBH-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000332625032 484431966 /nfs/dbraw/zinc/43/19/66/484431966.db2.gz CRUKXYDYAWPBBH-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000332625033 484432144 /nfs/dbraw/zinc/43/21/44/484432144.db2.gz CRUKXYDYAWPBBH-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000332625033 484432137 /nfs/dbraw/zinc/43/21/37/484432137.db2.gz CRUKXYDYAWPBBH-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626404 484431496 /nfs/dbraw/zinc/43/14/96/484431496.db2.gz ISSOYNPZTBEVPB-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626404 484431490 /nfs/dbraw/zinc/43/14/90/484431490.db2.gz ISSOYNPZTBEVPB-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332626404 484431485 /nfs/dbraw/zinc/43/14/85/484431485.db2.gz ISSOYNPZTBEVPB-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332626404 484431479 /nfs/dbraw/zinc/43/14/79/484431479.db2.gz ISSOYNPZTBEVPB-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626405 484432386 /nfs/dbraw/zinc/43/23/86/484432386.db2.gz ISSOYNPZTBEVPB-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626405 484432383 /nfs/dbraw/zinc/43/23/83/484432383.db2.gz ISSOYNPZTBEVPB-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332626405 484432381 /nfs/dbraw/zinc/43/23/81/484432381.db2.gz ISSOYNPZTBEVPB-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332626405 484432377 /nfs/dbraw/zinc/43/23/77/484432377.db2.gz ISSOYNPZTBEVPB-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626406 484432842 /nfs/dbraw/zinc/43/28/42/484432842.db2.gz ISSOYNPZTBEVPB-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626406 484432838 /nfs/dbraw/zinc/43/28/38/484432838.db2.gz ISSOYNPZTBEVPB-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332626406 484432833 /nfs/dbraw/zinc/43/28/33/484432833.db2.gz ISSOYNPZTBEVPB-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332626406 484432825 /nfs/dbraw/zinc/43/28/25/484432825.db2.gz ISSOYNPZTBEVPB-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626408 484432172 /nfs/dbraw/zinc/43/21/72/484432172.db2.gz ISSOYNPZTBEVPB-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000332626408 484432171 /nfs/dbraw/zinc/43/21/71/484432171.db2.gz ISSOYNPZTBEVPB-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332626408 484432169 /nfs/dbraw/zinc/43/21/69/484432169.db2.gz ISSOYNPZTBEVPB-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332626408 484432165 /nfs/dbraw/zinc/43/21/65/484432165.db2.gz ISSOYNPZTBEVPB-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332630793 484432258 /nfs/dbraw/zinc/43/22/58/484432258.db2.gz JLQHFJXKSDRHAZ-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332630795 484432724 /nfs/dbraw/zinc/43/27/24/484432724.db2.gz JLQHFJXKSDRHAZ-OAGGEKHMSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332630797 484432211 /nfs/dbraw/zinc/43/22/11/484432211.db2.gz JLQHFJXKSDRHAZ-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332630800 484431419 /nfs/dbraw/zinc/43/14/19/484431419.db2.gz JLQHFJXKSDRHAZ-PMPSAXMXSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332631985 484432655 /nfs/dbraw/zinc/43/26/55/484432655.db2.gz JOEYKWDWOMJGNL-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332631985 484432650 /nfs/dbraw/zinc/43/26/50/484432650.db2.gz JOEYKWDWOMJGNL-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631985 484432645 /nfs/dbraw/zinc/43/26/45/484432645.db2.gz JOEYKWDWOMJGNL-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631985 484432641 /nfs/dbraw/zinc/43/26/41/484432641.db2.gz JOEYKWDWOMJGNL-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332631986 484432950 /nfs/dbraw/zinc/43/29/50/484432950.db2.gz JOEYKWDWOMJGNL-VVLHAWIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332631986 484432944 /nfs/dbraw/zinc/43/29/44/484432944.db2.gz JOEYKWDWOMJGNL-VVLHAWIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631986 484432938 /nfs/dbraw/zinc/43/29/38/484432938.db2.gz JOEYKWDWOMJGNL-VVLHAWIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631986 484432935 /nfs/dbraw/zinc/43/29/35/484432935.db2.gz JOEYKWDWOMJGNL-VVLHAWIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332631987 484431590 /nfs/dbraw/zinc/43/15/90/484431590.db2.gz JOEYKWDWOMJGNL-YVSFHVDLSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332631987 484431584 /nfs/dbraw/zinc/43/15/84/484431584.db2.gz JOEYKWDWOMJGNL-YVSFHVDLSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631987 484431578 /nfs/dbraw/zinc/43/15/78/484431578.db2.gz JOEYKWDWOMJGNL-YVSFHVDLSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631987 484431572 /nfs/dbraw/zinc/43/15/72/484431572.db2.gz JOEYKWDWOMJGNL-YVSFHVDLSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332631989 484432354 /nfs/dbraw/zinc/43/23/54/484432354.db2.gz JOEYKWDWOMJGNL-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332631989 484432353 /nfs/dbraw/zinc/43/23/53/484432353.db2.gz JOEYKWDWOMJGNL-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631989 484432349 /nfs/dbraw/zinc/43/23/49/484432349.db2.gz JOEYKWDWOMJGNL-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332631989 484432348 /nfs/dbraw/zinc/43/23/48/484432348.db2.gz JOEYKWDWOMJGNL-YYIAUSFCSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000332634789 484434654 /nfs/dbraw/zinc/43/46/54/484434654.db2.gz KGTVSYJRPWFKEC-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000332634789 484434651 /nfs/dbraw/zinc/43/46/51/484434651.db2.gz KGTVSYJRPWFKEC-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332634789 484434647 /nfs/dbraw/zinc/43/46/47/484434647.db2.gz KGTVSYJRPWFKEC-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332634789 484434641 /nfs/dbraw/zinc/43/46/41/484434641.db2.gz KGTVSYJRPWFKEC-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000332634790 484433571 /nfs/dbraw/zinc/43/35/71/484433571.db2.gz KGTVSYJRPWFKEC-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000332634790 484433568 /nfs/dbraw/zinc/43/35/68/484433568.db2.gz KGTVSYJRPWFKEC-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332634790 484433563 /nfs/dbraw/zinc/43/35/63/484433563.db2.gz KGTVSYJRPWFKEC-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332634790 484433559 /nfs/dbraw/zinc/43/35/59/484433559.db2.gz KGTVSYJRPWFKEC-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000332634791 484433696 /nfs/dbraw/zinc/43/36/96/484433696.db2.gz KGTVSYJRPWFKEC-OAGGEKHMSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000332634791 484433691 /nfs/dbraw/zinc/43/36/91/484433691.db2.gz KGTVSYJRPWFKEC-OAGGEKHMSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332634791 484433687 /nfs/dbraw/zinc/43/36/87/484433687.db2.gz KGTVSYJRPWFKEC-OAGGEKHMSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332634791 484433684 /nfs/dbraw/zinc/43/36/84/484433684.db2.gz KGTVSYJRPWFKEC-OAGGEKHMSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1C[C@H](C)O ZINC000332634792 484434585 /nfs/dbraw/zinc/43/45/85/484434585.db2.gz KGTVSYJRPWFKEC-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1C[C@H](C)O ZINC000332634792 484434580 /nfs/dbraw/zinc/43/45/80/484434580.db2.gz KGTVSYJRPWFKEC-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332634792 484434574 /nfs/dbraw/zinc/43/45/74/484434574.db2.gz KGTVSYJRPWFKEC-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332634792 484434569 /nfs/dbraw/zinc/43/45/69/484434569.db2.gz KGTVSYJRPWFKEC-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)[N@H+]1CCO ZINC000332641063 484433929 /nfs/dbraw/zinc/43/39/29/484433929.db2.gz RMHIICLESTWKTO-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)[N@@H+]1CCO ZINC000332641063 484433924 /nfs/dbraw/zinc/43/39/24/484433924.db2.gz RMHIICLESTWKTO-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC000332641063 484433913 /nfs/dbraw/zinc/43/39/13/484433913.db2.gz RMHIICLESTWKTO-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)N1CCO ZINC000332641063 484433908 /nfs/dbraw/zinc/43/39/08/484433908.db2.gz RMHIICLESTWKTO-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332641064 484434323 /nfs/dbraw/zinc/43/43/23/484434323.db2.gz RMHIICLESTWKTO-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332641064 484434318 /nfs/dbraw/zinc/43/43/18/484434318.db2.gz RMHIICLESTWKTO-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332641064 484434309 /nfs/dbraw/zinc/43/43/09/484434309.db2.gz RMHIICLESTWKTO-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[C@H](C)N1CCO ZINC000332641064 484434303 /nfs/dbraw/zinc/43/43/03/484434303.db2.gz RMHIICLESTWKTO-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000332641065 484434740 /nfs/dbraw/zinc/43/47/40/484434740.db2.gz RMHIICLESTWKTO-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000332641065 484434736 /nfs/dbraw/zinc/43/47/36/484434736.db2.gz RMHIICLESTWKTO-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000332641065 484434726 /nfs/dbraw/zinc/43/47/26/484434726.db2.gz RMHIICLESTWKTO-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@H](C)N1CCO ZINC000332641065 484434719 /nfs/dbraw/zinc/43/47/19/484434719.db2.gz RMHIICLESTWKTO-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)[N@H+]1CCO ZINC000332641066 484433891 /nfs/dbraw/zinc/43/38/91/484433891.db2.gz RMHIICLESTWKTO-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)[N@@H+]1CCO ZINC000332641066 484433886 /nfs/dbraw/zinc/43/38/86/484433886.db2.gz RMHIICLESTWKTO-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC000332641066 484433880 /nfs/dbraw/zinc/43/38/80/484433880.db2.gz RMHIICLESTWKTO-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)N1CCO ZINC000332641066 484433874 /nfs/dbraw/zinc/43/38/74/484433874.db2.gz RMHIICLESTWKTO-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332642323 484434708 /nfs/dbraw/zinc/43/47/08/484434708.db2.gz YTGRQTDEGGQVBA-FXUDXRNXSA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332642323 484434703 /nfs/dbraw/zinc/43/47/03/484434703.db2.gz YTGRQTDEGGQVBA-FXUDXRNXSA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332642325 484433496 /nfs/dbraw/zinc/43/34/96/484433496.db2.gz YTGRQTDEGGQVBA-KLHDSHLOSA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332642325 484433490 /nfs/dbraw/zinc/43/34/90/484433490.db2.gz YTGRQTDEGGQVBA-KLHDSHLOSA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332642327 484434068 /nfs/dbraw/zinc/43/40/68/484434068.db2.gz YTGRQTDEGGQVBA-LVQVYYBASA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332642327 484434064 /nfs/dbraw/zinc/43/40/64/484434064.db2.gz YTGRQTDEGGQVBA-LVQVYYBASA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332642330 484433588 /nfs/dbraw/zinc/43/35/88/484433588.db2.gz YTGRQTDEGGQVBA-QKPAOTATSA-N 2 1 366.506 -0.206 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332642330 484433584 /nfs/dbraw/zinc/43/35/84/484433584.db2.gz YTGRQTDEGGQVBA-QKPAOTATSA-N 2 1 366.506 -0.206 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000332642894 484434250 /nfs/dbraw/zinc/43/42/50/484434250.db2.gz JKRJVBVDNNFBSV-IKGGRYGDSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000332642897 484433708 /nfs/dbraw/zinc/43/37/08/484433708.db2.gz JKRJVBVDNNFBSV-IXDOHACOSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000332642901 484434513 /nfs/dbraw/zinc/43/45/13/484434513.db2.gz JKRJVBVDNNFBSV-ULQDDVLXSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000332642903 484433805 /nfs/dbraw/zinc/43/38/05/484433805.db2.gz JKRJVBVDNNFBSV-YESZJQIVSA-N 2 1 366.506 -0.036 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000332644925 484436586 /nfs/dbraw/zinc/43/65/86/484436586.db2.gz MHHGFTODNZLHOR-BZUAXINKSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000332644925 484436580 /nfs/dbraw/zinc/43/65/80/484436580.db2.gz MHHGFTODNZLHOR-BZUAXINKSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000332644925 484436575 /nfs/dbraw/zinc/43/65/75/484436575.db2.gz MHHGFTODNZLHOR-BZUAXINKSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000332644925 484436572 /nfs/dbraw/zinc/43/65/72/484436572.db2.gz MHHGFTODNZLHOR-BZUAXINKSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000332644926 484436657 /nfs/dbraw/zinc/43/66/57/484436657.db2.gz MHHGFTODNZLHOR-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000332644926 484436653 /nfs/dbraw/zinc/43/66/53/484436653.db2.gz MHHGFTODNZLHOR-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000332644926 484436647 /nfs/dbraw/zinc/43/66/47/484436647.db2.gz MHHGFTODNZLHOR-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000332644926 484436642 /nfs/dbraw/zinc/43/66/42/484436642.db2.gz MHHGFTODNZLHOR-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)CC[N@H+]1CC(C)(C)O ZINC000332644928 484435836 /nfs/dbraw/zinc/43/58/36/484435836.db2.gz MHHGFTODNZLHOR-OWCLPIDISA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000332644928 484435832 /nfs/dbraw/zinc/43/58/32/484435832.db2.gz MHHGFTODNZLHOR-OWCLPIDISA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000332644928 484435827 /nfs/dbraw/zinc/43/58/27/484435827.db2.gz MHHGFTODNZLHOR-OWCLPIDISA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000332644928 484435824 /nfs/dbraw/zinc/43/58/24/484435824.db2.gz MHHGFTODNZLHOR-OWCLPIDISA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@H+]1CC(C)(C)O ZINC000332644930 484436517 /nfs/dbraw/zinc/43/65/17/484436517.db2.gz MHHGFTODNZLHOR-PMPSAXMXSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000332644930 484436511 /nfs/dbraw/zinc/43/65/11/484436511.db2.gz MHHGFTODNZLHOR-PMPSAXMXSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000332644930 484436508 /nfs/dbraw/zinc/43/65/08/484436508.db2.gz MHHGFTODNZLHOR-PMPSAXMXSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000332644930 484436502 /nfs/dbraw/zinc/43/65/02/484436502.db2.gz MHHGFTODNZLHOR-PMPSAXMXSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000332646053 484436283 /nfs/dbraw/zinc/43/62/83/484436283.db2.gz MJWBHYFHHRWZFI-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000332646053 484436279 /nfs/dbraw/zinc/43/62/79/484436279.db2.gz MJWBHYFHHRWZFI-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000332646053 484436274 /nfs/dbraw/zinc/43/62/74/484436274.db2.gz MJWBHYFHHRWZFI-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000332646053 484436269 /nfs/dbraw/zinc/43/62/69/484436269.db2.gz MJWBHYFHHRWZFI-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000332646055 484436101 /nfs/dbraw/zinc/43/61/01/484436101.db2.gz MJWBHYFHHRWZFI-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000332646055 484436095 /nfs/dbraw/zinc/43/60/95/484436095.db2.gz MJWBHYFHHRWZFI-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000332646055 484436090 /nfs/dbraw/zinc/43/60/90/484436090.db2.gz MJWBHYFHHRWZFI-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000332646055 484436088 /nfs/dbraw/zinc/43/60/88/484436088.db2.gz MJWBHYFHHRWZFI-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000332646057 484435793 /nfs/dbraw/zinc/43/57/93/484435793.db2.gz MJWBHYFHHRWZFI-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000332646057 484435791 /nfs/dbraw/zinc/43/57/91/484435791.db2.gz MJWBHYFHHRWZFI-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)CC[N@H+]1C[C@H](C)O ZINC000332646057 484435785 /nfs/dbraw/zinc/43/57/85/484435785.db2.gz MJWBHYFHHRWZFI-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000332646057 484435784 /nfs/dbraw/zinc/43/57/84/484435784.db2.gz MJWBHYFHHRWZFI-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000332646059 484435508 /nfs/dbraw/zinc/43/55/08/484435508.db2.gz MJWBHYFHHRWZFI-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000332646059 484435504 /nfs/dbraw/zinc/43/55/04/484435504.db2.gz MJWBHYFHHRWZFI-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000332646059 484435499 /nfs/dbraw/zinc/43/54/99/484435499.db2.gz MJWBHYFHHRWZFI-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000332646059 484435492 /nfs/dbraw/zinc/43/54/92/484435492.db2.gz MJWBHYFHHRWZFI-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000332647960 484435701 /nfs/dbraw/zinc/43/57/01/484435701.db2.gz XMXVAAWRNGVUSB-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCO1 ZINC000332647963 484436232 /nfs/dbraw/zinc/43/62/32/484436232.db2.gz XMXVAAWRNGVUSB-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCO1 ZINC000332647966 484436382 /nfs/dbraw/zinc/43/63/82/484436382.db2.gz XMXVAAWRNGVUSB-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000332647968 484436741 /nfs/dbraw/zinc/43/67/41/484436741.db2.gz XMXVAAWRNGVUSB-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332648475 484436005 /nfs/dbraw/zinc/43/60/05/484436005.db2.gz TXYRVFIHEKQOCV-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332648475 484436001 /nfs/dbraw/zinc/43/60/01/484436001.db2.gz TXYRVFIHEKQOCV-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332648476 484436037 /nfs/dbraw/zinc/43/60/37/484436037.db2.gz TXYRVFIHEKQOCV-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332648476 484436032 /nfs/dbraw/zinc/43/60/32/484436032.db2.gz TXYRVFIHEKQOCV-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332648477 484436200 /nfs/dbraw/zinc/43/62/00/484436200.db2.gz TXYRVFIHEKQOCV-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332648477 484436194 /nfs/dbraw/zinc/43/61/94/484436194.db2.gz TXYRVFIHEKQOCV-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000332648478 484436698 /nfs/dbraw/zinc/43/66/98/484436698.db2.gz TXYRVFIHEKQOCV-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000332648478 484436691 /nfs/dbraw/zinc/43/66/91/484436691.db2.gz TXYRVFIHEKQOCV-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332656148 484438310 /nfs/dbraw/zinc/43/83/10/484438310.db2.gz WBWLUWGWENPDOL-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332656148 484438305 /nfs/dbraw/zinc/43/83/05/484438305.db2.gz WBWLUWGWENPDOL-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332656149 484438288 /nfs/dbraw/zinc/43/82/88/484438288.db2.gz WBWLUWGWENPDOL-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332656149 484438284 /nfs/dbraw/zinc/43/82/84/484438284.db2.gz WBWLUWGWENPDOL-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332656150 484437872 /nfs/dbraw/zinc/43/78/72/484437872.db2.gz WBWLUWGWENPDOL-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332656150 484437868 /nfs/dbraw/zinc/43/78/68/484437868.db2.gz WBWLUWGWENPDOL-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332656153 484437249 /nfs/dbraw/zinc/43/72/49/484437249.db2.gz WBWLUWGWENPDOL-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332656153 484437245 /nfs/dbraw/zinc/43/72/45/484437245.db2.gz WBWLUWGWENPDOL-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000332657651 484438022 /nfs/dbraw/zinc/43/80/22/484438022.db2.gz JXNMVFRUAYYJGH-INIZCTEOSA-N 2 1 351.495 -0.707 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000332657652 484438186 /nfs/dbraw/zinc/43/81/86/484438186.db2.gz JXNMVFRUAYYJGH-MRXNPFEDSA-N 2 1 351.495 -0.707 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H]1C ZINC000332662042 484437514 /nfs/dbraw/zinc/43/75/14/484437514.db2.gz NDAWXCOKCVHYTD-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H]1C ZINC000332662042 484437507 /nfs/dbraw/zinc/43/75/07/484437507.db2.gz NDAWXCOKCVHYTD-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H]1C ZINC000332662045 484438081 /nfs/dbraw/zinc/43/80/81/484438081.db2.gz NDAWXCOKCVHYTD-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H]1C ZINC000332662045 484438079 /nfs/dbraw/zinc/43/80/79/484438079.db2.gz NDAWXCOKCVHYTD-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000332662047 484437227 /nfs/dbraw/zinc/43/72/27/484437227.db2.gz NDAWXCOKCVHYTD-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000332662047 484437222 /nfs/dbraw/zinc/43/72/22/484437222.db2.gz NDAWXCOKCVHYTD-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000332662049 484437977 /nfs/dbraw/zinc/43/79/77/484437977.db2.gz NDAWXCOKCVHYTD-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000332662049 484437973 /nfs/dbraw/zinc/43/79/73/484437973.db2.gz NDAWXCOKCVHYTD-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332662281 484437143 /nfs/dbraw/zinc/43/71/43/484437143.db2.gz PXAPSULNMWEHKV-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332662281 484437138 /nfs/dbraw/zinc/43/71/38/484437138.db2.gz PXAPSULNMWEHKV-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332662283 484438046 /nfs/dbraw/zinc/43/80/46/484438046.db2.gz PXAPSULNMWEHKV-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332662283 484438043 /nfs/dbraw/zinc/43/80/43/484438043.db2.gz PXAPSULNMWEHKV-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332665646 484437324 /nfs/dbraw/zinc/43/73/24/484437324.db2.gz QSTRFZFQQQJSKL-KLHDSHLOSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332665646 484437321 /nfs/dbraw/zinc/43/73/21/484437321.db2.gz QSTRFZFQQQJSKL-KLHDSHLOSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332665652 484437961 /nfs/dbraw/zinc/43/79/61/484437961.db2.gz QSTRFZFQQQJSKL-LVQVYYBASA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332665652 484437960 /nfs/dbraw/zinc/43/79/60/484437960.db2.gz QSTRFZFQQQJSKL-LVQVYYBASA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332665657 484437676 /nfs/dbraw/zinc/43/76/76/484437676.db2.gz QSTRFZFQQQJSKL-XUWVNRHRSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332665657 484437672 /nfs/dbraw/zinc/43/76/72/484437672.db2.gz QSTRFZFQQQJSKL-XUWVNRHRSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332665662 484437635 /nfs/dbraw/zinc/43/76/35/484437635.db2.gz QSTRFZFQQQJSKL-ZJIFWQFVSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332665662 484437633 /nfs/dbraw/zinc/43/76/33/484437633.db2.gz QSTRFZFQQQJSKL-ZJIFWQFVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332668149 484438972 /nfs/dbraw/zinc/43/89/72/484438972.db2.gz YVMOJDDDYGIHMW-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332668149 484438970 /nfs/dbraw/zinc/43/89/70/484438970.db2.gz YVMOJDDDYGIHMW-ILXRZTDVSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332668152 484439558 /nfs/dbraw/zinc/43/95/58/484439558.db2.gz YVMOJDDDYGIHMW-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332668152 484439555 /nfs/dbraw/zinc/43/95/55/484439555.db2.gz YVMOJDDDYGIHMW-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332668154 484439651 /nfs/dbraw/zinc/43/96/51/484439651.db2.gz YVMOJDDDYGIHMW-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332668154 484439646 /nfs/dbraw/zinc/43/96/46/484439646.db2.gz YVMOJDDDYGIHMW-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332668156 484439072 /nfs/dbraw/zinc/43/90/72/484439072.db2.gz YVMOJDDDYGIHMW-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332668156 484439069 /nfs/dbraw/zinc/43/90/69/484439069.db2.gz YVMOJDDDYGIHMW-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332670463 244972610 /nfs/dbraw/zinc/97/26/10/244972610.db2.gz RRCTXFHBXGNUQO-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332670465 484438800 /nfs/dbraw/zinc/43/88/00/484438800.db2.gz RRCTXFHBXGNUQO-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332670467 484439102 /nfs/dbraw/zinc/43/91/02/484439102.db2.gz RRCTXFHBXGNUQO-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332670469 484439629 /nfs/dbraw/zinc/43/96/29/484439629.db2.gz RRCTXFHBXGNUQO-LSDHHAIUSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332671638 484438822 /nfs/dbraw/zinc/43/88/22/484438822.db2.gz RZLGDASWXDVGLD-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332671639 484439350 /nfs/dbraw/zinc/43/93/50/484439350.db2.gz RZLGDASWXDVGLD-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332671640 484439012 /nfs/dbraw/zinc/43/90/12/484439012.db2.gz RZLGDASWXDVGLD-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332671641 484438783 /nfs/dbraw/zinc/43/87/83/484438783.db2.gz RZLGDASWXDVGLD-LSDHHAIUSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000332672475 484439599 /nfs/dbraw/zinc/43/95/99/484439599.db2.gz PVEGEMSSOVXSKT-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000332672478 484439527 /nfs/dbraw/zinc/43/95/27/484439527.db2.gz PVEGEMSSOVXSKT-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332685633 484441421 /nfs/dbraw/zinc/44/14/21/484441421.db2.gz SHMAQWFUJRIZQS-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332685633 484441414 /nfs/dbraw/zinc/44/14/14/484441414.db2.gz SHMAQWFUJRIZQS-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332685634 484441330 /nfs/dbraw/zinc/44/13/30/484441330.db2.gz SHMAQWFUJRIZQS-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332685634 484441322 /nfs/dbraw/zinc/44/13/22/484441322.db2.gz SHMAQWFUJRIZQS-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332689160 484440442 /nfs/dbraw/zinc/44/04/42/484440442.db2.gz WFGJEIMJBRAEKR-FPCVCCKLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332689160 484440440 /nfs/dbraw/zinc/44/04/40/484440440.db2.gz WFGJEIMJBRAEKR-FPCVCCKLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332690201 484440853 /nfs/dbraw/zinc/44/08/53/484440853.db2.gz WFGJEIMJBRAEKR-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332690201 484440849 /nfs/dbraw/zinc/44/08/49/484440849.db2.gz WFGJEIMJBRAEKR-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000332690205 484440351 /nfs/dbraw/zinc/44/03/51/484440351.db2.gz WFGJEIMJBRAEKR-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000332690205 484440346 /nfs/dbraw/zinc/44/03/46/484440346.db2.gz WFGJEIMJBRAEKR-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000332690209 484440088 /nfs/dbraw/zinc/44/00/88/484440088.db2.gz WFGJEIMJBRAEKR-QXSJWSMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000332690209 484440085 /nfs/dbraw/zinc/44/00/85/484440085.db2.gz WFGJEIMJBRAEKR-QXSJWSMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000332699723 484440763 /nfs/dbraw/zinc/44/07/63/484440763.db2.gz VVULSVBTALJGJM-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000332699723 484440756 /nfs/dbraw/zinc/44/07/56/484440756.db2.gz VVULSVBTALJGJM-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000332699728 484440618 /nfs/dbraw/zinc/44/06/18/484440618.db2.gz VVULSVBTALJGJM-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000332699728 484440614 /nfs/dbraw/zinc/44/06/14/484440614.db2.gz VVULSVBTALJGJM-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000332699733 484441138 /nfs/dbraw/zinc/44/11/38/484441138.db2.gz VVULSVBTALJGJM-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000332699733 484441133 /nfs/dbraw/zinc/44/11/33/484441133.db2.gz VVULSVBTALJGJM-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000332699738 484440204 /nfs/dbraw/zinc/44/02/04/484440204.db2.gz VVULSVBTALJGJM-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000332699738 484440199 /nfs/dbraw/zinc/44/01/99/484440199.db2.gz VVULSVBTALJGJM-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@@H]1C ZINC000332702634 484440470 /nfs/dbraw/zinc/44/04/70/484440470.db2.gz YKLBCEYRVKBKBN-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@@H]1C ZINC000332702634 484440466 /nfs/dbraw/zinc/44/04/66/484440466.db2.gz YKLBCEYRVKBKBN-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@@H]1C ZINC000332702634 484440462 /nfs/dbraw/zinc/44/04/62/484440462.db2.gz YKLBCEYRVKBKBN-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@@H]1C ZINC000332702634 484440458 /nfs/dbraw/zinc/44/04/58/484440458.db2.gz YKLBCEYRVKBKBN-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H]1C ZINC000332702636 484440595 /nfs/dbraw/zinc/44/05/95/484440595.db2.gz YKLBCEYRVKBKBN-UGUYLWEFSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H]1C ZINC000332702636 484440593 /nfs/dbraw/zinc/44/05/93/484440593.db2.gz YKLBCEYRVKBKBN-UGUYLWEFSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H]1C ZINC000332702636 484440589 /nfs/dbraw/zinc/44/05/89/484440589.db2.gz YKLBCEYRVKBKBN-UGUYLWEFSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H]1C ZINC000332702636 484440586 /nfs/dbraw/zinc/44/05/86/484440586.db2.gz YKLBCEYRVKBKBN-UGUYLWEFSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@@H]1C ZINC000332702638 484440304 /nfs/dbraw/zinc/44/03/04/484440304.db2.gz YKLBCEYRVKBKBN-VGWMRTNUSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@@H]1C ZINC000332702638 484440301 /nfs/dbraw/zinc/44/03/01/484440301.db2.gz YKLBCEYRVKBKBN-VGWMRTNUSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@@H]1C ZINC000332702638 484440296 /nfs/dbraw/zinc/44/02/96/484440296.db2.gz YKLBCEYRVKBKBN-VGWMRTNUSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@@H]1C ZINC000332702638 484440292 /nfs/dbraw/zinc/44/02/92/484440292.db2.gz YKLBCEYRVKBKBN-VGWMRTNUSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@H]1C ZINC000332702640 484441044 /nfs/dbraw/zinc/44/10/44/484441044.db2.gz YKLBCEYRVKBKBN-WCVJEAGWSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@H]1C ZINC000332702640 484441037 /nfs/dbraw/zinc/44/10/37/484441037.db2.gz YKLBCEYRVKBKBN-WCVJEAGWSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@H]1C ZINC000332702640 484441029 /nfs/dbraw/zinc/44/10/29/484441029.db2.gz YKLBCEYRVKBKBN-WCVJEAGWSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@H]1C ZINC000332702640 484441025 /nfs/dbraw/zinc/44/10/25/484441025.db2.gz YKLBCEYRVKBKBN-WCVJEAGWSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000332751321 484266323 /nfs/dbraw/zinc/26/63/23/484266323.db2.gz CBEBDOXASGIFOB-BRWVUGGUSA-N 2 1 353.511 -0.016 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)CN1CC[NH+](C)CC1 ZINC000332751322 484266560 /nfs/dbraw/zinc/26/65/60/484266560.db2.gz CBEBDOXASGIFOB-IXDOHACOSA-N 2 1 353.511 -0.016 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000332769208 484269824 /nfs/dbraw/zinc/26/98/24/484269824.db2.gz MEDBMCVLUAYPRS-KURKYZTESA-N 2 1 368.522 -0.136 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000332769208 484269819 /nfs/dbraw/zinc/26/98/19/484269819.db2.gz MEDBMCVLUAYPRS-KURKYZTESA-N 2 1 368.522 -0.136 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000332769208 484269815 /nfs/dbraw/zinc/26/98/15/484269815.db2.gz MEDBMCVLUAYPRS-KURKYZTESA-N 2 1 368.522 -0.136 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000332769209 484270458 /nfs/dbraw/zinc/27/04/58/484270458.db2.gz MEDBMCVLUAYPRS-SQNIBIBYSA-N 2 1 368.522 -0.136 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000332769209 484270454 /nfs/dbraw/zinc/27/04/54/484270454.db2.gz MEDBMCVLUAYPRS-SQNIBIBYSA-N 2 1 368.522 -0.136 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000332769209 484270448 /nfs/dbraw/zinc/27/04/48/484270448.db2.gz MEDBMCVLUAYPRS-SQNIBIBYSA-N 2 1 368.522 -0.136 20 0 FBADMP C[C@@](O)(CNC(=O)[C@@H]1COCCN1C1CCCC1)C[NH+]1CCOCC1 ZINC000332834377 484637508 /nfs/dbraw/zinc/63/75/08/484637508.db2.gz HJSUSCDNHAEJDW-FUHWJXTLSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@@](O)(CNC(=O)[C@H]1COCCN1C1CCCC1)C[NH+]1CCOCC1 ZINC000332834378 484637158 /nfs/dbraw/zinc/63/71/58/484637158.db2.gz HJSUSCDNHAEJDW-SJLPKXTDSA-N 2 1 355.479 -0.171 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN3CCOC[C@@H]3C2)C1 ZINC000332867352 484637803 /nfs/dbraw/zinc/63/78/03/484637803.db2.gz XFBPBSCBHNDAQK-IRXDYDNUSA-N 2 1 354.495 -0.524 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN3CCOC[C@@H]3C2)C1 ZINC000332867352 484637800 /nfs/dbraw/zinc/63/78/00/484637800.db2.gz XFBPBSCBHNDAQK-IRXDYDNUSA-N 2 1 354.495 -0.524 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN3CCOC[C@H]3C2)C1 ZINC000332867353 484637594 /nfs/dbraw/zinc/63/75/94/484637594.db2.gz XFBPBSCBHNDAQK-SJORKVTESA-N 2 1 354.495 -0.524 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN3CCOC[C@H]3C2)C1 ZINC000332867353 484637591 /nfs/dbraw/zinc/63/75/91/484637591.db2.gz XFBPBSCBHNDAQK-SJORKVTESA-N 2 1 354.495 -0.524 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000332909485 484289516 /nfs/dbraw/zinc/28/95/16/484289516.db2.gz HERRKQSACSDSLX-ARFHVFGLSA-N 2 1 368.478 -0.998 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000332909485 484289509 /nfs/dbraw/zinc/28/95/09/484289509.db2.gz HERRKQSACSDSLX-ARFHVFGLSA-N 2 1 368.478 -0.998 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000332909486 484289457 /nfs/dbraw/zinc/28/94/57/484289457.db2.gz HERRKQSACSDSLX-HRCADAONSA-N 2 1 368.478 -0.998 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000332909486 484289450 /nfs/dbraw/zinc/28/94/50/484289450.db2.gz HERRKQSACSDSLX-HRCADAONSA-N 2 1 368.478 -0.998 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000332969472 484997992 /nfs/dbraw/zinc/99/79/92/484997992.db2.gz KKHIKTDNQMNNDF-HOTGVXAUSA-N 2 1 367.494 -0.299 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000332969473 484997677 /nfs/dbraw/zinc/99/76/77/484997677.db2.gz KKHIKTDNQMNNDF-HZPDHXFCSA-N 2 1 367.494 -0.299 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332976207 484316759 /nfs/dbraw/zinc/31/67/59/484316759.db2.gz HCLGBNDFSZHAQK-IKGGRYGDSA-N 2 1 353.511 -0.091 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332976208 484316960 /nfs/dbraw/zinc/31/69/60/484316960.db2.gz HCLGBNDFSZHAQK-IXDOHACOSA-N 2 1 353.511 -0.091 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000332976871 484316673 /nfs/dbraw/zinc/31/66/73/484316673.db2.gz LYPQVIQMFLJDPG-HOTGVXAUSA-N 2 1 366.510 -0.820 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332976871 484316668 /nfs/dbraw/zinc/31/66/68/484316668.db2.gz LYPQVIQMFLJDPG-HOTGVXAUSA-N 2 1 366.510 -0.820 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000332976871 484316661 /nfs/dbraw/zinc/31/66/61/484316661.db2.gz LYPQVIQMFLJDPG-HOTGVXAUSA-N 2 1 366.510 -0.820 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332976878 484318993 /nfs/dbraw/zinc/31/89/93/484318993.db2.gz LYPQVIQMFLJDPG-JKSUJKDBSA-N 2 1 366.510 -0.820 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000332976878 484318986 /nfs/dbraw/zinc/31/89/86/484318986.db2.gz LYPQVIQMFLJDPG-JKSUJKDBSA-N 2 1 366.510 -0.820 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000332976878 484318979 /nfs/dbraw/zinc/31/89/79/484318979.db2.gz LYPQVIQMFLJDPG-JKSUJKDBSA-N 2 1 366.510 -0.820 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000332984022 484330591 /nfs/dbraw/zinc/33/05/91/484330591.db2.gz SLFUEGYFIWKSDA-OAHLLOKOSA-N 2 1 367.494 -0.440 20 0 FBADMP C[C@@H]1CN(CCN(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000333045817 484446718 /nfs/dbraw/zinc/44/67/18/484446718.db2.gz PKGFRSXNFKFZBJ-IYBDPMFKSA-N 2 1 369.510 -0.099 20 0 FBADMP CN1CCN(C(=O)CC2CCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC000333049642 484447427 /nfs/dbraw/zinc/44/74/27/484447427.db2.gz KZOVDLBLZQCHJH-UHFFFAOYSA-N 2 1 372.535 -0.102 20 0 FBADMP CN(CCN1CCOC(C)(C)C1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333056006 484447445 /nfs/dbraw/zinc/44/74/45/484447445.db2.gz RJGALFBHXIIAFA-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093227 484449784 /nfs/dbraw/zinc/44/97/84/484449784.db2.gz ZYVVGHOHQUBMOQ-CRAIPNDOSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093227 484449775 /nfs/dbraw/zinc/44/97/75/484449775.db2.gz ZYVVGHOHQUBMOQ-CRAIPNDOSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093229 484449840 /nfs/dbraw/zinc/44/98/40/484449840.db2.gz ZYVVGHOHQUBMOQ-MAUKXSAKSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093229 484449831 /nfs/dbraw/zinc/44/98/31/484449831.db2.gz ZYVVGHOHQUBMOQ-MAUKXSAKSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093232 484450685 /nfs/dbraw/zinc/45/06/85/484450685.db2.gz ZYVVGHOHQUBMOQ-QAPCUYQASA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093232 484450677 /nfs/dbraw/zinc/45/06/77/484450677.db2.gz ZYVVGHOHQUBMOQ-QAPCUYQASA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093234 484450266 /nfs/dbraw/zinc/45/02/66/484450266.db2.gz ZYVVGHOHQUBMOQ-YJBOKZPZSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093234 484450252 /nfs/dbraw/zinc/45/02/52/484450252.db2.gz ZYVVGHOHQUBMOQ-YJBOKZPZSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118327 484451310 /nfs/dbraw/zinc/45/13/10/484451310.db2.gz ADCVPWQRHZUCBJ-DOMZBBRYSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118327 484451308 /nfs/dbraw/zinc/45/13/08/484451308.db2.gz ADCVPWQRHZUCBJ-DOMZBBRYSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118328 484451564 /nfs/dbraw/zinc/45/15/64/484451564.db2.gz ADCVPWQRHZUCBJ-IUODEOHRSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118328 484451559 /nfs/dbraw/zinc/45/15/59/484451559.db2.gz ADCVPWQRHZUCBJ-IUODEOHRSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118329 484451696 /nfs/dbraw/zinc/45/16/96/484451696.db2.gz ADCVPWQRHZUCBJ-SWLSCSKDSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118329 484451691 /nfs/dbraw/zinc/45/16/91/484451691.db2.gz ADCVPWQRHZUCBJ-SWLSCSKDSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118330 484451996 /nfs/dbraw/zinc/45/19/96/484451996.db2.gz ADCVPWQRHZUCBJ-WFASDCNBSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333118330 484451991 /nfs/dbraw/zinc/45/19/91/484451991.db2.gz ADCVPWQRHZUCBJ-WFASDCNBSA-N 2 1 371.507 -0.902 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333156398 484453711 /nfs/dbraw/zinc/45/37/11/484453711.db2.gz FTVPUUJRYUWAQZ-INIZCTEOSA-N 2 1 374.489 -0.024 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333156399 484452726 /nfs/dbraw/zinc/45/27/26/484452726.db2.gz FTVPUUJRYUWAQZ-MRXNPFEDSA-N 2 1 374.489 -0.024 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000333162869 484454554 /nfs/dbraw/zinc/45/45/54/484454554.db2.gz GTAKASRJOPRAEW-CHWSQXEVSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000333162869 484454550 /nfs/dbraw/zinc/45/45/50/484454550.db2.gz GTAKASRJOPRAEW-CHWSQXEVSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000333162873 484454839 /nfs/dbraw/zinc/45/48/39/484454839.db2.gz GTAKASRJOPRAEW-OLZOCXBDSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000333162873 484454834 /nfs/dbraw/zinc/45/48/34/484454834.db2.gz GTAKASRJOPRAEW-OLZOCXBDSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000333162875 484454440 /nfs/dbraw/zinc/45/44/40/484454440.db2.gz GTAKASRJOPRAEW-QWHCGFSZSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000333162875 484454436 /nfs/dbraw/zinc/45/44/36/484454436.db2.gz GTAKASRJOPRAEW-QWHCGFSZSA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000333162876 484455567 /nfs/dbraw/zinc/45/55/67/484455567.db2.gz GTAKASRJOPRAEW-STQMWFEESA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000333162876 484455563 /nfs/dbraw/zinc/45/55/63/484455563.db2.gz GTAKASRJOPRAEW-STQMWFEESA-N 2 1 371.507 -0.760 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333221351 484456474 /nfs/dbraw/zinc/45/64/74/484456474.db2.gz AAFJPORMKATJEA-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333221352 484456748 /nfs/dbraw/zinc/45/67/48/484456748.db2.gz AAFJPORMKATJEA-JYJNAYRXSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333269230 245002156 /nfs/dbraw/zinc/00/21/56/245002156.db2.gz KDOUIXUKBWEDRP-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333269231 245000501 /nfs/dbraw/zinc/00/05/01/245000501.db2.gz KDOUIXUKBWEDRP-GVDBMIGSSA-N 2 1 364.490 -0.090 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333274105 245002262 /nfs/dbraw/zinc/00/22/62/245002262.db2.gz OCKMYSFPAPTGQZ-HNNXBMFYSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333274105 245002259 /nfs/dbraw/zinc/00/22/59/245002259.db2.gz OCKMYSFPAPTGQZ-HNNXBMFYSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333274106 245000537 /nfs/dbraw/zinc/00/05/37/245000537.db2.gz OCKMYSFPAPTGQZ-OAHLLOKOSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333274106 245000533 /nfs/dbraw/zinc/00/05/33/245000533.db2.gz OCKMYSFPAPTGQZ-OAHLLOKOSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000333293026 245001349 /nfs/dbraw/zinc/00/13/49/245001349.db2.gz IBLIHLMOYJHHQS-CHWSQXEVSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000333293026 245001344 /nfs/dbraw/zinc/00/13/44/245001344.db2.gz IBLIHLMOYJHHQS-CHWSQXEVSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000333293028 245001725 /nfs/dbraw/zinc/00/17/25/245001725.db2.gz IBLIHLMOYJHHQS-OLZOCXBDSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000333293028 245001719 /nfs/dbraw/zinc/00/17/19/245001719.db2.gz IBLIHLMOYJHHQS-OLZOCXBDSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000333293030 245001761 /nfs/dbraw/zinc/00/17/61/245001761.db2.gz IBLIHLMOYJHHQS-QWHCGFSZSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000333293030 245001757 /nfs/dbraw/zinc/00/17/57/245001757.db2.gz IBLIHLMOYJHHQS-QWHCGFSZSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000333293032 245002244 /nfs/dbraw/zinc/00/22/44/245002244.db2.gz IBLIHLMOYJHHQS-STQMWFEESA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000333293032 245002241 /nfs/dbraw/zinc/00/22/41/245002241.db2.gz IBLIHLMOYJHHQS-STQMWFEESA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000333331788 245004654 /nfs/dbraw/zinc/00/46/54/245004654.db2.gz YUQDRNXXOBHABT-HNNXBMFYSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333331788 245004647 /nfs/dbraw/zinc/00/46/47/245004647.db2.gz YUQDRNXXOBHABT-HNNXBMFYSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000333331789 245004026 /nfs/dbraw/zinc/00/40/26/245004026.db2.gz YUQDRNXXOBHABT-OAHLLOKOSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333331789 245004021 /nfs/dbraw/zinc/00/40/21/245004021.db2.gz YUQDRNXXOBHABT-OAHLLOKOSA-N 2 1 369.510 -0.363 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333338123 245005221 /nfs/dbraw/zinc/00/52/21/245005221.db2.gz XMIWODVZZHZECS-OWCLPIDISA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333338126 245003146 /nfs/dbraw/zinc/00/31/46/245003146.db2.gz XMIWODVZZHZECS-PMPSAXMXSA-N 2 1 350.463 -0.480 20 0 FBADMP C[NH+](C)C1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333345239 245007297 /nfs/dbraw/zinc/00/72/97/245007297.db2.gz ZAYHQDLCIDGRQC-UHFFFAOYSA-N 2 1 373.523 -0.512 20 0 FBADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333346555 534983725 /nfs/dbraw/zinc/98/37/25/534983725.db2.gz ZKWCZVGSUWZJCU-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333346556 534984343 /nfs/dbraw/zinc/98/43/43/534984343.db2.gz ZKWCZVGSUWZJCU-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333346557 245006960 /nfs/dbraw/zinc/00/69/60/245006960.db2.gz ZKWCZVGSUWZJCU-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333346558 245006831 /nfs/dbraw/zinc/00/68/31/245006831.db2.gz ZKWCZVGSUWZJCU-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333355201 245006849 /nfs/dbraw/zinc/00/68/49/245006849.db2.gz KGFVBRBJUVXNFU-KBPBESRZSA-N 2 1 373.523 -0.512 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333355202 245006781 /nfs/dbraw/zinc/00/67/81/245006781.db2.gz KGFVBRBJUVXNFU-KGLIPLIRSA-N 2 1 373.523 -0.512 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333355203 245005559 /nfs/dbraw/zinc/00/55/59/245005559.db2.gz KGFVBRBJUVXNFU-UONOGXRCSA-N 2 1 373.523 -0.512 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333355204 245005904 /nfs/dbraw/zinc/00/59/04/245005904.db2.gz KGFVBRBJUVXNFU-ZIAGYGMSSA-N 2 1 373.523 -0.512 20 0 FBADMP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000333358127 245006707 /nfs/dbraw/zinc/00/67/07/245006707.db2.gz KRHCSGHEDVFJOY-GFCCVEGCSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000333358127 245006703 /nfs/dbraw/zinc/00/67/03/245006703.db2.gz KRHCSGHEDVFJOY-GFCCVEGCSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000333358129 245007016 /nfs/dbraw/zinc/00/70/16/245007016.db2.gz KRHCSGHEDVFJOY-LBPRGKRZSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000333358129 245007011 /nfs/dbraw/zinc/00/70/11/245007011.db2.gz KRHCSGHEDVFJOY-LBPRGKRZSA-N 2 1 359.496 -0.902 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333411961 245010714 /nfs/dbraw/zinc/01/07/14/245010714.db2.gz RINYPOQJBXJXJN-UHFFFAOYSA-N 2 1 373.523 -0.512 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418644 245011457 /nfs/dbraw/zinc/01/14/57/245011457.db2.gz SDSAXJBGCSUBIW-CABCVRRESA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418644 245011452 /nfs/dbraw/zinc/01/14/52/245011452.db2.gz SDSAXJBGCSUBIW-CABCVRRESA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418645 245012111 /nfs/dbraw/zinc/01/21/11/245012111.db2.gz SDSAXJBGCSUBIW-GJZGRUSLSA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418645 245012108 /nfs/dbraw/zinc/01/21/08/245012108.db2.gz SDSAXJBGCSUBIW-GJZGRUSLSA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418646 245010739 /nfs/dbraw/zinc/01/07/39/245010739.db2.gz SDSAXJBGCSUBIW-HUUCEWRRSA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418646 245010734 /nfs/dbraw/zinc/01/07/34/245010734.db2.gz SDSAXJBGCSUBIW-HUUCEWRRSA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418647 245011102 /nfs/dbraw/zinc/01/11/02/245011102.db2.gz SDSAXJBGCSUBIW-LSDHHAIUSA-N 2 1 353.467 -0.687 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333418647 245011098 /nfs/dbraw/zinc/01/10/98/245011098.db2.gz SDSAXJBGCSUBIW-LSDHHAIUSA-N 2 1 353.467 -0.687 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333432738 535505135 /nfs/dbraw/zinc/50/51/35/535505135.db2.gz UWHSWMWMLAPFJL-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333432738 535505131 /nfs/dbraw/zinc/50/51/31/535505131.db2.gz UWHSWMWMLAPFJL-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333432742 535481270 /nfs/dbraw/zinc/48/12/70/535481270.db2.gz UWHSWMWMLAPFJL-CQSZACIVSA-N 2 1 373.523 -0.510 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333432742 535481266 /nfs/dbraw/zinc/48/12/66/535481266.db2.gz UWHSWMWMLAPFJL-CQSZACIVSA-N 2 1 373.523 -0.510 20 0 FBADMP [NH3+]C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000333471891 245014287 /nfs/dbraw/zinc/01/42/87/245014287.db2.gz AWNZZOPUHXJTPB-AWEZNQCLSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+]C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000333471892 245014300 /nfs/dbraw/zinc/01/43/00/245014300.db2.gz AWNZZOPUHXJTPB-CQSZACIVSA-N 2 1 359.496 -0.867 20 0 FBADMP C[NH+](C)C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000333487254 245014123 /nfs/dbraw/zinc/01/41/23/245014123.db2.gz CBUPMJGYMRQESW-UHFFFAOYSA-N 2 1 359.496 -0.901 20 0 FBADMP C[N@@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000333533860 245018214 /nfs/dbraw/zinc/01/82/14/245018214.db2.gz IGYPTSHAWBKEKK-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP C[N@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000333533860 245018212 /nfs/dbraw/zinc/01/82/12/245018212.db2.gz IGYPTSHAWBKEKK-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000333552617 245019960 /nfs/dbraw/zinc/01/99/60/245019960.db2.gz JSGYRDHFMYBLGJ-CYBMUJFWSA-N 2 1 360.462 -0.102 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000333552626 245019877 /nfs/dbraw/zinc/01/98/77/245019877.db2.gz JSGYRDHFMYBLGJ-ZDUSSCGKSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC000333557665 245020671 /nfs/dbraw/zinc/02/06/71/245020671.db2.gz KLLNEKYRHNPSOC-LSDHHAIUSA-N 2 1 363.466 -0.980 20 0 FBADMP Cn1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333562979 245020045 /nfs/dbraw/zinc/02/00/45/245020045.db2.gz LFPVTGBUIVCITG-CABCVRRESA-N 2 1 374.489 -0.077 20 0 FBADMP Cn1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333562980 245021233 /nfs/dbraw/zinc/02/12/33/245021233.db2.gz LFPVTGBUIVCITG-GJZGRUSLSA-N 2 1 374.489 -0.077 20 0 FBADMP Cn1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333562984 245021402 /nfs/dbraw/zinc/02/14/02/245021402.db2.gz LFPVTGBUIVCITG-HUUCEWRRSA-N 2 1 374.489 -0.077 20 0 FBADMP Cn1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333562986 245020387 /nfs/dbraw/zinc/02/03/87/245020387.db2.gz LFPVTGBUIVCITG-LSDHHAIUSA-N 2 1 374.489 -0.077 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574425 245020933 /nfs/dbraw/zinc/02/09/33/245020933.db2.gz MWIIFKQGOKQRBR-CHWSQXEVSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574425 245020926 /nfs/dbraw/zinc/02/09/26/245020926.db2.gz MWIIFKQGOKQRBR-CHWSQXEVSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574427 245019253 /nfs/dbraw/zinc/01/92/53/245019253.db2.gz MWIIFKQGOKQRBR-OLZOCXBDSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574427 245019244 /nfs/dbraw/zinc/01/92/44/245019244.db2.gz MWIIFKQGOKQRBR-OLZOCXBDSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574428 245020954 /nfs/dbraw/zinc/02/09/54/245020954.db2.gz MWIIFKQGOKQRBR-QWHCGFSZSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@H]1CC2(C[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574428 245020946 /nfs/dbraw/zinc/02/09/46/245020946.db2.gz MWIIFKQGOKQRBR-QWHCGFSZSA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574429 245019331 /nfs/dbraw/zinc/01/93/31/245019331.db2.gz MWIIFKQGOKQRBR-STQMWFEESA-N 2 1 372.491 -0.537 20 0 FBADMP C[C@H]1CC2(C[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC000333574429 245019325 /nfs/dbraw/zinc/01/93/25/245019325.db2.gz MWIIFKQGOKQRBR-STQMWFEESA-N 2 1 372.491 -0.537 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000333590878 245019685 /nfs/dbraw/zinc/01/96/85/245019685.db2.gz PCOPCQFRXMSDNH-JKSUJKDBSA-N 2 1 363.510 -0.118 20 0 FBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000333634459 245022369 /nfs/dbraw/zinc/02/23/69/245022369.db2.gz SZGNXOZWVKXRRE-CYBMUJFWSA-N 2 1 371.507 -0.734 20 0 FBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000333634459 245022364 /nfs/dbraw/zinc/02/23/64/245022364.db2.gz SZGNXOZWVKXRRE-CYBMUJFWSA-N 2 1 371.507 -0.734 20 0 FBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000333634461 245024549 /nfs/dbraw/zinc/02/45/49/245024549.db2.gz SZGNXOZWVKXRRE-ZDUSSCGKSA-N 2 1 371.507 -0.734 20 0 FBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000333634461 245024543 /nfs/dbraw/zinc/02/45/43/245024543.db2.gz SZGNXOZWVKXRRE-ZDUSSCGKSA-N 2 1 371.507 -0.734 20 0 FBADMP C[NH+]1CCC(CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333641530 536337449 /nfs/dbraw/zinc/33/74/49/536337449.db2.gz ULBSQTZRYGFGBS-UHFFFAOYSA-N 2 1 373.523 -0.653 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333693353 245023976 /nfs/dbraw/zinc/02/39/76/245023976.db2.gz CSKYTPOVRHQKPV-CYBMUJFWSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333693353 245023970 /nfs/dbraw/zinc/02/39/70/245023970.db2.gz CSKYTPOVRHQKPV-CYBMUJFWSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333693355 245024955 /nfs/dbraw/zinc/02/49/55/245024955.db2.gz CSKYTPOVRHQKPV-ZDUSSCGKSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333693355 245024947 /nfs/dbraw/zinc/02/49/47/245024947.db2.gz CSKYTPOVRHQKPV-ZDUSSCGKSA-N 2 1 371.507 -0.901 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697246 535222624 /nfs/dbraw/zinc/22/26/24/535222624.db2.gz QJQQEDCHWGPAGI-DLBZAZTESA-N 2 1 369.510 -0.589 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697249 535222281 /nfs/dbraw/zinc/22/22/81/535222281.db2.gz QJQQEDCHWGPAGI-IAGOWNOFSA-N 2 1 369.510 -0.589 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697250 535213040 /nfs/dbraw/zinc/21/30/40/535213040.db2.gz QJQQEDCHWGPAGI-IRXDYDNUSA-N 2 1 369.510 -0.589 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697252 535212901 /nfs/dbraw/zinc/21/29/01/535212901.db2.gz QJQQEDCHWGPAGI-SJORKVTESA-N 2 1 369.510 -0.589 20 0 FBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000333756580 245026450 /nfs/dbraw/zinc/02/64/50/245026450.db2.gz ZUVUJFSFCPFQJM-CHWSQXEVSA-N 2 1 359.496 -0.997 20 0 FBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000333756591 245027604 /nfs/dbraw/zinc/02/76/04/245027604.db2.gz ZUVUJFSFCPFQJM-OLZOCXBDSA-N 2 1 359.496 -0.997 20 0 FBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000333756592 245027881 /nfs/dbraw/zinc/02/78/81/245027881.db2.gz ZUVUJFSFCPFQJM-QWHCGFSZSA-N 2 1 359.496 -0.997 20 0 FBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000333756593 245027671 /nfs/dbraw/zinc/02/76/71/245027671.db2.gz ZUVUJFSFCPFQJM-STQMWFEESA-N 2 1 359.496 -0.997 20 0 FBADMP [NH3+]C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000333762367 245025813 /nfs/dbraw/zinc/02/58/13/245025813.db2.gz AQMDDNUKZLBFOM-HNNXBMFYSA-N 2 1 373.523 -0.477 20 0 FBADMP [NH3+]C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000333762368 245025993 /nfs/dbraw/zinc/02/59/93/245025993.db2.gz AQMDDNUKZLBFOM-OAHLLOKOSA-N 2 1 373.523 -0.477 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333763446 245027446 /nfs/dbraw/zinc/02/74/46/245027446.db2.gz CZRASKZBTMIERK-AAEUAGOBSA-N 2 1 363.462 -0.299 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333763452 245027203 /nfs/dbraw/zinc/02/72/03/245027203.db2.gz CZRASKZBTMIERK-DGCLKSJQSA-N 2 1 363.462 -0.299 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333763456 245026353 /nfs/dbraw/zinc/02/63/53/245026353.db2.gz CZRASKZBTMIERK-WCQYABFASA-N 2 1 363.462 -0.299 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333763460 245027652 /nfs/dbraw/zinc/02/76/52/245027652.db2.gz CZRASKZBTMIERK-YPMHNXCESA-N 2 1 363.462 -0.299 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333771996 245027001 /nfs/dbraw/zinc/02/70/01/245027001.db2.gz CEBFXCAZMOGCAT-GXTWGEPZSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333772000 245027396 /nfs/dbraw/zinc/02/73/96/245027396.db2.gz CEBFXCAZMOGCAT-JSGCOSHPSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333772002 245026083 /nfs/dbraw/zinc/02/60/83/245026083.db2.gz CEBFXCAZMOGCAT-OCCSQVGLSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333772010 245028106 /nfs/dbraw/zinc/02/81/06/245028106.db2.gz CEBFXCAZMOGCAT-TZMCWYRMSA-N 2 1 359.496 -0.867 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333806645 536389319 /nfs/dbraw/zinc/38/93/19/536389319.db2.gz IOYOGCJKDNZJAR-CABCVRRESA-N 2 1 353.467 -0.687 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333806650 536389426 /nfs/dbraw/zinc/38/94/26/536389426.db2.gz IOYOGCJKDNZJAR-GJZGRUSLSA-N 2 1 353.467 -0.687 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333806656 536368055 /nfs/dbraw/zinc/36/80/55/536368055.db2.gz IOYOGCJKDNZJAR-HUUCEWRRSA-N 2 1 353.467 -0.687 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333806660 536367895 /nfs/dbraw/zinc/36/78/95/536367895.db2.gz IOYOGCJKDNZJAR-LSDHHAIUSA-N 2 1 353.467 -0.687 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333824680 245029256 /nfs/dbraw/zinc/02/92/56/245029256.db2.gz LKBBOGHVPSDNLM-HDJSIYSDSA-N 2 1 373.523 -0.620 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333825935 536358962 /nfs/dbraw/zinc/35/89/62/536358962.db2.gz LNYUNWYBUMZCLS-KRWDZBQOSA-N 2 1 352.527 -0.297 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333825936 536354801 /nfs/dbraw/zinc/35/48/01/536354801.db2.gz LNYUNWYBUMZCLS-QGZVFWFLSA-N 2 1 352.527 -0.297 20 0 FBADMP C[C@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000333825950 245030604 /nfs/dbraw/zinc/03/06/04/245030604.db2.gz LOFGSKGEGYODHJ-HNNXBMFYSA-N 2 1 359.496 -0.995 20 0 FBADMP C[C@@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000333825951 245029047 /nfs/dbraw/zinc/02/90/47/245029047.db2.gz LOFGSKGEGYODHJ-OAHLLOKOSA-N 2 1 359.496 -0.995 20 0 FBADMP CC1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000333831811 535133633 /nfs/dbraw/zinc/13/36/33/535133633.db2.gz MRGODSMMYYYMPX-UHFFFAOYSA-N 2 1 359.496 -0.995 20 0 FBADMP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000333846282 245028758 /nfs/dbraw/zinc/02/87/58/245028758.db2.gz WIIMUPXZDZDVGY-AWEZNQCLSA-N 2 1 373.523 -0.653 20 0 FBADMP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000333846283 245028804 /nfs/dbraw/zinc/02/88/04/245028804.db2.gz WIIMUPXZDZDVGY-CQSZACIVSA-N 2 1 373.523 -0.653 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000333849272 245029375 /nfs/dbraw/zinc/02/93/75/245029375.db2.gz MZRVTAVAXZHBGY-KBPBESRZSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000333849273 245031386 /nfs/dbraw/zinc/03/13/86/245031386.db2.gz MZRVTAVAXZHBGY-KGLIPLIRSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000333849274 245030830 /nfs/dbraw/zinc/03/08/30/245030830.db2.gz MZRVTAVAXZHBGY-UONOGXRCSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000333849275 245031330 /nfs/dbraw/zinc/03/13/30/245031330.db2.gz MZRVTAVAXZHBGY-ZIAGYGMSSA-N 2 1 360.462 -0.102 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000333855181 535213340 /nfs/dbraw/zinc/21/33/40/535213340.db2.gz QTXXKRUGMYDVFK-MWDXBVQZSA-N 2 1 351.495 -0.359 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000333855185 245030573 /nfs/dbraw/zinc/03/05/73/245030573.db2.gz QTXXKRUGMYDVFK-NCOADZHNSA-N 2 1 351.495 -0.359 20 0 FBADMP [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000333879535 245028851 /nfs/dbraw/zinc/02/88/51/245028851.db2.gz VYLROUUUCHZVOO-UHFFFAOYSA-N 2 1 359.496 -0.723 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900757 245030310 /nfs/dbraw/zinc/03/03/10/245030310.db2.gz BNODCMVVHHAXHZ-CABCVRRESA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900757 245030306 /nfs/dbraw/zinc/03/03/06/245030306.db2.gz BNODCMVVHHAXHZ-CABCVRRESA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900758 245028496 /nfs/dbraw/zinc/02/84/96/245028496.db2.gz BNODCMVVHHAXHZ-GJZGRUSLSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900758 245028487 /nfs/dbraw/zinc/02/84/87/245028487.db2.gz BNODCMVVHHAXHZ-GJZGRUSLSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900760 245029221 /nfs/dbraw/zinc/02/92/21/245029221.db2.gz BNODCMVVHHAXHZ-HUUCEWRRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900760 245029216 /nfs/dbraw/zinc/02/92/16/245029216.db2.gz BNODCMVVHHAXHZ-HUUCEWRRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900761 245030561 /nfs/dbraw/zinc/03/05/61/245030561.db2.gz BNODCMVVHHAXHZ-LSDHHAIUSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333900761 245030555 /nfs/dbraw/zinc/03/05/55/245030555.db2.gz BNODCMVVHHAXHZ-LSDHHAIUSA-N 2 1 371.507 -0.758 20 0 FBADMP CC1CC[NH+](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333903084 245033136 /nfs/dbraw/zinc/03/31/36/245033136.db2.gz BYTWIWJTYKVTDI-UHFFFAOYSA-N 2 1 373.523 -0.653 20 0 FBADMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333904818 245035019 /nfs/dbraw/zinc/03/50/19/245035019.db2.gz JNYUAHOKQIMMAU-UHFFFAOYSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333918765 245032390 /nfs/dbraw/zinc/03/23/90/245032390.db2.gz OMCGNGFBVIFMQB-BFHYXJOUSA-N 2 1 371.507 -0.997 20 0 FBADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333918766 245031986 /nfs/dbraw/zinc/03/19/86/245031986.db2.gz OMCGNGFBVIFMQB-HZSPNIEDSA-N 2 1 371.507 -0.997 20 0 FBADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333918767 245034017 /nfs/dbraw/zinc/03/40/17/245034017.db2.gz OMCGNGFBVIFMQB-MELADBBJSA-N 2 1 371.507 -0.997 20 0 FBADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333918768 245034927 /nfs/dbraw/zinc/03/49/27/245034927.db2.gz OMCGNGFBVIFMQB-MGPQQGTHSA-N 2 1 371.507 -0.997 20 0 FBADMP CC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333919252 535466146 /nfs/dbraw/zinc/46/61/46/535466146.db2.gz OXLNVPJCKWHNIY-UHFFFAOYSA-N 2 1 359.496 -0.901 20 0 FBADMP C[NH+](C)C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000333921999 245033008 /nfs/dbraw/zinc/03/30/08/245033008.db2.gz RABQBGKNXICPCD-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333943910 245032098 /nfs/dbraw/zinc/03/20/98/245032098.db2.gz RMGJAGJYZYUGOZ-AWEZNQCLSA-N 2 1 373.523 -0.653 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333943910 245032090 /nfs/dbraw/zinc/03/20/90/245032090.db2.gz RMGJAGJYZYUGOZ-AWEZNQCLSA-N 2 1 373.523 -0.653 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333943911 245033493 /nfs/dbraw/zinc/03/34/93/245033493.db2.gz RMGJAGJYZYUGOZ-CQSZACIVSA-N 2 1 373.523 -0.653 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333943911 245033487 /nfs/dbraw/zinc/03/34/87/245033487.db2.gz RMGJAGJYZYUGOZ-CQSZACIVSA-N 2 1 373.523 -0.653 20 0 FBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951986 245032175 /nfs/dbraw/zinc/03/21/75/245032175.db2.gz ZNOAPEYIZBXQIP-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951987 245033856 /nfs/dbraw/zinc/03/38/56/245033856.db2.gz ZNOAPEYIZBXQIP-CQSZACIVSA-N 2 1 373.523 -0.510 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@@H]21 ZINC000333966033 245034044 /nfs/dbraw/zinc/03/40/44/245034044.db2.gz QOXPIEQPTYAZKI-IKGGRYGDSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@@H]21 ZINC000333966033 245034042 /nfs/dbraw/zinc/03/40/42/245034042.db2.gz QOXPIEQPTYAZKI-IKGGRYGDSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@@H]21 ZINC000333966034 245035059 /nfs/dbraw/zinc/03/50/59/245035059.db2.gz QOXPIEQPTYAZKI-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@@H]21 ZINC000333966034 245035053 /nfs/dbraw/zinc/03/50/53/245035053.db2.gz QOXPIEQPTYAZKI-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000334088273 536388982 /nfs/dbraw/zinc/38/89/82/536388982.db2.gz MRMKZYHWTWCMDW-INIZCTEOSA-N 2 1 367.494 -0.343 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000334088273 536388980 /nfs/dbraw/zinc/38/89/80/536388980.db2.gz MRMKZYHWTWCMDW-INIZCTEOSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334088273 536388976 /nfs/dbraw/zinc/38/89/76/536388976.db2.gz MRMKZYHWTWCMDW-INIZCTEOSA-N 2 1 367.494 -0.343 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000334088282 536368448 /nfs/dbraw/zinc/36/84/48/536368448.db2.gz MRMKZYHWTWCMDW-MRXNPFEDSA-N 2 1 367.494 -0.343 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000334088282 536368447 /nfs/dbraw/zinc/36/84/47/536368447.db2.gz MRMKZYHWTWCMDW-MRXNPFEDSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334088282 536368443 /nfs/dbraw/zinc/36/84/43/536368443.db2.gz MRMKZYHWTWCMDW-MRXNPFEDSA-N 2 1 367.494 -0.343 20 0 FBADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000360263403 245043123 /nfs/dbraw/zinc/04/31/23/245043123.db2.gz ZXBKNVUNWIIGIY-GASCZTMLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000360263403 245043113 /nfs/dbraw/zinc/04/31/13/245043113.db2.gz ZXBKNVUNWIIGIY-GASCZTMLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000360263404 245043631 /nfs/dbraw/zinc/04/36/31/245043631.db2.gz ZXBKNVUNWIIGIY-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@@H](C)O1 ZINC000360263405 245044602 /nfs/dbraw/zinc/04/46/02/245044602.db2.gz ZXBKNVUNWIIGIY-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000361120938 245051886 /nfs/dbraw/zinc/05/18/86/245051886.db2.gz DJTBFQSSXQXUIP-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000361120938 245051879 /nfs/dbraw/zinc/05/18/79/245051879.db2.gz DJTBFQSSXQXUIP-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP CC[NH+]1CCO[C@H](CN2CCN(C(=O)NCC[N@@H+](C)CCOC)CC2)C1 ZINC000361439110 245060278 /nfs/dbraw/zinc/06/02/78/245060278.db2.gz FVRADJQECBVUCQ-KRWDZBQOSA-N 2 1 371.526 -0.388 20 0 FBADMP CC[NH+]1CCO[C@H](CN2CCN(C(=O)NCC[N@H+](C)CCOC)CC2)C1 ZINC000361439110 245060269 /nfs/dbraw/zinc/06/02/69/245060269.db2.gz FVRADJQECBVUCQ-KRWDZBQOSA-N 2 1 371.526 -0.388 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC[NH+](C)CCOC)CC2)C1 ZINC000361439110 245060255 /nfs/dbraw/zinc/06/02/55/245060255.db2.gz FVRADJQECBVUCQ-KRWDZBQOSA-N 2 1 371.526 -0.388 20 0 FBADMP CCN1CCO[C@H](CN2CCN(C(=O)NCC[N@@H+](C)CCOC)CC2)C1 ZINC000361439110 245060250 /nfs/dbraw/zinc/06/02/50/245060250.db2.gz FVRADJQECBVUCQ-KRWDZBQOSA-N 2 1 371.526 -0.388 20 0 FBADMP CC[NH+]1CCO[C@@H](CN2CCN(C(=O)NCC[N@@H+](C)CCOC)CC2)C1 ZINC000361439111 245058262 /nfs/dbraw/zinc/05/82/62/245058262.db2.gz FVRADJQECBVUCQ-QGZVFWFLSA-N 2 1 371.526 -0.388 20 0 FBADMP CC[NH+]1CCO[C@@H](CN2CCN(C(=O)NCC[N@H+](C)CCOC)CC2)C1 ZINC000361439111 245058257 /nfs/dbraw/zinc/05/82/57/245058257.db2.gz FVRADJQECBVUCQ-QGZVFWFLSA-N 2 1 371.526 -0.388 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC[NH+](C)CCOC)CC2)C1 ZINC000361439111 245058243 /nfs/dbraw/zinc/05/82/43/245058243.db2.gz FVRADJQECBVUCQ-QGZVFWFLSA-N 2 1 371.526 -0.388 20 0 FBADMP CCN1CCO[C@@H](CN2CCN(C(=O)NCC[N@@H+](C)CCOC)CC2)C1 ZINC000361439111 245058235 /nfs/dbraw/zinc/05/82/35/245058235.db2.gz FVRADJQECBVUCQ-QGZVFWFLSA-N 2 1 371.526 -0.388 20 0 FBADMP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362120569 245066613 /nfs/dbraw/zinc/06/66/13/245066613.db2.gz WGDUHFLTOGGHOE-DLBZAZTESA-N 2 1 363.506 -0.469 20 0 FBADMP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362120570 245067847 /nfs/dbraw/zinc/06/78/47/245067847.db2.gz WGDUHFLTOGGHOE-IAGOWNOFSA-N 2 1 363.506 -0.469 20 0 FBADMP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362120572 245067535 /nfs/dbraw/zinc/06/75/35/245067535.db2.gz WGDUHFLTOGGHOE-IRXDYDNUSA-N 2 1 363.506 -0.469 20 0 FBADMP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362120575 245065624 /nfs/dbraw/zinc/06/56/24/245065624.db2.gz WGDUHFLTOGGHOE-SJORKVTESA-N 2 1 363.506 -0.469 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000363147679 245093342 /nfs/dbraw/zinc/09/33/42/245093342.db2.gz YHTYVDQNXJXBJA-INIZCTEOSA-N 2 1 351.495 -0.611 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000363147680 245093007 /nfs/dbraw/zinc/09/30/07/245093007.db2.gz YHTYVDQNXJXBJA-MRXNPFEDSA-N 2 1 351.495 -0.611 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363221115 536789231 /nfs/dbraw/zinc/78/92/31/536789231.db2.gz MSCXWVMTUQGNMQ-KRWDZBQOSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363221115 536789230 /nfs/dbraw/zinc/78/92/30/536789230.db2.gz MSCXWVMTUQGNMQ-KRWDZBQOSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363221115 536789227 /nfs/dbraw/zinc/78/92/27/536789227.db2.gz MSCXWVMTUQGNMQ-KRWDZBQOSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363221116 536789142 /nfs/dbraw/zinc/78/91/42/536789142.db2.gz MSCXWVMTUQGNMQ-QGZVFWFLSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363221116 536789139 /nfs/dbraw/zinc/78/91/39/536789139.db2.gz MSCXWVMTUQGNMQ-QGZVFWFLSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363221116 536789135 /nfs/dbraw/zinc/78/91/35/536789135.db2.gz MSCXWVMTUQGNMQ-QGZVFWFLSA-N 2 1 371.526 -0.340 20 0 FBADMP CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363348693 245109878 /nfs/dbraw/zinc/10/98/78/245109878.db2.gz JMBCXWDDGHPNNF-AWEZNQCLSA-N 2 1 365.478 -0.056 20 0 FBADMP CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363348694 245108162 /nfs/dbraw/zinc/10/81/62/245108162.db2.gz JMBCXWDDGHPNNF-CQSZACIVSA-N 2 1 365.478 -0.056 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363389807 245113030 /nfs/dbraw/zinc/11/30/30/245113030.db2.gz GDGMZKHWLBOUQM-CVEARBPZSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363389808 245112265 /nfs/dbraw/zinc/11/22/65/245112265.db2.gz GDGMZKHWLBOUQM-HOTGVXAUSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363389809 245111909 /nfs/dbraw/zinc/11/19/09/245111909.db2.gz GDGMZKHWLBOUQM-HZPDHXFCSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363389810 245110681 /nfs/dbraw/zinc/11/06/81/245110681.db2.gz GDGMZKHWLBOUQM-JKSUJKDBSA-N 2 1 364.490 -0.232 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2(N3CCOCC3)CCCC2)CC1 ZINC000363407677 245113448 /nfs/dbraw/zinc/11/34/48/245113448.db2.gz CPTBBQMDPBLCEH-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP CN(C)CC(=O)N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000363413327 245112782 /nfs/dbraw/zinc/11/27/82/245112782.db2.gz AZDUXVNIONDHNL-UHFFFAOYSA-N 2 1 351.451 -0.443 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363465470 245116389 /nfs/dbraw/zinc/11/63/89/245116389.db2.gz OJBWULRPMKQJMS-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP COC(=O)CNC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000363510559 483963845 /nfs/dbraw/zinc/96/38/45/483963845.db2.gz LHZKYNBBRRKAOD-UHFFFAOYSA-N 2 1 368.478 -0.458 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000363512609 483996313 /nfs/dbraw/zinc/99/63/13/483996313.db2.gz XLPQKJJKTPKSRW-UHFFFAOYSA-N 2 1 365.478 -0.196 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000363553189 245122224 /nfs/dbraw/zinc/12/22/24/245122224.db2.gz MXMBBAOLFKWMOC-DLBZAZTESA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000363553189 245122216 /nfs/dbraw/zinc/12/22/16/245122216.db2.gz MXMBBAOLFKWMOC-DLBZAZTESA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000363553189 245122210 /nfs/dbraw/zinc/12/22/10/245122210.db2.gz MXMBBAOLFKWMOC-DLBZAZTESA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000363553190 245121912 /nfs/dbraw/zinc/12/19/12/245121912.db2.gz MXMBBAOLFKWMOC-IAGOWNOFSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000363553190 245121905 /nfs/dbraw/zinc/12/19/05/245121905.db2.gz MXMBBAOLFKWMOC-IAGOWNOFSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000363553190 245121892 /nfs/dbraw/zinc/12/18/92/245121892.db2.gz MXMBBAOLFKWMOC-IAGOWNOFSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000363553191 245121378 /nfs/dbraw/zinc/12/13/78/245121378.db2.gz MXMBBAOLFKWMOC-IRXDYDNUSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000363553191 245121375 /nfs/dbraw/zinc/12/13/75/245121375.db2.gz MXMBBAOLFKWMOC-IRXDYDNUSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000363553191 245121369 /nfs/dbraw/zinc/12/13/69/245121369.db2.gz MXMBBAOLFKWMOC-IRXDYDNUSA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000363553192 245120994 /nfs/dbraw/zinc/12/09/94/245120994.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000363553192 245120988 /nfs/dbraw/zinc/12/09/88/245120988.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 2 1 369.510 -0.587 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000363553192 245120981 /nfs/dbraw/zinc/12/09/81/245120981.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 2 1 369.510 -0.587 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560583 245122878 /nfs/dbraw/zinc/12/28/78/245122878.db2.gz QGMLJHQMFSHWNC-ILXRZTDVSA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560583 245122875 /nfs/dbraw/zinc/12/28/75/245122875.db2.gz QGMLJHQMFSHWNC-ILXRZTDVSA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560583 245122869 /nfs/dbraw/zinc/12/28/69/245122869.db2.gz QGMLJHQMFSHWNC-ILXRZTDVSA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560583 245122863 /nfs/dbraw/zinc/12/28/63/245122863.db2.gz QGMLJHQMFSHWNC-ILXRZTDVSA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560584 245122453 /nfs/dbraw/zinc/12/24/53/245122453.db2.gz QGMLJHQMFSHWNC-KFWWJZLASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560584 245122448 /nfs/dbraw/zinc/12/24/48/245122448.db2.gz QGMLJHQMFSHWNC-KFWWJZLASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560584 245122444 /nfs/dbraw/zinc/12/24/44/245122444.db2.gz QGMLJHQMFSHWNC-KFWWJZLASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560584 245122437 /nfs/dbraw/zinc/12/24/37/245122437.db2.gz QGMLJHQMFSHWNC-KFWWJZLASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560585 245122365 /nfs/dbraw/zinc/12/23/65/245122365.db2.gz QGMLJHQMFSHWNC-QLFBSQMISA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560585 245122361 /nfs/dbraw/zinc/12/23/61/245122361.db2.gz QGMLJHQMFSHWNC-QLFBSQMISA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560585 245122355 /nfs/dbraw/zinc/12/23/55/245122355.db2.gz QGMLJHQMFSHWNC-QLFBSQMISA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)c2c(=O)n(C)c1=O ZINC000363560585 245122349 /nfs/dbraw/zinc/12/23/49/245122349.db2.gz QGMLJHQMFSHWNC-QLFBSQMISA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560586 245122844 /nfs/dbraw/zinc/12/28/44/245122844.db2.gz QGMLJHQMFSHWNC-RBSFLKMASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560586 245122840 /nfs/dbraw/zinc/12/28/40/245122840.db2.gz QGMLJHQMFSHWNC-RBSFLKMASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560586 245122834 /nfs/dbraw/zinc/12/28/34/245122834.db2.gz QGMLJHQMFSHWNC-RBSFLKMASA-N 2 1 372.473 -0.150 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000363560586 245122822 /nfs/dbraw/zinc/12/28/22/245122822.db2.gz QGMLJHQMFSHWNC-RBSFLKMASA-N 2 1 372.473 -0.150 20 0 FBADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)CC1 ZINC000363794558 245137667 /nfs/dbraw/zinc/13/76/67/245137667.db2.gz LNAHBGKWFIHOJW-UHFFFAOYSA-N 2 1 351.495 -0.706 20 0 FBADMP C[C@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)N(C)C ZINC000363797075 245137605 /nfs/dbraw/zinc/13/76/05/245137605.db2.gz DYHAGBMFEFDWEX-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)N(C)C ZINC000363797077 245139407 /nfs/dbraw/zinc/13/94/07/245139407.db2.gz DYHAGBMFEFDWEX-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000363835436 536389363 /nfs/dbraw/zinc/38/93/63/536389363.db2.gz YDUNPSQQAXTCFQ-INIZCTEOSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000363835436 536389360 /nfs/dbraw/zinc/38/93/60/536389360.db2.gz YDUNPSQQAXTCFQ-INIZCTEOSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000363835440 536368682 /nfs/dbraw/zinc/36/86/82/536368682.db2.gz YDUNPSQQAXTCFQ-MRXNPFEDSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000363835440 536368679 /nfs/dbraw/zinc/36/86/79/536368679.db2.gz YDUNPSQQAXTCFQ-MRXNPFEDSA-N 2 1 367.494 -0.343 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC000363966373 245145643 /nfs/dbraw/zinc/14/56/43/245145643.db2.gz RICBPZUBWZCCTJ-DZGCQCFKSA-N 2 1 350.467 -0.426 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC000363966373 245145638 /nfs/dbraw/zinc/14/56/38/245145638.db2.gz RICBPZUBWZCCTJ-DZGCQCFKSA-N 2 1 350.467 -0.426 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC000363966376 245146172 /nfs/dbraw/zinc/14/61/72/245146172.db2.gz RICBPZUBWZCCTJ-ZFWWWQNUSA-N 2 1 350.467 -0.426 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC000363966376 245146168 /nfs/dbraw/zinc/14/61/68/245146168.db2.gz RICBPZUBWZCCTJ-ZFWWWQNUSA-N 2 1 350.467 -0.426 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1 ZINC000363996586 536402753 /nfs/dbraw/zinc/40/27/53/536402753.db2.gz FJQIIIMJQTUQKF-UHFFFAOYSA-N 2 1 369.510 -0.361 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1 ZINC000363996586 536402750 /nfs/dbraw/zinc/40/27/50/536402750.db2.gz FJQIIIMJQTUQKF-UHFFFAOYSA-N 2 1 369.510 -0.361 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000364412419 245170395 /nfs/dbraw/zinc/17/03/95/245170395.db2.gz NCEOQOFQLUGHHW-DLBZAZTESA-N 2 1 353.511 -0.014 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000364412423 535962883 /nfs/dbraw/zinc/96/28/83/535962883.db2.gz NCEOQOFQLUGHHW-IAGOWNOFSA-N 2 1 353.511 -0.014 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000364412424 245171360 /nfs/dbraw/zinc/17/13/60/245171360.db2.gz NCEOQOFQLUGHHW-IRXDYDNUSA-N 2 1 353.511 -0.014 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000364412425 535964065 /nfs/dbraw/zinc/96/40/65/535964065.db2.gz NCEOQOFQLUGHHW-SJORKVTESA-N 2 1 353.511 -0.014 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1=O ZINC000364601988 535877706 /nfs/dbraw/zinc/87/77/06/535877706.db2.gz DTEIZUJWVPOXNU-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1=O ZINC000364601989 535880175 /nfs/dbraw/zinc/88/01/75/535880175.db2.gz DTEIZUJWVPOXNU-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364715755 536166843 /nfs/dbraw/zinc/16/68/43/536166843.db2.gz UBHRJXJQMKAUJK-HNNXBMFYSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364715755 536166839 /nfs/dbraw/zinc/16/68/39/536166839.db2.gz UBHRJXJQMKAUJK-HNNXBMFYSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364715760 536166711 /nfs/dbraw/zinc/16/67/11/536166711.db2.gz UBHRJXJQMKAUJK-OAHLLOKOSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364715760 536166706 /nfs/dbraw/zinc/16/67/06/536166706.db2.gz UBHRJXJQMKAUJK-OAHLLOKOSA-N 2 1 363.462 -0.306 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364731315 245193019 /nfs/dbraw/zinc/19/30/19/245193019.db2.gz AJEMCWDMCHWUEX-KRWDZBQOSA-N 2 1 369.510 -0.586 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364731315 245193014 /nfs/dbraw/zinc/19/30/14/245193014.db2.gz AJEMCWDMCHWUEX-KRWDZBQOSA-N 2 1 369.510 -0.586 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364731315 245193009 /nfs/dbraw/zinc/19/30/09/245193009.db2.gz AJEMCWDMCHWUEX-KRWDZBQOSA-N 2 1 369.510 -0.586 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364731316 245192152 /nfs/dbraw/zinc/19/21/52/245192152.db2.gz AJEMCWDMCHWUEX-QGZVFWFLSA-N 2 1 369.510 -0.586 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364731316 245192147 /nfs/dbraw/zinc/19/21/47/245192147.db2.gz AJEMCWDMCHWUEX-QGZVFWFLSA-N 2 1 369.510 -0.586 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364731316 245192141 /nfs/dbraw/zinc/19/21/41/245192141.db2.gz AJEMCWDMCHWUEX-QGZVFWFLSA-N 2 1 369.510 -0.586 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870630 245201017 /nfs/dbraw/zinc/20/10/17/245201017.db2.gz VJNKGBKZTMSKQI-CVEARBPZSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870630 245201013 /nfs/dbraw/zinc/20/10/13/245201013.db2.gz VJNKGBKZTMSKQI-CVEARBPZSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870638 245200412 /nfs/dbraw/zinc/20/04/12/245200412.db2.gz VJNKGBKZTMSKQI-HOTGVXAUSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870638 245200403 /nfs/dbraw/zinc/20/04/03/245200403.db2.gz VJNKGBKZTMSKQI-HOTGVXAUSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870639 245200569 /nfs/dbraw/zinc/20/05/69/245200569.db2.gz VJNKGBKZTMSKQI-HZPDHXFCSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870639 245200565 /nfs/dbraw/zinc/20/05/65/245200565.db2.gz VJNKGBKZTMSKQI-HZPDHXFCSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870641 245201480 /nfs/dbraw/zinc/20/14/80/245201480.db2.gz VJNKGBKZTMSKQI-JKSUJKDBSA-N 2 1 356.536 -0.054 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000364870641 245201477 /nfs/dbraw/zinc/20/14/77/245201477.db2.gz VJNKGBKZTMSKQI-JKSUJKDBSA-N 2 1 356.536 -0.054 20 0 FBADMP CN1CCN(c2cc(N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ncn2)CC1=O ZINC000364911057 245201388 /nfs/dbraw/zinc/20/13/88/245201388.db2.gz XKAZMSHQDCRWBL-INIZCTEOSA-N 2 1 373.505 -0.029 20 0 FBADMP CN1CCN(c2cc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ncn2)CC1=O ZINC000364911058 245200703 /nfs/dbraw/zinc/20/07/03/245200703.db2.gz XKAZMSHQDCRWBL-MRXNPFEDSA-N 2 1 373.505 -0.029 20 0 FBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@]1(N2CCOCC2)CCCOC1 ZINC000365049115 245209894 /nfs/dbraw/zinc/20/98/94/245209894.db2.gz YGTNRXNHYUBIAB-GOSISDBHSA-N 2 1 369.510 -0.296 20 0 FBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000365049122 245209770 /nfs/dbraw/zinc/20/97/70/245209770.db2.gz YGTNRXNHYUBIAB-SFHVURJKSA-N 2 1 369.510 -0.296 20 0 FBADMP CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365206738 245217708 /nfs/dbraw/zinc/21/77/08/245217708.db2.gz ILZUHUGGMATXSW-CYBMUJFWSA-N 2 1 365.434 -0.966 20 0 FBADMP CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365206739 245215928 /nfs/dbraw/zinc/21/59/28/245215928.db2.gz ILZUHUGGMATXSW-ZDUSSCGKSA-N 2 1 365.434 -0.966 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2(CO)CCOCC2)C1 ZINC000365270364 535110105 /nfs/dbraw/zinc/11/01/05/535110105.db2.gz VWVDXMBPKHSIBW-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2(CO)CCOCC2)C1 ZINC000365270364 535110098 /nfs/dbraw/zinc/11/00/98/535110098.db2.gz VWVDXMBPKHSIBW-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(CO)CCOCC2)C1 ZINC000365270364 535110093 /nfs/dbraw/zinc/11/00/93/535110093.db2.gz VWVDXMBPKHSIBW-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2(CO)CCOCC2)C1 ZINC000365270365 245222589 /nfs/dbraw/zinc/22/25/89/245222589.db2.gz VWVDXMBPKHSIBW-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2(CO)CCOCC2)C1 ZINC000365270365 245222582 /nfs/dbraw/zinc/22/25/82/245222582.db2.gz VWVDXMBPKHSIBW-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2(CO)CCOCC2)C1 ZINC000365270365 245222576 /nfs/dbraw/zinc/22/25/76/245222576.db2.gz VWVDXMBPKHSIBW-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+]1C[C@H]2CN(C(=O)COCC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000365506801 536489103 /nfs/dbraw/zinc/48/91/03/536489103.db2.gz JLJXODIJDKKYJL-GEEKYZPCSA-N 2 1 350.463 -0.957 20 0 FBADMP CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1=O ZINC000365692007 536324090 /nfs/dbraw/zinc/32/40/90/536324090.db2.gz QPIZJZCYVUTTQF-CXAGYDPISA-N 2 1 366.466 -0.457 20 0 FBADMP CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1=O ZINC000365692008 245240849 /nfs/dbraw/zinc/24/08/49/245240849.db2.gz QPIZJZCYVUTTQF-DYVFJYSZSA-N 2 1 366.466 -0.457 20 0 FBADMP CN1C(=O)N[C@]2(CCC[C@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1=O ZINC000365692009 245242116 /nfs/dbraw/zinc/24/21/16/245242116.db2.gz QPIZJZCYVUTTQF-GUYCJALGSA-N 2 1 366.466 -0.457 20 0 FBADMP CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1=O ZINC000365692010 536324350 /nfs/dbraw/zinc/32/43/50/536324350.db2.gz QPIZJZCYVUTTQF-SUMWQHHRSA-N 2 1 366.466 -0.457 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000365695971 245241394 /nfs/dbraw/zinc/24/13/94/245241394.db2.gz MWWCUHMNDHRLJV-CVEARBPZSA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695971 245241388 /nfs/dbraw/zinc/24/13/88/245241388.db2.gz MWWCUHMNDHRLJV-CVEARBPZSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000365695973 535879826 /nfs/dbraw/zinc/87/98/26/535879826.db2.gz MWWCUHMNDHRLJV-HOTGVXAUSA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695973 535879820 /nfs/dbraw/zinc/87/98/20/535879820.db2.gz MWWCUHMNDHRLJV-HOTGVXAUSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000365695974 245242132 /nfs/dbraw/zinc/24/21/32/245242132.db2.gz MWWCUHMNDHRLJV-HZPDHXFCSA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695974 245242127 /nfs/dbraw/zinc/24/21/27/245242127.db2.gz MWWCUHMNDHRLJV-HZPDHXFCSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000365695975 535879586 /nfs/dbraw/zinc/87/95/86/535879586.db2.gz MWWCUHMNDHRLJV-JKSUJKDBSA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695975 535879583 /nfs/dbraw/zinc/87/95/83/535879583.db2.gz MWWCUHMNDHRLJV-JKSUJKDBSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696776 245240363 /nfs/dbraw/zinc/24/03/63/245240363.db2.gz TWLCYZZBEJPWRO-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696776 245240353 /nfs/dbraw/zinc/24/03/53/245240353.db2.gz TWLCYZZBEJPWRO-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696777 245242450 /nfs/dbraw/zinc/24/24/50/245242450.db2.gz TWLCYZZBEJPWRO-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696777 245242445 /nfs/dbraw/zinc/24/24/45/245242445.db2.gz TWLCYZZBEJPWRO-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696778 245241598 /nfs/dbraw/zinc/24/15/98/245241598.db2.gz TWLCYZZBEJPWRO-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696778 245241590 /nfs/dbraw/zinc/24/15/90/245241590.db2.gz TWLCYZZBEJPWRO-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696779 245240790 /nfs/dbraw/zinc/24/07/90/245240790.db2.gz TWLCYZZBEJPWRO-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696779 245240784 /nfs/dbraw/zinc/24/07/84/245240784.db2.gz TWLCYZZBEJPWRO-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP COC(=O)c1cn(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000365984898 245254614 /nfs/dbraw/zinc/25/46/14/245254614.db2.gz BOMAROQGLBLURD-UHFFFAOYSA-N 2 1 364.450 -0.134 20 0 FBADMP NC(=O)CN1CCc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2C1 ZINC000366080826 483933547 /nfs/dbraw/zinc/93/35/47/483933547.db2.gz BGKUZWAGNKCDLT-KRWDZBQOSA-N 2 1 357.458 -0.142 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000366107266 535117237 /nfs/dbraw/zinc/11/72/37/535117237.db2.gz GUNKMAGIOHQABZ-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000366107266 535117233 /nfs/dbraw/zinc/11/72/33/535117233.db2.gz GUNKMAGIOHQABZ-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107266 535117226 /nfs/dbraw/zinc/11/72/26/535117226.db2.gz GUNKMAGIOHQABZ-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000366107267 535110237 /nfs/dbraw/zinc/11/02/37/535110237.db2.gz GUNKMAGIOHQABZ-KSZLIROESA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000366107267 535110233 /nfs/dbraw/zinc/11/02/33/535110233.db2.gz GUNKMAGIOHQABZ-KSZLIROESA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107267 535110226 /nfs/dbraw/zinc/11/02/26/535110226.db2.gz GUNKMAGIOHQABZ-KSZLIROESA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@H](C)C2)C1 ZINC000366107268 535119085 /nfs/dbraw/zinc/11/90/85/535119085.db2.gz GUNKMAGIOHQABZ-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107269 535116784 /nfs/dbraw/zinc/11/67/84/535116784.db2.gz GUNKMAGIOHQABZ-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366116581 245264141 /nfs/dbraw/zinc/26/41/41/245264141.db2.gz BDRWSOHZMSLWGR-KBUPBQIOSA-N 2 1 356.467 -0.694 20 0 FBADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366116582 245264338 /nfs/dbraw/zinc/26/43/38/245264338.db2.gz BDRWSOHZMSLWGR-KBXIAJHMSA-N 2 1 356.467 -0.694 20 0 FBADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366116583 245264813 /nfs/dbraw/zinc/26/48/13/245264813.db2.gz BDRWSOHZMSLWGR-TUVASFSCSA-N 2 1 356.467 -0.694 20 0 FBADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119850 245263077 /nfs/dbraw/zinc/26/30/77/245263077.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 2 1 370.494 -0.304 20 0 FBADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119851 245262813 /nfs/dbraw/zinc/26/28/13/245262813.db2.gz PUZQYXGDYOBXJP-KLHDSHLOSA-N 2 1 370.494 -0.304 20 0 FBADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119852 245263482 /nfs/dbraw/zinc/26/34/82/245263482.db2.gz PUZQYXGDYOBXJP-WCVJEAGWSA-N 2 1 370.494 -0.304 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415548 535117077 /nfs/dbraw/zinc/11/70/77/535117077.db2.gz KCSVRKJGVGKFAT-ILXRZTDVSA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415548 535117074 /nfs/dbraw/zinc/11/70/74/535117074.db2.gz KCSVRKJGVGKFAT-ILXRZTDVSA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415548 535117066 /nfs/dbraw/zinc/11/70/66/535117066.db2.gz KCSVRKJGVGKFAT-ILXRZTDVSA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415549 535117631 /nfs/dbraw/zinc/11/76/31/535117631.db2.gz KCSVRKJGVGKFAT-KFWWJZLASA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415549 535117627 /nfs/dbraw/zinc/11/76/27/535117627.db2.gz KCSVRKJGVGKFAT-KFWWJZLASA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415549 535117619 /nfs/dbraw/zinc/11/76/19/535117619.db2.gz KCSVRKJGVGKFAT-KFWWJZLASA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415550 535118835 /nfs/dbraw/zinc/11/88/35/535118835.db2.gz KCSVRKJGVGKFAT-QLFBSQMISA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415550 535118829 /nfs/dbraw/zinc/11/88/29/535118829.db2.gz KCSVRKJGVGKFAT-QLFBSQMISA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415550 535118827 /nfs/dbraw/zinc/11/88/27/535118827.db2.gz KCSVRKJGVGKFAT-QLFBSQMISA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415551 535118052 /nfs/dbraw/zinc/11/80/52/535118052.db2.gz KCSVRKJGVGKFAT-RBSFLKMASA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415551 535118048 /nfs/dbraw/zinc/11/80/48/535118048.db2.gz KCSVRKJGVGKFAT-RBSFLKMASA-N 2 1 366.462 -0.946 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415551 535118043 /nfs/dbraw/zinc/11/80/43/535118043.db2.gz KCSVRKJGVGKFAT-RBSFLKMASA-N 2 1 366.462 -0.946 20 0 FBADMP CN1CCN(C2CCN(S(=O)(=O)CCN3CCCC3)CC2)C(=O)C1 ZINC000366503676 245287889 /nfs/dbraw/zinc/28/78/89/245287889.db2.gz FVCBCJZYRZZWFF-UHFFFAOYSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000366582132 484099671 /nfs/dbraw/zinc/09/96/71/484099671.db2.gz IGOJUFQUIUKJTB-ARFHVFGLSA-N 2 1 374.489 0.326 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000366582134 484099050 /nfs/dbraw/zinc/09/90/50/484099050.db2.gz IGOJUFQUIUKJTB-JYJNAYRXSA-N 2 1 374.489 0.326 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000366582135 484099707 /nfs/dbraw/zinc/09/97/07/484099707.db2.gz IGOJUFQUIUKJTB-XHSDSOJGSA-N 2 1 374.489 0.326 20 0 FBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[N@@H+]3CC=CCC3)n2)CC1 ZINC000366601754 484134646 /nfs/dbraw/zinc/13/46/46/484134646.db2.gz ZNZYFPUMZOZTAX-UHFFFAOYSA-N 2 1 360.462 0.466 20 0 FBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[N@H+]3CC=CCC3)n2)CC1 ZINC000366601754 484134638 /nfs/dbraw/zinc/13/46/38/484134638.db2.gz ZNZYFPUMZOZTAX-UHFFFAOYSA-N 2 1 360.462 0.466 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000366607779 535970578 /nfs/dbraw/zinc/97/05/78/535970578.db2.gz KQWLVOQKABKFQD-GOSISDBHSA-N 2 1 369.510 -0.315 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000366607780 535949740 /nfs/dbraw/zinc/94/97/40/535949740.db2.gz KQWLVOQKABKFQD-SFHVURJKSA-N 2 1 369.510 -0.315 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000366624484 535635544 /nfs/dbraw/zinc/63/55/44/535635544.db2.gz DGSOJORREPIZIG-RDJZCZTQSA-N 2 1 365.522 -0.047 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000366624484 535635539 /nfs/dbraw/zinc/63/55/39/535635539.db2.gz DGSOJORREPIZIG-RDJZCZTQSA-N 2 1 365.522 -0.047 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000366624486 245292893 /nfs/dbraw/zinc/29/28/93/245292893.db2.gz DGSOJORREPIZIG-WBVHZDCISA-N 2 1 365.522 -0.047 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000366624486 245292886 /nfs/dbraw/zinc/29/28/86/245292886.db2.gz DGSOJORREPIZIG-WBVHZDCISA-N 2 1 365.522 -0.047 20 0 FBADMP C[NH+](CCNC(=O)C[C@@]1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624775 536376583 /nfs/dbraw/zinc/37/65/83/536376583.db2.gz GSPKAZGOTKAMLZ-IBGZPJMESA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](CCNC(=O)C[C@@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624775 536376581 /nfs/dbraw/zinc/37/65/81/536376581.db2.gz GSPKAZGOTKAMLZ-IBGZPJMESA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](CCNC(=O)[C@]1(CC(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624775 536376579 /nfs/dbraw/zinc/37/65/79/536376579.db2.gz GSPKAZGOTKAMLZ-IBGZPJMESA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](CCNC(=O)C[C@]1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624781 536376528 /nfs/dbraw/zinc/37/65/28/536376528.db2.gz GSPKAZGOTKAMLZ-LJQANCHMSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](CCNC(=O)C[C@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624781 536376527 /nfs/dbraw/zinc/37/65/27/536376527.db2.gz GSPKAZGOTKAMLZ-LJQANCHMSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](CCNC(=O)[C@@]1(CC(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624781 536376525 /nfs/dbraw/zinc/37/65/25/536376525.db2.gz GSPKAZGOTKAMLZ-LJQANCHMSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000366880368 536402144 /nfs/dbraw/zinc/40/21/44/536402144.db2.gz HQYDKEOBTAUTSB-UHFFFAOYSA-N 2 1 374.489 -0.143 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000366880368 536402141 /nfs/dbraw/zinc/40/21/41/536402141.db2.gz HQYDKEOBTAUTSB-UHFFFAOYSA-N 2 1 374.489 -0.143 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997544 535552814 /nfs/dbraw/zinc/55/28/14/535552814.db2.gz RYRMAWBQMOEELF-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997545 245310222 /nfs/dbraw/zinc/31/02/22/245310222.db2.gz RYRMAWBQMOEELF-JJXSEGSLSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997546 245311258 /nfs/dbraw/zinc/31/12/58/245311258.db2.gz RYRMAWBQMOEELF-JONQDZQNSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997547 245311387 /nfs/dbraw/zinc/31/13/87/245311387.db2.gz RYRMAWBQMOEELF-QXSJWSMHSA-N 2 1 350.463 -0.482 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367019978 245310272 /nfs/dbraw/zinc/31/02/72/245310272.db2.gz KHTCDSDROAPXQE-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367019979 245311493 /nfs/dbraw/zinc/31/14/93/245311493.db2.gz KHTCDSDROAPXQE-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 ZINC000367031291 245314521 /nfs/dbraw/zinc/31/45/21/245314521.db2.gz URFTWOAMYZRTLJ-HNNXBMFYSA-N 2 1 365.478 -0.103 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367155907 245320149 /nfs/dbraw/zinc/32/01/49/245320149.db2.gz BORHAAWBURVAQA-KRWDZBQOSA-N 2 1 373.505 -0.505 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367155907 245320143 /nfs/dbraw/zinc/32/01/43/245320143.db2.gz BORHAAWBURVAQA-KRWDZBQOSA-N 2 1 373.505 -0.505 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367155910 245319985 /nfs/dbraw/zinc/31/99/85/245319985.db2.gz BORHAAWBURVAQA-QGZVFWFLSA-N 2 1 373.505 -0.505 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367155910 245319982 /nfs/dbraw/zinc/31/99/82/245319982.db2.gz BORHAAWBURVAQA-QGZVFWFLSA-N 2 1 373.505 -0.505 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367159995 245321483 /nfs/dbraw/zinc/32/14/83/245321483.db2.gz PNJGJBUKMFBJCW-INIZCTEOSA-N 2 1 351.495 -0.517 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367159995 245321475 /nfs/dbraw/zinc/32/14/75/245321475.db2.gz PNJGJBUKMFBJCW-INIZCTEOSA-N 2 1 351.495 -0.517 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367159996 245320421 /nfs/dbraw/zinc/32/04/21/245320421.db2.gz PNJGJBUKMFBJCW-MRXNPFEDSA-N 2 1 351.495 -0.517 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367159996 245320414 /nfs/dbraw/zinc/32/04/14/245320414.db2.gz PNJGJBUKMFBJCW-MRXNPFEDSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367201920 535892165 /nfs/dbraw/zinc/89/21/65/535892165.db2.gz SGCWPXMSWPVBJG-GOSISDBHSA-N 2 1 373.501 -0.016 20 0 FBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367201921 535890857 /nfs/dbraw/zinc/89/08/57/535890857.db2.gz SGCWPXMSWPVBJG-SFHVURJKSA-N 2 1 373.501 -0.016 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218664 536402160 /nfs/dbraw/zinc/40/21/60/536402160.db2.gz ISHCGSMIIJRYJU-HNNXBMFYSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218664 536402159 /nfs/dbraw/zinc/40/21/59/536402159.db2.gz ISHCGSMIIJRYJU-HNNXBMFYSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218665 536402579 /nfs/dbraw/zinc/40/25/79/536402579.db2.gz ISHCGSMIIJRYJU-OAHLLOKOSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218665 536402577 /nfs/dbraw/zinc/40/25/77/536402577.db2.gz ISHCGSMIIJRYJU-OAHLLOKOSA-N 2 1 358.508 -0.350 20 0 FBADMP CC(C)NC(=O)CN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367267445 245327853 /nfs/dbraw/zinc/32/78/53/245327853.db2.gz PSUDTJNMLSZNPH-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC(C)NC(=O)CN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367267445 245327844 /nfs/dbraw/zinc/32/78/44/245327844.db2.gz PSUDTJNMLSZNPH-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000367292623 536401300 /nfs/dbraw/zinc/40/13/00/536401300.db2.gz TYYRVFBXWCGFIR-KRWDZBQOSA-N 2 1 351.451 -0.539 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000367292624 536401419 /nfs/dbraw/zinc/40/14/19/536401419.db2.gz TYYRVFBXWCGFIR-QGZVFWFLSA-N 2 1 351.451 -0.539 20 0 FBADMP COC(=O)c1cn([C@@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000367305548 245327032 /nfs/dbraw/zinc/32/70/32/245327032.db2.gz ORIOKHMMMPFMSN-CYBMUJFWSA-N 2 1 350.423 -0.524 20 0 FBADMP COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000367305548 245327026 /nfs/dbraw/zinc/32/70/26/245327026.db2.gz ORIOKHMMMPFMSN-CYBMUJFWSA-N 2 1 350.423 -0.524 20 0 FBADMP COC(=O)c1cn([C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000367305549 245329059 /nfs/dbraw/zinc/32/90/59/245329059.db2.gz ORIOKHMMMPFMSN-ZDUSSCGKSA-N 2 1 350.423 -0.524 20 0 FBADMP COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000367305549 245329050 /nfs/dbraw/zinc/32/90/50/245329050.db2.gz ORIOKHMMMPFMSN-ZDUSSCGKSA-N 2 1 350.423 -0.524 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000367371430 245330283 /nfs/dbraw/zinc/33/02/83/245330283.db2.gz QADPGORATAIHIP-ILXRZTDVSA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000367371430 245330278 /nfs/dbraw/zinc/33/02/78/245330278.db2.gz QADPGORATAIHIP-ILXRZTDVSA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000367371431 245331097 /nfs/dbraw/zinc/33/10/97/245331097.db2.gz QADPGORATAIHIP-KFWWJZLASA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000367371431 245331089 /nfs/dbraw/zinc/33/10/89/245331089.db2.gz QADPGORATAIHIP-KFWWJZLASA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000367371432 245332035 /nfs/dbraw/zinc/33/20/35/245332035.db2.gz QADPGORATAIHIP-KKUMJFAQSA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000367371432 245332029 /nfs/dbraw/zinc/33/20/29/245332029.db2.gz QADPGORATAIHIP-KKUMJFAQSA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000367371433 245332845 /nfs/dbraw/zinc/33/28/45/245332845.db2.gz QADPGORATAIHIP-ZNMIVQPWSA-N 2 1 356.467 -0.870 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000367371433 245332838 /nfs/dbraw/zinc/33/28/38/245332838.db2.gz QADPGORATAIHIP-ZNMIVQPWSA-N 2 1 356.467 -0.870 20 0 FBADMP COCCC[N@H+]1CCCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000367419610 245336338 /nfs/dbraw/zinc/33/63/38/245336338.db2.gz NMOBVGBVUQCJAV-UHFFFAOYSA-N 2 1 367.498 -0.512 20 0 FBADMP COCCC[N@@H+]1CCCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000367419610 245336331 /nfs/dbraw/zinc/33/63/31/245336331.db2.gz NMOBVGBVUQCJAV-UHFFFAOYSA-N 2 1 367.498 -0.512 20 0 FBADMP COCC[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367813110 245350675 /nfs/dbraw/zinc/35/06/75/245350675.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 2 1 369.510 -0.053 20 0 FBADMP COCC[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367813110 245350669 /nfs/dbraw/zinc/35/06/69/245350669.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 2 1 369.510 -0.053 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000367813110 245350666 /nfs/dbraw/zinc/35/06/66/245350666.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 2 1 369.510 -0.053 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000368144647 245364548 /nfs/dbraw/zinc/36/45/48/245364548.db2.gz WEOBNVVOTWTTTQ-HNNXBMFYSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000368144648 245365806 /nfs/dbraw/zinc/36/58/06/245365806.db2.gz WEOBNVVOTWTTTQ-OAHLLOKOSA-N 2 1 353.467 -0.641 20 0 FBADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1(C)C ZINC000368423568 535438311 /nfs/dbraw/zinc/43/83/11/535438311.db2.gz DFKOLWDNNOZNMG-HBUWYVDXSA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1(C)C ZINC000368423569 535534954 /nfs/dbraw/zinc/53/49/54/535534954.db2.gz DFKOLWDNNOZNMG-IYOUNJFTSA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1(C)C ZINC000368423570 535534628 /nfs/dbraw/zinc/53/46/28/535534628.db2.gz DFKOLWDNNOZNMG-LBTNJELSSA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1(C)C ZINC000368423571 535437558 /nfs/dbraw/zinc/43/75/58/535437558.db2.gz DFKOLWDNNOZNMG-PMUMKWKESA-N 2 1 352.479 -0.058 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)C1 ZINC000368450527 245378049 /nfs/dbraw/zinc/37/80/49/245378049.db2.gz RGUFPSPONWAPIQ-KRWDZBQOSA-N 2 1 374.551 -0.250 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)C1 ZINC000368450527 245378042 /nfs/dbraw/zinc/37/80/42/245378042.db2.gz RGUFPSPONWAPIQ-KRWDZBQOSA-N 2 1 374.551 -0.250 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)C1 ZINC000368450530 245377108 /nfs/dbraw/zinc/37/71/08/245377108.db2.gz RGUFPSPONWAPIQ-QGZVFWFLSA-N 2 1 374.551 -0.250 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)C1 ZINC000368450530 245377103 /nfs/dbraw/zinc/37/71/03/245377103.db2.gz RGUFPSPONWAPIQ-QGZVFWFLSA-N 2 1 374.551 -0.250 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368502317 245383695 /nfs/dbraw/zinc/38/36/95/245383695.db2.gz MAMFQNBEBIBIDL-UHFFFAOYSA-N 2 1 369.510 -0.313 20 0 FBADMP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368502317 245383689 /nfs/dbraw/zinc/38/36/89/245383689.db2.gz MAMFQNBEBIBIDL-UHFFFAOYSA-N 2 1 369.510 -0.313 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000368549982 245385202 /nfs/dbraw/zinc/38/52/02/245385202.db2.gz VKUATOUVDFHCTO-CVEARBPZSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000368549983 245384826 /nfs/dbraw/zinc/38/48/26/245384826.db2.gz VKUATOUVDFHCTO-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP CNC(=O)C[NH+]1CCC(NN2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000368552616 245384227 /nfs/dbraw/zinc/38/42/27/245384227.db2.gz JTRUVJKXYGBUJT-MRXNPFEDSA-N 2 1 353.511 -0.254 20 0 FBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000368632313 245387278 /nfs/dbraw/zinc/38/72/78/245387278.db2.gz ISMOCIDWGLUDPR-INIZCTEOSA-N 2 1 357.499 -0.994 20 0 FBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000368632313 245387270 /nfs/dbraw/zinc/38/72/70/245387270.db2.gz ISMOCIDWGLUDPR-INIZCTEOSA-N 2 1 357.499 -0.994 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000368632313 245387263 /nfs/dbraw/zinc/38/72/63/245387263.db2.gz ISMOCIDWGLUDPR-INIZCTEOSA-N 2 1 357.499 -0.994 20 0 FBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000368632317 245388194 /nfs/dbraw/zinc/38/81/94/245388194.db2.gz ISMOCIDWGLUDPR-MRXNPFEDSA-N 2 1 357.499 -0.994 20 0 FBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000368632317 245388188 /nfs/dbraw/zinc/38/81/88/245388188.db2.gz ISMOCIDWGLUDPR-MRXNPFEDSA-N 2 1 357.499 -0.994 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000368632317 245388183 /nfs/dbraw/zinc/38/81/83/245388183.db2.gz ISMOCIDWGLUDPR-MRXNPFEDSA-N 2 1 357.499 -0.994 20 0 FBADMP O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639269 245388430 /nfs/dbraw/zinc/38/84/30/245388430.db2.gz TVUQYAAJPXHUQT-CABCVRRESA-N 2 1 371.441 -0.285 20 0 FBADMP O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639270 245387198 /nfs/dbraw/zinc/38/71/98/245387198.db2.gz TVUQYAAJPXHUQT-GJZGRUSLSA-N 2 1 371.441 -0.285 20 0 FBADMP O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639271 245386197 /nfs/dbraw/zinc/38/61/97/245386197.db2.gz TVUQYAAJPXHUQT-HUUCEWRRSA-N 2 1 371.441 -0.285 20 0 FBADMP O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639272 245386482 /nfs/dbraw/zinc/38/64/82/245386482.db2.gz TVUQYAAJPXHUQT-LSDHHAIUSA-N 2 1 371.441 -0.285 20 0 FBADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000368711458 245390613 /nfs/dbraw/zinc/39/06/13/245390613.db2.gz FEFKLUYDNUTCPC-CABCVRRESA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000368711459 245389911 /nfs/dbraw/zinc/38/99/11/245389911.db2.gz FEFKLUYDNUTCPC-GJZGRUSLSA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000368711460 245389554 /nfs/dbraw/zinc/38/95/54/245389554.db2.gz FEFKLUYDNUTCPC-HUUCEWRRSA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000368711461 245392039 /nfs/dbraw/zinc/39/20/39/245392039.db2.gz FEFKLUYDNUTCPC-LSDHHAIUSA-N 2 1 360.462 -0.156 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000368787135 245396127 /nfs/dbraw/zinc/39/61/27/245396127.db2.gz UCRGZIPXUJXMHN-AWEZNQCLSA-N 2 1 371.445 -0.531 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000368787140 245393984 /nfs/dbraw/zinc/39/39/84/245393984.db2.gz UCRGZIPXUJXMHN-CQSZACIVSA-N 2 1 371.445 -0.531 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368906284 483923277 /nfs/dbraw/zinc/92/32/77/483923277.db2.gz ZSGSRENEFXPNMC-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368906284 483923273 /nfs/dbraw/zinc/92/32/73/483923273.db2.gz ZSGSRENEFXPNMC-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369048142 483932815 /nfs/dbraw/zinc/93/28/15/483932815.db2.gz SVOUFXBWMSHIRU-CABCVRRESA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369048142 483932809 /nfs/dbraw/zinc/93/28/09/483932809.db2.gz SVOUFXBWMSHIRU-CABCVRRESA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369048143 483931828 /nfs/dbraw/zinc/93/18/28/483931828.db2.gz SVOUFXBWMSHIRU-GJZGRUSLSA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369048143 483931820 /nfs/dbraw/zinc/93/18/20/483931820.db2.gz SVOUFXBWMSHIRU-GJZGRUSLSA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369048144 483931926 /nfs/dbraw/zinc/93/19/26/483931926.db2.gz SVOUFXBWMSHIRU-HUUCEWRRSA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369048144 483931919 /nfs/dbraw/zinc/93/19/19/483931919.db2.gz SVOUFXBWMSHIRU-HUUCEWRRSA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369048145 483932993 /nfs/dbraw/zinc/93/29/93/483932993.db2.gz SVOUFXBWMSHIRU-LSDHHAIUSA-N 2 1 353.467 -0.687 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369048145 483932984 /nfs/dbraw/zinc/93/29/84/483932984.db2.gz SVOUFXBWMSHIRU-LSDHHAIUSA-N 2 1 353.467 -0.687 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369142391 483935677 /nfs/dbraw/zinc/93/56/77/483935677.db2.gz ARGBDEKHEVAWJU-CVEARBPZSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369142391 483935675 /nfs/dbraw/zinc/93/56/75/483935675.db2.gz ARGBDEKHEVAWJU-CVEARBPZSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369142396 483936362 /nfs/dbraw/zinc/93/63/62/483936362.db2.gz ARGBDEKHEVAWJU-HOTGVXAUSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369142396 483936359 /nfs/dbraw/zinc/93/63/59/483936359.db2.gz ARGBDEKHEVAWJU-HOTGVXAUSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369142397 483935877 /nfs/dbraw/zinc/93/58/77/483935877.db2.gz ARGBDEKHEVAWJU-HZPDHXFCSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369142397 483935873 /nfs/dbraw/zinc/93/58/73/483935873.db2.gz ARGBDEKHEVAWJU-HZPDHXFCSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369142398 483935854 /nfs/dbraw/zinc/93/58/54/483935854.db2.gz ARGBDEKHEVAWJU-JKSUJKDBSA-N 2 1 367.494 -0.299 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369142398 483935851 /nfs/dbraw/zinc/93/58/51/483935851.db2.gz ARGBDEKHEVAWJU-JKSUJKDBSA-N 2 1 367.494 -0.299 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000369191039 483938098 /nfs/dbraw/zinc/93/80/98/483938098.db2.gz FZKYGYMUQGEYFC-UHFFFAOYSA-N 2 1 353.467 -0.162 20 0 FBADMP Cc1cc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)no1 ZINC000369271436 484286616 /nfs/dbraw/zinc/28/66/16/484286616.db2.gz QVHNKOJSTTZWEJ-UHFFFAOYSA-N 2 1 352.435 0.471 20 0 FBADMP CC1(C)NC(=O)N(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000369271954 483946011 /nfs/dbraw/zinc/94/60/11/483946011.db2.gz VEZRHHBNMOVGHD-UHFFFAOYSA-N 2 1 354.451 -0.524 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369393143 483954749 /nfs/dbraw/zinc/95/47/49/483954749.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 2 1 357.499 -0.730 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369393143 483954743 /nfs/dbraw/zinc/95/47/43/483954743.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 2 1 357.499 -0.730 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369393143 483954731 /nfs/dbraw/zinc/95/47/31/483954731.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 2 1 357.499 -0.730 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369393146 483955814 /nfs/dbraw/zinc/95/58/14/483955814.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 2 1 357.499 -0.730 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369393146 483955807 /nfs/dbraw/zinc/95/58/07/483955807.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 2 1 357.499 -0.730 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369393146 483955799 /nfs/dbraw/zinc/95/57/99/483955799.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 2 1 357.499 -0.730 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](CCCOC)CC2)CC1 ZINC000369656953 483974676 /nfs/dbraw/zinc/97/46/76/483974676.db2.gz MGFQLFXLHCWQJL-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCOC)CC2)CC1 ZINC000369656953 483974667 /nfs/dbraw/zinc/97/46/67/483974667.db2.gz MGFQLFXLHCWQJL-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP COCCC[N@H+]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369665747 483973919 /nfs/dbraw/zinc/97/39/19/483973919.db2.gz SLXLKCRTPZJONV-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP COCCC[N@@H+]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369665747 483973911 /nfs/dbraw/zinc/97/39/11/483973911.db2.gz SLXLKCRTPZJONV-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCc3nccn3C)CC2)C1 ZINC000369861913 483984197 /nfs/dbraw/zinc/98/41/97/483984197.db2.gz MHYFKCPUBHOYLJ-HNNXBMFYSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCc3nccn3C)CC2)C1 ZINC000369861914 483985962 /nfs/dbraw/zinc/98/59/62/483985962.db2.gz MHYFKCPUBHOYLJ-OAHLLOKOSA-N 2 1 350.467 -0.032 20 0 FBADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000369928144 483990574 /nfs/dbraw/zinc/99/05/74/483990574.db2.gz SPDFUYLHTMGQOB-INIZCTEOSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000369928144 483990564 /nfs/dbraw/zinc/99/05/64/483990564.db2.gz SPDFUYLHTMGQOB-INIZCTEOSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000369928144 483990562 /nfs/dbraw/zinc/99/05/62/483990562.db2.gz SPDFUYLHTMGQOB-INIZCTEOSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000369928144 483990555 /nfs/dbraw/zinc/99/05/55/483990555.db2.gz SPDFUYLHTMGQOB-INIZCTEOSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000369928145 483990660 /nfs/dbraw/zinc/99/06/60/483990660.db2.gz SPDFUYLHTMGQOB-MRXNPFEDSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000369928145 483990652 /nfs/dbraw/zinc/99/06/52/483990652.db2.gz SPDFUYLHTMGQOB-MRXNPFEDSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000369928145 483990648 /nfs/dbraw/zinc/99/06/48/483990648.db2.gz SPDFUYLHTMGQOB-MRXNPFEDSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000369928145 483990638 /nfs/dbraw/zinc/99/06/38/483990638.db2.gz SPDFUYLHTMGQOB-MRXNPFEDSA-N 2 1 364.494 -0.183 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000369972959 483992215 /nfs/dbraw/zinc/99/22/15/483992215.db2.gz JHZKKGGWVGSVJL-INIZCTEOSA-N 2 1 360.524 -0.192 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000369972960 483993183 /nfs/dbraw/zinc/99/31/83/483993183.db2.gz JHZKKGGWVGSVJL-MRXNPFEDSA-N 2 1 360.524 -0.192 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000369986533 483992792 /nfs/dbraw/zinc/99/27/92/483992792.db2.gz PSMSVDNJYYBIJT-UHFFFAOYSA-N 2 1 355.483 -0.487 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000370058085 483999802 /nfs/dbraw/zinc/99/98/02/483999802.db2.gz SHJMKAZEQQGYNW-UHFFFAOYSA-N 2 1 367.494 -0.343 20 0 FBADMP Cn1cnn(CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1=O ZINC000370338482 484017086 /nfs/dbraw/zinc/01/70/86/484017086.db2.gz BMGBHUHMWOYVLY-UHFFFAOYSA-N 2 1 364.494 -0.106 20 0 FBADMP Cn1nnnc1N1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000370512378 484031127 /nfs/dbraw/zinc/03/11/27/484031127.db2.gz DHNXWYYNZJRJBB-UHFFFAOYSA-N 2 1 372.481 -0.490 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000370664538 484040520 /nfs/dbraw/zinc/04/05/20/484040520.db2.gz IADXVWKTJDDJPP-UYTSQGDYSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000370664538 484040516 /nfs/dbraw/zinc/04/05/16/484040516.db2.gz IADXVWKTJDDJPP-UYTSQGDYSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000370664538 484040507 /nfs/dbraw/zinc/04/05/07/484040507.db2.gz IADXVWKTJDDJPP-UYTSQGDYSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000370664538 484040501 /nfs/dbraw/zinc/04/05/01/484040501.db2.gz IADXVWKTJDDJPP-UYTSQGDYSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000370664539 484041260 /nfs/dbraw/zinc/04/12/60/484041260.db2.gz IADXVWKTJDDJPP-WTXIUTQJSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000370664539 484041253 /nfs/dbraw/zinc/04/12/53/484041253.db2.gz IADXVWKTJDDJPP-WTXIUTQJSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000370664539 484041248 /nfs/dbraw/zinc/04/12/48/484041248.db2.gz IADXVWKTJDDJPP-WTXIUTQJSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000370664539 484041239 /nfs/dbraw/zinc/04/12/39/484041239.db2.gz IADXVWKTJDDJPP-WTXIUTQJSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@](O)(CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719936 484045450 /nfs/dbraw/zinc/04/54/50/484045450.db2.gz IARILMMEAMHUAB-AEFFLSMTSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@](O)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719936 484045443 /nfs/dbraw/zinc/04/54/43/484045443.db2.gz IARILMMEAMHUAB-AEFFLSMTSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719937 484044937 /nfs/dbraw/zinc/04/49/37/484044937.db2.gz IARILMMEAMHUAB-FUHWJXTLSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719937 484044926 /nfs/dbraw/zinc/04/49/26/484044926.db2.gz IARILMMEAMHUAB-FUHWJXTLSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@@](O)(CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719938 484045884 /nfs/dbraw/zinc/04/58/84/484045884.db2.gz IARILMMEAMHUAB-SJLPKXTDSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@@](O)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719938 484045877 /nfs/dbraw/zinc/04/58/77/484045877.db2.gz IARILMMEAMHUAB-SJLPKXTDSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719939 484045654 /nfs/dbraw/zinc/04/56/54/484045654.db2.gz IARILMMEAMHUAB-WMZOPIPTSA-N 2 1 355.479 -0.171 20 0 FBADMP C[C@](O)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCOCC1 ZINC000370719939 484045650 /nfs/dbraw/zinc/04/56/50/484045650.db2.gz IARILMMEAMHUAB-WMZOPIPTSA-N 2 1 355.479 -0.171 20 0 FBADMP COCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000370729616 484045126 /nfs/dbraw/zinc/04/51/26/484045126.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000370729616 484045120 /nfs/dbraw/zinc/04/51/20/484045120.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370729616 484045116 /nfs/dbraw/zinc/04/51/16/484045116.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000370729622 484044379 /nfs/dbraw/zinc/04/43/79/484044379.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000370729622 484044375 /nfs/dbraw/zinc/04/43/75/484044375.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370729622 484044372 /nfs/dbraw/zinc/04/43/72/484044372.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@@H]3CCOC3)CC2)C1 ZINC000370749375 484047012 /nfs/dbraw/zinc/04/70/12/484047012.db2.gz KWVFGHWANUAALD-MSOLQXFVSA-N 2 1 368.522 -0.134 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@@H]3CCOC3)CC2)C1 ZINC000370749376 484047253 /nfs/dbraw/zinc/04/72/53/484047253.db2.gz KWVFGHWANUAALD-QZTJIDSGSA-N 2 1 368.522 -0.134 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@H]3CCOC3)CC2)C1 ZINC000370749377 484046771 /nfs/dbraw/zinc/04/67/71/484046771.db2.gz KWVFGHWANUAALD-ROUUACIJSA-N 2 1 368.522 -0.134 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@H]3CCOC3)CC2)C1 ZINC000370749378 484047636 /nfs/dbraw/zinc/04/76/36/484047636.db2.gz KWVFGHWANUAALD-ZWKOTPCHSA-N 2 1 368.522 -0.134 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000371018384 484197569 /nfs/dbraw/zinc/19/75/69/484197569.db2.gz LUGIUPGCKQFENI-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000371018385 484198382 /nfs/dbraw/zinc/19/83/82/484198382.db2.gz LUGIUPGCKQFENI-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CN3CC(=O)NC3=O)CC2)CC1 ZINC000371078872 484050799 /nfs/dbraw/zinc/05/07/99/484050799.db2.gz GQXMLDGBANZECR-UHFFFAOYSA-N 2 1 365.478 -0.149 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)ccn2)CC1 ZINC000371241981 484063967 /nfs/dbraw/zinc/06/39/67/484063967.db2.gz LNDCGJRCFCDXQQ-KRWDZBQOSA-N 2 1 358.490 -0.161 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)ccn2)CC1 ZINC000371241982 484063817 /nfs/dbraw/zinc/06/38/17/484063817.db2.gz LNDCGJRCFCDXQQ-QGZVFWFLSA-N 2 1 358.490 -0.161 20 0 FBADMP CCN1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000371359164 484071765 /nfs/dbraw/zinc/07/17/65/484071765.db2.gz HJNYESMHDUDMKG-HOTGVXAUSA-N 2 1 370.494 -0.655 20 0 FBADMP CCN1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000371359164 484071758 /nfs/dbraw/zinc/07/17/58/484071758.db2.gz HJNYESMHDUDMKG-HOTGVXAUSA-N 2 1 370.494 -0.655 20 0 FBADMP CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000371359165 484071454 /nfs/dbraw/zinc/07/14/54/484071454.db2.gz HJNYESMHDUDMKG-HZPDHXFCSA-N 2 1 370.494 -0.655 20 0 FBADMP CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000371359165 484071445 /nfs/dbraw/zinc/07/14/45/484071445.db2.gz HJNYESMHDUDMKG-HZPDHXFCSA-N 2 1 370.494 -0.655 20 0 FBADMP CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000371551205 484302221 /nfs/dbraw/zinc/30/22/21/484302221.db2.gz FGHNPLOYDIUEKZ-UHFFFAOYSA-N 2 1 350.467 0.328 20 0 FBADMP CNC(=O)[C@@H]1C[NH+](CCCCCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628298 484094304 /nfs/dbraw/zinc/09/43/04/484094304.db2.gz MFKIKIRDSLPWMY-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP CNC(=O)[C@H]1C[NH+](CCCCCC[N@H+]2CCO[C@@H](C(=O)NC)C2)CCO1 ZINC000371628299 484093849 /nfs/dbraw/zinc/09/38/49/484093849.db2.gz MFKIKIRDSLPWMY-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP CNC(=O)[C@H]1C[NH+](CCCCCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628300 484094119 /nfs/dbraw/zinc/09/41/19/484094119.db2.gz MFKIKIRDSLPWMY-IYBDPMFKSA-N 2 1 370.494 -0.560 20 0 FBADMP CNC(=O)[C@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628300 484094116 /nfs/dbraw/zinc/09/41/16/484094116.db2.gz MFKIKIRDSLPWMY-IYBDPMFKSA-N 2 1 370.494 -0.560 20 0 FBADMP CNC(=O)[C@H]1C[N@@H+](CCCCCC[NH+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628300 484094106 /nfs/dbraw/zinc/09/41/06/484094106.db2.gz MFKIKIRDSLPWMY-IYBDPMFKSA-N 2 1 370.494 -0.560 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000371653540 484097807 /nfs/dbraw/zinc/09/78/07/484097807.db2.gz KEPYKSNNVLAUJI-INIZCTEOSA-N 2 1 351.495 -0.118 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000371653540 484097800 /nfs/dbraw/zinc/09/78/00/484097800.db2.gz KEPYKSNNVLAUJI-INIZCTEOSA-N 2 1 351.495 -0.118 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000371653541 484097946 /nfs/dbraw/zinc/09/79/46/484097946.db2.gz KEPYKSNNVLAUJI-MRXNPFEDSA-N 2 1 351.495 -0.118 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000371653541 484097941 /nfs/dbraw/zinc/09/79/41/484097941.db2.gz KEPYKSNNVLAUJI-MRXNPFEDSA-N 2 1 351.495 -0.118 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371654202 484096667 /nfs/dbraw/zinc/09/66/67/484096667.db2.gz PRFLQAOZXCUTAA-KRWDZBQOSA-N 2 1 371.526 -0.388 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371654203 484097190 /nfs/dbraw/zinc/09/71/90/484097190.db2.gz PRFLQAOZXCUTAA-QGZVFWFLSA-N 2 1 371.526 -0.388 20 0 FBADMP O=C1OC[C@@H]2CN(CCOCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987082 484114925 /nfs/dbraw/zinc/11/49/25/484114925.db2.gz LXWCXRKGOSSIEN-KBPBESRZSA-N 2 1 354.407 -0.724 20 0 FBADMP O=C1OC[C@H]2CN(CCOCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987083 484114996 /nfs/dbraw/zinc/11/49/96/484114996.db2.gz LXWCXRKGOSSIEN-OKILXGFUSA-N 2 1 354.407 -0.724 20 0 FBADMP O=C1OC[C@H]2C[N@@H+](CCOCCN3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987083 484114993 /nfs/dbraw/zinc/11/49/93/484114993.db2.gz LXWCXRKGOSSIEN-OKILXGFUSA-N 2 1 354.407 -0.724 20 0 FBADMP O=C1OC[C@H]2C[N@H+](CCOCCN3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987083 484114991 /nfs/dbraw/zinc/11/49/91/484114991.db2.gz LXWCXRKGOSSIEN-OKILXGFUSA-N 2 1 354.407 -0.724 20 0 FBADMP O=C1OC[C@H]2CN(CCOCC[N@@H+]3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000371987178 484115405 /nfs/dbraw/zinc/11/54/05/484115405.db2.gz LXWCXRKGOSSIEN-ZIAGYGMSSA-N 2 1 354.407 -0.724 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000372021345 484119365 /nfs/dbraw/zinc/11/93/65/484119365.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000372021345 484119361 /nfs/dbraw/zinc/11/93/61/484119361.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000372021345 484119356 /nfs/dbraw/zinc/11/93/56/484119356.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000372021347 484119312 /nfs/dbraw/zinc/11/93/12/484119312.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000372021347 484119304 /nfs/dbraw/zinc/11/93/04/484119304.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000372021347 484119301 /nfs/dbraw/zinc/11/93/01/484119301.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021351 484119085 /nfs/dbraw/zinc/11/90/85/484119085.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021351 484119078 /nfs/dbraw/zinc/11/90/78/484119078.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000372021351 484119073 /nfs/dbraw/zinc/11/90/73/484119073.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021353 484118576 /nfs/dbraw/zinc/11/85/76/484118576.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021353 484118568 /nfs/dbraw/zinc/11/85/68/484118568.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000372021353 484118566 /nfs/dbraw/zinc/11/85/66/484118566.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021354 484118386 /nfs/dbraw/zinc/11/83/86/484118386.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021354 484118379 /nfs/dbraw/zinc/11/83/79/484118379.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000372021354 484118375 /nfs/dbraw/zinc/11/83/75/484118375.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021357 484118603 /nfs/dbraw/zinc/11/86/03/484118603.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021357 484118600 /nfs/dbraw/zinc/11/86/00/484118600.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 2 1 367.494 -0.345 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000372021357 484118597 /nfs/dbraw/zinc/11/85/97/484118597.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 2 1 367.494 -0.345 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000372059305 484122705 /nfs/dbraw/zinc/12/27/05/484122705.db2.gz BCXAMKLXCSUFPT-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000372059305 484122700 /nfs/dbraw/zinc/12/27/00/484122700.db2.gz BCXAMKLXCSUFPT-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000372059305 484122694 /nfs/dbraw/zinc/12/26/94/484122694.db2.gz BCXAMKLXCSUFPT-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000372059306 484121580 /nfs/dbraw/zinc/12/15/80/484121580.db2.gz BCXAMKLXCSUFPT-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000372059306 484121575 /nfs/dbraw/zinc/12/15/75/484121575.db2.gz BCXAMKLXCSUFPT-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000372059306 484121569 /nfs/dbraw/zinc/12/15/69/484121569.db2.gz BCXAMKLXCSUFPT-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP CN1CCN(C[C@@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCO2)CC1 ZINC000372098217 484124145 /nfs/dbraw/zinc/12/41/45/484124145.db2.gz HRZHAZVOOPMCMP-GOSISDBHSA-N 2 1 358.486 -0.043 20 0 FBADMP CN1CCN(C[C@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCO2)CC1 ZINC000372098218 484124174 /nfs/dbraw/zinc/12/41/74/484124174.db2.gz HRZHAZVOOPMCMP-SFHVURJKSA-N 2 1 358.486 -0.043 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cn2)CC1 ZINC000372311231 484137596 /nfs/dbraw/zinc/13/75/96/484137596.db2.gz IQVHCFKSXXRHOF-KRWDZBQOSA-N 2 1 358.490 -0.161 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cn2)CC1 ZINC000372311233 484137965 /nfs/dbraw/zinc/13/79/65/484137965.db2.gz IQVHCFKSXXRHOF-QGZVFWFLSA-N 2 1 358.490 -0.161 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000372456835 484144722 /nfs/dbraw/zinc/14/47/22/484144722.db2.gz UBKVWCJRDVEZKR-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000372456835 484144718 /nfs/dbraw/zinc/14/47/18/484144718.db2.gz UBKVWCJRDVEZKR-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000372456836 484144109 /nfs/dbraw/zinc/14/41/09/484144109.db2.gz UBKVWCJRDVEZKR-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000372456836 484144104 /nfs/dbraw/zinc/14/41/04/484144104.db2.gz UBKVWCJRDVEZKR-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000372463230 484144264 /nfs/dbraw/zinc/14/42/64/484144264.db2.gz KLZWQKDQBBJRMX-DDUZABMNSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000372463231 484145185 /nfs/dbraw/zinc/14/51/85/484145185.db2.gz KLZWQKDQBBJRMX-DHSIGJKJSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000372463232 484144640 /nfs/dbraw/zinc/14/46/40/484144640.db2.gz KLZWQKDQBBJRMX-JCKWVBRZSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000372463233 484145248 /nfs/dbraw/zinc/14/52/48/484145248.db2.gz KLZWQKDQBBJRMX-QIIPPGSGSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000372500453 484147395 /nfs/dbraw/zinc/14/73/95/484147395.db2.gz FAMIAKUFHUUCGH-UHFFFAOYSA-N 2 1 365.522 -0.219 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000372500453 484147391 /nfs/dbraw/zinc/14/73/91/484147391.db2.gz FAMIAKUFHUUCGH-UHFFFAOYSA-N 2 1 365.522 -0.219 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000372504050 484148097 /nfs/dbraw/zinc/14/80/97/484148097.db2.gz PGDXZYDXACAFRE-UHFFFAOYSA-N 2 1 352.479 -0.279 20 0 FBADMP CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000372641396 484180502 /nfs/dbraw/zinc/18/05/02/484180502.db2.gz RFWYRJPZKSVFLD-UHFFFAOYSA-N 2 1 364.494 0.574 20 0 FBADMP COC(=O)C1=NOC2(C1)CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000372761776 484172289 /nfs/dbraw/zinc/17/22/89/484172289.db2.gz ZVQOMJWPIVHMCA-UHFFFAOYSA-N 2 1 352.435 -0.066 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1=O ZINC000372827283 484175127 /nfs/dbraw/zinc/17/51/27/484175127.db2.gz ZYIXIJSXPROVFQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1=O ZINC000372827283 484175119 /nfs/dbraw/zinc/17/51/19/484175119.db2.gz ZYIXIJSXPROVFQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1=O ZINC000372827284 484175424 /nfs/dbraw/zinc/17/54/24/484175424.db2.gz ZYIXIJSXPROVFQ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1=O ZINC000372827284 484175421 /nfs/dbraw/zinc/17/54/21/484175421.db2.gz ZYIXIJSXPROVFQ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)CC(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000372975504 484185037 /nfs/dbraw/zinc/18/50/37/484185037.db2.gz HUZLRVUTIMKLCF-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C)CC(=O)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000372975510 484184629 /nfs/dbraw/zinc/18/46/29/484184629.db2.gz HUZLRVUTIMKLCF-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000373023422 484187034 /nfs/dbraw/zinc/18/70/34/484187034.db2.gz IHBUUUVAODIHBF-AWEZNQCLSA-N 2 1 362.478 -0.085 20 0 FBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000373023425 484186293 /nfs/dbraw/zinc/18/62/93/484186293.db2.gz IHBUUUVAODIHBF-CQSZACIVSA-N 2 1 362.478 -0.085 20 0 FBADMP CNC(=O)CN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000373034187 484186464 /nfs/dbraw/zinc/18/64/64/484186464.db2.gz FHFVFGXZEIMCBB-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CNC(=O)CN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000373034188 484186006 /nfs/dbraw/zinc/18/60/06/484186006.db2.gz FHFVFGXZEIMCBB-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CN1C[C@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247668 484198455 /nfs/dbraw/zinc/19/84/55/484198455.db2.gz RYNIALHACZCVBJ-HOTGVXAUSA-N 2 1 364.494 -0.130 20 0 FBADMP CN1C[C@@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000373247669 484198575 /nfs/dbraw/zinc/19/85/75/484198575.db2.gz RYNIALHACZCVBJ-HZPDHXFCSA-N 2 1 364.494 -0.130 20 0 FBADMP CN1C[C@@H]2C[N@@H+](CCCC[NH+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247670 484198160 /nfs/dbraw/zinc/19/81/60/484198160.db2.gz RYNIALHACZCVBJ-IYBDPMFKSA-N 2 1 364.494 -0.130 20 0 FBADMP CN1C[C@@H]2C[N@H+](CCCC[NH+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247670 484198153 /nfs/dbraw/zinc/19/81/53/484198153.db2.gz RYNIALHACZCVBJ-IYBDPMFKSA-N 2 1 364.494 -0.130 20 0 FBADMP CN1C[C@@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247670 484198148 /nfs/dbraw/zinc/19/81/48/484198148.db2.gz RYNIALHACZCVBJ-IYBDPMFKSA-N 2 1 364.494 -0.130 20 0 FBADMP C[NH+]1C[C@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000373337548 484201622 /nfs/dbraw/zinc/20/16/22/484201622.db2.gz OAVWXGKIPVOBEM-GEEKYZPCSA-N 2 1 366.531 -0.240 20 0 FBADMP O=C(C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1)N1CCCC1 ZINC000373436921 484204230 /nfs/dbraw/zinc/20/42/30/484204230.db2.gz XTQYQXHXCWRYEL-UHFFFAOYSA-N 2 1 360.462 -0.128 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000373519833 484208821 /nfs/dbraw/zinc/20/88/21/484208821.db2.gz GSYICNQXILFHOH-HNNXBMFYSA-N 2 1 358.508 -0.174 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000373519833 484208815 /nfs/dbraw/zinc/20/88/15/484208815.db2.gz GSYICNQXILFHOH-HNNXBMFYSA-N 2 1 358.508 -0.174 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000373519835 484208869 /nfs/dbraw/zinc/20/88/69/484208869.db2.gz GSYICNQXILFHOH-OAHLLOKOSA-N 2 1 358.508 -0.174 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000373519835 484208864 /nfs/dbraw/zinc/20/88/64/484208864.db2.gz GSYICNQXILFHOH-OAHLLOKOSA-N 2 1 358.508 -0.174 20 0 FBADMP C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+](C)CC3)O2)CC1 ZINC000373520552 484209664 /nfs/dbraw/zinc/20/96/64/484209664.db2.gz HRCZNFCSKDYSNZ-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCC[N@H+](C)CC3)O2)CC1 ZINC000373520553 484209742 /nfs/dbraw/zinc/20/97/42/484209742.db2.gz HRCZNFCSKDYSNZ-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[N@@H+](C)CC3)O2)CC1 ZINC000373520554 484209935 /nfs/dbraw/zinc/20/99/35/484209935.db2.gz HRCZNFCSKDYSNZ-IYBDPMFKSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC(C)(C(=O)N1CCC[NH+](C)CC1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000373584251 484212872 /nfs/dbraw/zinc/21/28/72/484212872.db2.gz SJHHWMYYTGLKCT-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP O=C(NCC[N@@H+]1CCCOCC1)c1cnn(CCN2CCOCC2)c1 ZINC000373696695 484218779 /nfs/dbraw/zinc/21/87/79/484218779.db2.gz WHCHVMBXLZWTHL-UHFFFAOYSA-N 2 1 351.451 -0.333 20 0 FBADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000373841317 484228188 /nfs/dbraw/zinc/22/81/88/484228188.db2.gz KWRRXYASXHMTFC-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000373841317 484228181 /nfs/dbraw/zinc/22/81/81/484228181.db2.gz KWRRXYASXHMTFC-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000373841317 484228175 /nfs/dbraw/zinc/22/81/75/484228175.db2.gz KWRRXYASXHMTFC-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000373841318 484227821 /nfs/dbraw/zinc/22/78/21/484227821.db2.gz KWRRXYASXHMTFC-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000373841318 484227815 /nfs/dbraw/zinc/22/78/15/484227815.db2.gz KWRRXYASXHMTFC-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000373841318 484227808 /nfs/dbraw/zinc/22/78/08/484227808.db2.gz KWRRXYASXHMTFC-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC000374023425 484237505 /nfs/dbraw/zinc/23/75/05/484237505.db2.gz NSHXIOOBHKJKDH-BZUAXINKSA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC000374023425 484237500 /nfs/dbraw/zinc/23/75/00/484237500.db2.gz NSHXIOOBHKJKDH-BZUAXINKSA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)C1 ZINC000374023426 484237735 /nfs/dbraw/zinc/23/77/35/484237735.db2.gz NSHXIOOBHKJKDH-OAGGEKHMSA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)C1 ZINC000374023426 484237726 /nfs/dbraw/zinc/23/77/26/484237726.db2.gz NSHXIOOBHKJKDH-OAGGEKHMSA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]3OCC(=O)N[C@H]3C2)C1 ZINC000374023427 484237662 /nfs/dbraw/zinc/23/76/62/484237662.db2.gz NSHXIOOBHKJKDH-OWCLPIDISA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3OCC(=O)N[C@H]3C2)C1 ZINC000374023427 484237655 /nfs/dbraw/zinc/23/76/55/484237655.db2.gz NSHXIOOBHKJKDH-OWCLPIDISA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000374023428 484237347 /nfs/dbraw/zinc/23/73/47/484237347.db2.gz NSHXIOOBHKJKDH-PMPSAXMXSA-N 2 1 368.478 -0.951 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000374023428 484237341 /nfs/dbraw/zinc/23/73/41/484237341.db2.gz NSHXIOOBHKJKDH-PMPSAXMXSA-N 2 1 368.478 -0.951 20 0 FBADMP O=C(CN1CCCOCC1)N1CCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000374028348 484236750 /nfs/dbraw/zinc/23/67/50/484236750.db2.gz ZHKUUYIKQVYFEU-UHFFFAOYSA-N 2 1 368.478 -0.898 20 0 FBADMP O=C(CN1CCCOCC1)N1CCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000374028348 484236744 /nfs/dbraw/zinc/23/67/44/484236744.db2.gz ZHKUUYIKQVYFEU-UHFFFAOYSA-N 2 1 368.478 -0.898 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000374769901 484276419 /nfs/dbraw/zinc/27/64/19/484276419.db2.gz YDMXVUBJXLRKEX-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP Cn1cc(C(=O)NC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000374883108 484281213 /nfs/dbraw/zinc/28/12/13/484281213.db2.gz WCWAYNFIDZGWRK-UHFFFAOYSA-N 2 1 362.478 -0.222 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907522 484281279 /nfs/dbraw/zinc/28/12/79/484281279.db2.gz CKJOTMAYYOSYKA-HNNXBMFYSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907522 484281273 /nfs/dbraw/zinc/28/12/73/484281273.db2.gz CKJOTMAYYOSYKA-HNNXBMFYSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907526 484280699 /nfs/dbraw/zinc/28/06/99/484280699.db2.gz CKJOTMAYYOSYKA-OAHLLOKOSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907526 484280690 /nfs/dbraw/zinc/28/06/90/484280690.db2.gz CKJOTMAYYOSYKA-OAHLLOKOSA-N 2 1 358.508 -0.350 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000374915421 484282948 /nfs/dbraw/zinc/28/29/48/484282948.db2.gz QJJQTFVMNJMGGY-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000374915421 484282943 /nfs/dbraw/zinc/28/29/43/484282943.db2.gz QJJQTFVMNJMGGY-INIZCTEOSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000374915424 484282300 /nfs/dbraw/zinc/28/23/00/484282300.db2.gz QJJQTFVMNJMGGY-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000374915424 484282293 /nfs/dbraw/zinc/28/22/93/484282293.db2.gz QJJQTFVMNJMGGY-MRXNPFEDSA-N 2 1 352.479 -0.136 20 0 FBADMP CN1CCN(C(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000374918376 484282065 /nfs/dbraw/zinc/28/20/65/484282065.db2.gz TZJITVMKHKHCJM-UHFFFAOYSA-N 2 1 354.495 -0.690 20 0 FBADMP CN1CCN(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C(=O)C1 ZINC000374934333 484282853 /nfs/dbraw/zinc/28/28/53/484282853.db2.gz XGXRCMLOSBVOCH-UHFFFAOYSA-N 2 1 351.495 -0.611 20 0 FBADMP CC1(C)NC(=O)N(CCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000374995155 484284667 /nfs/dbraw/zinc/28/46/67/484284667.db2.gz BZGGXYQFIUWJGQ-UHFFFAOYSA-N 2 1 368.478 -0.134 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]2CCC1CC2 ZINC000375207731 484293173 /nfs/dbraw/zinc/29/31/73/484293173.db2.gz QZQNVIPNCSVOOZ-INIZCTEOSA-N 2 1 351.495 -0.118 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]2CCC1CC2 ZINC000375207733 484293556 /nfs/dbraw/zinc/29/35/56/484293556.db2.gz QZQNVIPNCSVOOZ-MRXNPFEDSA-N 2 1 351.495 -0.118 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC2(O)CCOCC2)C1 ZINC000375253990 484297663 /nfs/dbraw/zinc/29/76/63/484297663.db2.gz WREXHUZUOSFHNA-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC2(O)CCOCC2)C1 ZINC000375253990 484297652 /nfs/dbraw/zinc/29/76/52/484297652.db2.gz WREXHUZUOSFHNA-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2(O)CCOCC2)C1 ZINC000375253990 484297642 /nfs/dbraw/zinc/29/76/42/484297642.db2.gz WREXHUZUOSFHNA-INIZCTEOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC2(O)CCOCC2)C1 ZINC000375253991 484296902 /nfs/dbraw/zinc/29/69/02/484296902.db2.gz WREXHUZUOSFHNA-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC2(O)CCOCC2)C1 ZINC000375253991 484296898 /nfs/dbraw/zinc/29/68/98/484296898.db2.gz WREXHUZUOSFHNA-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2(O)CCOCC2)C1 ZINC000375253991 484296892 /nfs/dbraw/zinc/29/68/92/484296892.db2.gz WREXHUZUOSFHNA-MRXNPFEDSA-N 2 1 357.495 -0.067 20 0 FBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)N1CCOCC1 ZINC000375478300 484307707 /nfs/dbraw/zinc/30/77/07/484307707.db2.gz MKJASVMOLMFAJB-HZPDHXFCSA-N 2 1 352.479 -0.423 20 0 FBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)N1CCOCC1 ZINC000375478300 484307701 /nfs/dbraw/zinc/30/77/01/484307701.db2.gz MKJASVMOLMFAJB-HZPDHXFCSA-N 2 1 352.479 -0.423 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[N@H+]([C@H](C)CO)CC2)C1 ZINC000375481578 484307487 /nfs/dbraw/zinc/30/74/87/484307487.db2.gz GVSWFSDNTUKGJY-MSOLQXFVSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)C1 ZINC000375481578 484307478 /nfs/dbraw/zinc/30/74/78/484307478.db2.gz GVSWFSDNTUKGJY-MSOLQXFVSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000375481578 484307472 /nfs/dbraw/zinc/30/74/72/484307472.db2.gz GVSWFSDNTUKGJY-MSOLQXFVSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@H+]([C@H](C)CO)CC2)C1 ZINC000375481582 484307217 /nfs/dbraw/zinc/30/72/17/484307217.db2.gz GVSWFSDNTUKGJY-QZTJIDSGSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)C1 ZINC000375481582 484307207 /nfs/dbraw/zinc/30/72/07/484307207.db2.gz GVSWFSDNTUKGJY-QZTJIDSGSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000375481582 484307204 /nfs/dbraw/zinc/30/72/04/484307204.db2.gz GVSWFSDNTUKGJY-QZTJIDSGSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[N@H+]([C@@H](C)CO)CC2)C1 ZINC000375481583 484307347 /nfs/dbraw/zinc/30/73/47/484307347.db2.gz GVSWFSDNTUKGJY-ROUUACIJSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)C1 ZINC000375481583 484307339 /nfs/dbraw/zinc/30/73/39/484307339.db2.gz GVSWFSDNTUKGJY-ROUUACIJSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000375481583 484307330 /nfs/dbraw/zinc/30/73/30/484307330.db2.gz GVSWFSDNTUKGJY-ROUUACIJSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@H+]([C@@H](C)CO)CC2)C1 ZINC000375481586 484306931 /nfs/dbraw/zinc/30/69/31/484306931.db2.gz GVSWFSDNTUKGJY-ZWKOTPCHSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)C1 ZINC000375481586 484306927 /nfs/dbraw/zinc/30/69/27/484306927.db2.gz GVSWFSDNTUKGJY-ZWKOTPCHSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000375481586 484306923 /nfs/dbraw/zinc/30/69/23/484306923.db2.gz GVSWFSDNTUKGJY-ZWKOTPCHSA-N 2 1 370.538 -0.152 20 0 FBADMP NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000375673905 484319497 /nfs/dbraw/zinc/31/94/97/484319497.db2.gz RPIQQYHWTYLUJD-IBGZPJMESA-N 2 1 360.458 -0.179 20 0 FBADMP NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000375673905 484319495 /nfs/dbraw/zinc/31/94/95/484319495.db2.gz RPIQQYHWTYLUJD-IBGZPJMESA-N 2 1 360.458 -0.179 20 0 FBADMP NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000375673906 484319661 /nfs/dbraw/zinc/31/96/61/484319661.db2.gz RPIQQYHWTYLUJD-LJQANCHMSA-N 2 1 360.458 -0.179 20 0 FBADMP NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000375673906 484319653 /nfs/dbraw/zinc/31/96/53/484319653.db2.gz RPIQQYHWTYLUJD-LJQANCHMSA-N 2 1 360.458 -0.179 20 0 FBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000375725709 484320795 /nfs/dbraw/zinc/32/07/95/484320795.db2.gz DUZNGQAHCJDSAI-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000375725709 484320790 /nfs/dbraw/zinc/32/07/90/484320790.db2.gz DUZNGQAHCJDSAI-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000375725709 484320788 /nfs/dbraw/zinc/32/07/88/484320788.db2.gz DUZNGQAHCJDSAI-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000375725709 484320780 /nfs/dbraw/zinc/32/07/80/484320780.db2.gz DUZNGQAHCJDSAI-FQEVSTJZSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000375725713 484320602 /nfs/dbraw/zinc/32/06/02/484320602.db2.gz DUZNGQAHCJDSAI-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000375725713 484320598 /nfs/dbraw/zinc/32/05/98/484320598.db2.gz DUZNGQAHCJDSAI-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000375725713 484320591 /nfs/dbraw/zinc/32/05/91/484320591.db2.gz DUZNGQAHCJDSAI-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000375725713 484320587 /nfs/dbraw/zinc/32/05/87/484320587.db2.gz DUZNGQAHCJDSAI-HXUWFJFHSA-N 2 1 374.485 -0.049 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C3(OC)CC[NH2+]CC3)CC2)C1 ZINC000375857355 484329654 /nfs/dbraw/zinc/32/96/54/484329654.db2.gz CBOJVXYCLITPHR-INIZCTEOSA-N 2 1 354.495 -0.380 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3(OC)CC[NH2+]CC3)CC2)C1 ZINC000375857355 484329647 /nfs/dbraw/zinc/32/96/47/484329647.db2.gz CBOJVXYCLITPHR-INIZCTEOSA-N 2 1 354.495 -0.380 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3(OC)CC[NH2+]CC3)CC2)C1 ZINC000375857356 484329255 /nfs/dbraw/zinc/32/92/55/484329255.db2.gz CBOJVXYCLITPHR-MRXNPFEDSA-N 2 1 354.495 -0.380 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3(OC)CC[NH2+]CC3)CC2)C1 ZINC000375857356 484329248 /nfs/dbraw/zinc/32/92/48/484329248.db2.gz CBOJVXYCLITPHR-MRXNPFEDSA-N 2 1 354.495 -0.380 20 0 FBADMP Cn1c2ncn(CCN3CCC4(CCC[N@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000375902033 484332221 /nfs/dbraw/zinc/33/22/21/484332221.db2.gz DZFWKIOOXCKETO-UHFFFAOYSA-N 2 1 360.462 -0.006 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)C1 ZINC000376042119 484338737 /nfs/dbraw/zinc/33/87/37/484338737.db2.gz ILSJDDWUJRUYAQ-KRWDZBQOSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)C1 ZINC000376042119 484338734 /nfs/dbraw/zinc/33/87/34/484338734.db2.gz ILSJDDWUJRUYAQ-KRWDZBQOSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000376042119 484338728 /nfs/dbraw/zinc/33/87/28/484338728.db2.gz ILSJDDWUJRUYAQ-KRWDZBQOSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000376042119 484338723 /nfs/dbraw/zinc/33/87/23/484338723.db2.gz ILSJDDWUJRUYAQ-KRWDZBQOSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)C1 ZINC000376042121 484338462 /nfs/dbraw/zinc/33/84/62/484338462.db2.gz ILSJDDWUJRUYAQ-QGZVFWFLSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)C1 ZINC000376042121 484338458 /nfs/dbraw/zinc/33/84/58/484338458.db2.gz ILSJDDWUJRUYAQ-QGZVFWFLSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000376042121 484338451 /nfs/dbraw/zinc/33/84/51/484338451.db2.gz ILSJDDWUJRUYAQ-QGZVFWFLSA-N 2 1 354.495 -0.426 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000376042121 484338442 /nfs/dbraw/zinc/33/84/42/484338442.db2.gz ILSJDDWUJRUYAQ-QGZVFWFLSA-N 2 1 354.495 -0.426 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376216980 484345613 /nfs/dbraw/zinc/34/56/13/484345613.db2.gz CHZXGVZZVXNNSQ-KKUMJFAQSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376216980 484345608 /nfs/dbraw/zinc/34/56/08/484345608.db2.gz CHZXGVZZVXNNSQ-KKUMJFAQSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376216981 484344854 /nfs/dbraw/zinc/34/48/54/484344854.db2.gz CHZXGVZZVXNNSQ-RRFJBIMHSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376216981 484344847 /nfs/dbraw/zinc/34/48/47/484344847.db2.gz CHZXGVZZVXNNSQ-RRFJBIMHSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376216982 484345134 /nfs/dbraw/zinc/34/51/34/484345134.db2.gz CHZXGVZZVXNNSQ-SOUVJXGZSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376216982 484345127 /nfs/dbraw/zinc/34/51/27/484345127.db2.gz CHZXGVZZVXNNSQ-SOUVJXGZSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376216983 484345231 /nfs/dbraw/zinc/34/52/31/484345231.db2.gz CHZXGVZZVXNNSQ-ZNMIVQPWSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000376216983 484345224 /nfs/dbraw/zinc/34/52/24/484345224.db2.gz CHZXGVZZVXNNSQ-ZNMIVQPWSA-N 2 1 361.494 -0.140 20 0 FBADMP CC(C)Nc1nc(N2CCCN(CC[NH+](C)C)CC2)nc(NCCO)[nH+]1 ZINC000376217805 484345461 /nfs/dbraw/zinc/34/54/61/484345461.db2.gz GOPMOZLGFIOAMG-UHFFFAOYSA-N 2 1 366.514 -0.986 20 0 FBADMP CNC(=O)[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000376283071 484348707 /nfs/dbraw/zinc/34/87/07/484348707.db2.gz CPFJGWIADQYTHY-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP CNC(=O)[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000376283071 484348701 /nfs/dbraw/zinc/34/87/01/484348701.db2.gz CPFJGWIADQYTHY-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP CNC(=O)[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](C(=O)NC)C2)CCO1 ZINC000376283072 484349068 /nfs/dbraw/zinc/34/90/68/484349068.db2.gz CPFJGWIADQYTHY-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP CNC(=O)[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](C(=O)NC)C2)CCO1 ZINC000376283072 484349057 /nfs/dbraw/zinc/34/90/57/484349057.db2.gz CPFJGWIADQYTHY-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP CC(C)Nc1nc(N2CCC[N@@H+](CC(C)(C)O)CC2)nc(NCCO)[nH+]1 ZINC000376488283 484360774 /nfs/dbraw/zinc/36/07/74/484360774.db2.gz ZKQXNRRKEUEYKV-UHFFFAOYSA-N 2 1 367.498 -0.777 20 0 FBADMP CC(C)Nc1nc(N2CCC[N@H+](CC(C)(C)O)CC2)nc(NCCO)[nH+]1 ZINC000376488283 484360769 /nfs/dbraw/zinc/36/07/69/484360769.db2.gz ZKQXNRRKEUEYKV-UHFFFAOYSA-N 2 1 367.498 -0.777 20 0 FBADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000376488421 484360014 /nfs/dbraw/zinc/36/00/14/484360014.db2.gz PKWHTSDXTASPGU-GOSISDBHSA-N 2 1 368.522 -0.038 20 0 FBADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000376488422 484360076 /nfs/dbraw/zinc/36/00/76/484360076.db2.gz PKWHTSDXTASPGU-SFHVURJKSA-N 2 1 368.522 -0.038 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000376722258 484370276 /nfs/dbraw/zinc/37/02/76/484370276.db2.gz MVTXZFPMRSAIJC-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000376722258 484370274 /nfs/dbraw/zinc/37/02/74/484370274.db2.gz MVTXZFPMRSAIJC-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000376722259 484371664 /nfs/dbraw/zinc/37/16/64/484371664.db2.gz MVTXZFPMRSAIJC-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000376722259 484371658 /nfs/dbraw/zinc/37/16/58/484371658.db2.gz MVTXZFPMRSAIJC-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376766131 484372106 /nfs/dbraw/zinc/37/21/06/484372106.db2.gz QTCHGXUPMUGRAT-DLBZAZTESA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376766131 484372100 /nfs/dbraw/zinc/37/21/00/484372100.db2.gz QTCHGXUPMUGRAT-DLBZAZTESA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376766137 484373542 /nfs/dbraw/zinc/37/35/42/484373542.db2.gz QTCHGXUPMUGRAT-IAGOWNOFSA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376766137 484373536 /nfs/dbraw/zinc/37/35/36/484373536.db2.gz QTCHGXUPMUGRAT-IAGOWNOFSA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376766138 484373373 /nfs/dbraw/zinc/37/33/73/484373373.db2.gz QTCHGXUPMUGRAT-IRXDYDNUSA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376766138 484373364 /nfs/dbraw/zinc/37/33/64/484373364.db2.gz QTCHGXUPMUGRAT-IRXDYDNUSA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376766140 484372666 /nfs/dbraw/zinc/37/26/66/484372666.db2.gz QTCHGXUPMUGRAT-SJORKVTESA-N 2 1 369.510 -0.899 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376766140 484372661 /nfs/dbraw/zinc/37/26/61/484372661.db2.gz QTCHGXUPMUGRAT-SJORKVTESA-N 2 1 369.510 -0.899 20 0 FBADMP COCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000376784836 484374543 /nfs/dbraw/zinc/37/45/43/484374543.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000376784836 484374538 /nfs/dbraw/zinc/37/45/38/484374538.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000376784836 484374536 /nfs/dbraw/zinc/37/45/36/484374536.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000376784837 484375016 /nfs/dbraw/zinc/37/50/16/484375016.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000376784837 484375009 /nfs/dbraw/zinc/37/50/09/484375009.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000376784837 484375003 /nfs/dbraw/zinc/37/50/03/484375003.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376856929 484377758 /nfs/dbraw/zinc/37/77/58/484377758.db2.gz QDECIAPNIJQHAT-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376856929 484377753 /nfs/dbraw/zinc/37/77/53/484377753.db2.gz QDECIAPNIJQHAT-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000376856929 484377748 /nfs/dbraw/zinc/37/77/48/484377748.db2.gz QDECIAPNIJQHAT-KRWDZBQOSA-N 2 1 351.495 -0.046 20 0 FBADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376856930 484377268 /nfs/dbraw/zinc/37/72/68/484377268.db2.gz QDECIAPNIJQHAT-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376856930 484377260 /nfs/dbraw/zinc/37/72/60/484377260.db2.gz QDECIAPNIJQHAT-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000376856930 484377254 /nfs/dbraw/zinc/37/72/54/484377254.db2.gz QDECIAPNIJQHAT-QGZVFWFLSA-N 2 1 351.495 -0.046 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000376896533 484379308 /nfs/dbraw/zinc/37/93/08/484379308.db2.gz GUEQCPXLIDBGOY-INIZCTEOSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000376896533 484379303 /nfs/dbraw/zinc/37/93/03/484379303.db2.gz GUEQCPXLIDBGOY-INIZCTEOSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000376896535 484379451 /nfs/dbraw/zinc/37/94/51/484379451.db2.gz GUEQCPXLIDBGOY-MRXNPFEDSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000376896535 484379445 /nfs/dbraw/zinc/37/94/45/484379445.db2.gz GUEQCPXLIDBGOY-MRXNPFEDSA-N 2 1 352.479 -0.279 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCCOC2)CC1 ZINC000376950537 484382699 /nfs/dbraw/zinc/38/26/99/484382699.db2.gz VGOXFQAOSVYFPS-AEFFLSMTSA-N 2 1 370.494 -0.424 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000376950539 484382289 /nfs/dbraw/zinc/38/22/89/484382289.db2.gz VGOXFQAOSVYFPS-FUHWJXTLSA-N 2 1 370.494 -0.424 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000376950540 484382633 /nfs/dbraw/zinc/38/26/33/484382633.db2.gz VGOXFQAOSVYFPS-SJLPKXTDSA-N 2 1 370.494 -0.424 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCCOC2)CC1 ZINC000376950542 484382682 /nfs/dbraw/zinc/38/26/82/484382682.db2.gz VGOXFQAOSVYFPS-WMZOPIPTSA-N 2 1 370.494 -0.424 20 0 FBADMP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CCOCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377217504 484395193 /nfs/dbraw/zinc/39/51/93/484395193.db2.gz ZKUJPBAWZRCYRV-KLHDSHLOSA-N 2 1 350.463 -0.576 20 0 FBADMP CC[NH+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000377231173 484397650 /nfs/dbraw/zinc/39/76/50/484397650.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 2 1 369.510 -0.317 20 0 FBADMP CC[NH+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377231173 484397646 /nfs/dbraw/zinc/39/76/46/484397646.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 2 1 369.510 -0.317 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000377231173 484397641 /nfs/dbraw/zinc/39/76/41/484397641.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 2 1 369.510 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330434 484400003 /nfs/dbraw/zinc/40/00/03/484400003.db2.gz MNKKAIPEHANONM-RBSFLKMASA-N 2 1 351.455 -0.037 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330435 484399711 /nfs/dbraw/zinc/39/97/11/484399711.db2.gz MNKKAIPEHANONM-RRFJBIMHSA-N 2 1 351.455 -0.037 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377563605 484411323 /nfs/dbraw/zinc/41/13/23/484411323.db2.gz LOGCSBLJDBTKGH-CVEARBPZSA-N 2 1 370.494 -0.480 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377563607 484411471 /nfs/dbraw/zinc/41/14/71/484411471.db2.gz LOGCSBLJDBTKGH-HOTGVXAUSA-N 2 1 370.494 -0.480 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377563609 484411493 /nfs/dbraw/zinc/41/14/93/484411493.db2.gz LOGCSBLJDBTKGH-HZPDHXFCSA-N 2 1 370.494 -0.480 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377563610 484411349 /nfs/dbraw/zinc/41/13/49/484411349.db2.gz LOGCSBLJDBTKGH-JKSUJKDBSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566933 484410485 /nfs/dbraw/zinc/41/04/85/484410485.db2.gz WJTADAHFDOEZBR-CABCVRRESA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566933 484410480 /nfs/dbraw/zinc/41/04/80/484410480.db2.gz WJTADAHFDOEZBR-CABCVRRESA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566934 484411131 /nfs/dbraw/zinc/41/11/31/484411131.db2.gz WJTADAHFDOEZBR-GJZGRUSLSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566934 484411124 /nfs/dbraw/zinc/41/11/24/484411124.db2.gz WJTADAHFDOEZBR-GJZGRUSLSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566935 484410827 /nfs/dbraw/zinc/41/08/27/484410827.db2.gz WJTADAHFDOEZBR-HUUCEWRRSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566935 484410823 /nfs/dbraw/zinc/41/08/23/484410823.db2.gz WJTADAHFDOEZBR-HUUCEWRRSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566936 484411406 /nfs/dbraw/zinc/41/14/06/484411406.db2.gz WJTADAHFDOEZBR-LSDHHAIUSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)C1 ZINC000377566936 484411398 /nfs/dbraw/zinc/41/13/98/484411398.db2.gz WJTADAHFDOEZBR-LSDHHAIUSA-N 2 1 356.467 -0.868 20 0 FBADMP CNC(=O)NC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000377602754 484414475 /nfs/dbraw/zinc/41/44/75/484414475.db2.gz QMRBKGAIPCSMCQ-UHFFFAOYSA-N 2 1 353.467 -0.292 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377649268 484416651 /nfs/dbraw/zinc/41/66/51/484416651.db2.gz VQJPTKBRYUVPEH-HNNXBMFYSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377649268 484416644 /nfs/dbraw/zinc/41/66/44/484416644.db2.gz VQJPTKBRYUVPEH-HNNXBMFYSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377649274 484415814 /nfs/dbraw/zinc/41/58/14/484415814.db2.gz VQJPTKBRYUVPEH-OAHLLOKOSA-N 2 1 363.462 -0.306 20 0 FBADMP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377649274 484415810 /nfs/dbraw/zinc/41/58/10/484415810.db2.gz VQJPTKBRYUVPEH-OAHLLOKOSA-N 2 1 363.462 -0.306 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727518 484420827 /nfs/dbraw/zinc/42/08/27/484420827.db2.gz ROVNBUCPOKAWEX-ARFHVFGLSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727518 484420816 /nfs/dbraw/zinc/42/08/16/484420816.db2.gz ROVNBUCPOKAWEX-ARFHVFGLSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727519 484420976 /nfs/dbraw/zinc/42/09/76/484420976.db2.gz ROVNBUCPOKAWEX-BZUAXINKSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727519 484420968 /nfs/dbraw/zinc/42/09/68/484420968.db2.gz ROVNBUCPOKAWEX-BZUAXINKSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727520 484421682 /nfs/dbraw/zinc/42/16/82/484421682.db2.gz ROVNBUCPOKAWEX-OAGGEKHMSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727520 484421673 /nfs/dbraw/zinc/42/16/73/484421673.db2.gz ROVNBUCPOKAWEX-OAGGEKHMSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727521 484421258 /nfs/dbraw/zinc/42/12/58/484421258.db2.gz ROVNBUCPOKAWEX-XHSDSOJGSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727521 484421249 /nfs/dbraw/zinc/42/12/49/484421249.db2.gz ROVNBUCPOKAWEX-XHSDSOJGSA-N 2 1 352.479 -0.473 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C3(C(N)=O)CCCC3)CC2)C1 ZINC000377768182 484423885 /nfs/dbraw/zinc/42/38/85/484423885.db2.gz ICGCLVYWGAIDOX-HNNXBMFYSA-N 2 1 367.494 -0.168 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C3(C(N)=O)CCCC3)CC2)C1 ZINC000377768183 484424012 /nfs/dbraw/zinc/42/40/12/484424012.db2.gz ICGCLVYWGAIDOX-OAHLLOKOSA-N 2 1 367.494 -0.168 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000377967604 484433057 /nfs/dbraw/zinc/43/30/57/484433057.db2.gz YSRDKBFLZNMXJN-DLBZAZTESA-N 2 1 365.522 -0.365 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000377967609 484433213 /nfs/dbraw/zinc/43/32/13/484433213.db2.gz YSRDKBFLZNMXJN-IRXDYDNUSA-N 2 1 365.522 -0.365 20 0 FBADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[NH2+]CC1 ZINC000390944269 483891550 /nfs/dbraw/zinc/89/15/50/483891550.db2.gz MVNAGSHJHJRORN-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[NH2+]CC1 ZINC000390944365 483891310 /nfs/dbraw/zinc/89/13/10/483891310.db2.gz MVNAGSHJHJRORN-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987743 842313672 /nfs/dbraw/zinc/31/36/72/842313672.db2.gz GMRJJXCBXGKVBG-IKGGRYGDSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987743 842313659 /nfs/dbraw/zinc/31/36/59/842313659.db2.gz GMRJJXCBXGKVBG-IKGGRYGDSA-N 2 1 356.511 -0.494 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987743 842313647 /nfs/dbraw/zinc/31/36/47/842313647.db2.gz GMRJJXCBXGKVBG-IKGGRYGDSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987744 842313510 /nfs/dbraw/zinc/31/35/10/842313510.db2.gz GMRJJXCBXGKVBG-IXDOHACOSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987744 842313498 /nfs/dbraw/zinc/31/34/98/842313498.db2.gz GMRJJXCBXGKVBG-IXDOHACOSA-N 2 1 356.511 -0.494 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987744 842313487 /nfs/dbraw/zinc/31/34/87/842313487.db2.gz GMRJJXCBXGKVBG-IXDOHACOSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987745 842313779 /nfs/dbraw/zinc/31/37/79/842313779.db2.gz GMRJJXCBXGKVBG-ULQDDVLXSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987745 842313767 /nfs/dbraw/zinc/31/37/67/842313767.db2.gz GMRJJXCBXGKVBG-ULQDDVLXSA-N 2 1 356.511 -0.494 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987745 842313755 /nfs/dbraw/zinc/31/37/55/842313755.db2.gz GMRJJXCBXGKVBG-ULQDDVLXSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987746 842313994 /nfs/dbraw/zinc/31/39/94/842313994.db2.gz GMRJJXCBXGKVBG-YESZJQIVSA-N 2 1 356.511 -0.494 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987746 842313986 /nfs/dbraw/zinc/31/39/86/842313986.db2.gz GMRJJXCBXGKVBG-YESZJQIVSA-N 2 1 356.511 -0.494 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987746 842313977 /nfs/dbraw/zinc/31/39/77/842313977.db2.gz GMRJJXCBXGKVBG-YESZJQIVSA-N 2 1 356.511 -0.494 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000408029148 484402569 /nfs/dbraw/zinc/40/25/69/484402569.db2.gz RVBSNCGDWYXEOX-KRWDZBQOSA-N 2 1 363.506 -0.611 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000408029148 484402566 /nfs/dbraw/zinc/40/25/66/484402566.db2.gz RVBSNCGDWYXEOX-KRWDZBQOSA-N 2 1 363.506 -0.611 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000408029152 484403074 /nfs/dbraw/zinc/40/30/74/484403074.db2.gz RVBSNCGDWYXEOX-QGZVFWFLSA-N 2 1 363.506 -0.611 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000408029152 484403068 /nfs/dbraw/zinc/40/30/68/484403068.db2.gz RVBSNCGDWYXEOX-QGZVFWFLSA-N 2 1 363.506 -0.611 20 0 FBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408186627 483747391 /nfs/dbraw/zinc/74/73/91/483747391.db2.gz IQKUCIRNASEQDV-INIZCTEOSA-N 2 1 352.479 -0.938 20 0 FBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408186628 483747519 /nfs/dbraw/zinc/74/75/19/483747519.db2.gz IQKUCIRNASEQDV-MRXNPFEDSA-N 2 1 352.479 -0.938 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000410169306 483792205 /nfs/dbraw/zinc/79/22/05/483792205.db2.gz DSFSCQNKIJBSEI-HNNXBMFYSA-N 2 1 372.535 -0.327 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000410169307 483792098 /nfs/dbraw/zinc/79/20/98/483792098.db2.gz DSFSCQNKIJBSEI-OAHLLOKOSA-N 2 1 372.535 -0.327 20 0 FBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410431262 483803583 /nfs/dbraw/zinc/80/35/83/483803583.db2.gz GZYGMPFYHWZAIE-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410431265 483803700 /nfs/dbraw/zinc/80/37/00/483803700.db2.gz GZYGMPFYHWZAIE-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410434183 483804503 /nfs/dbraw/zinc/80/45/03/483804503.db2.gz NOGNNAZTJWNFAG-INIZCTEOSA-N 2 1 352.479 -0.279 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410434186 483804492 /nfs/dbraw/zinc/80/44/92/483804492.db2.gz NOGNNAZTJWNFAG-MRXNPFEDSA-N 2 1 352.479 -0.279 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000410438617 483804838 /nfs/dbraw/zinc/80/48/38/483804838.db2.gz UTHLYANNGBNXJP-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000410438617 483804836 /nfs/dbraw/zinc/80/48/36/483804836.db2.gz UTHLYANNGBNXJP-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000410438620 483804755 /nfs/dbraw/zinc/80/47/55/483804755.db2.gz UTHLYANNGBNXJP-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000410438620 483804753 /nfs/dbraw/zinc/80/47/53/483804753.db2.gz UTHLYANNGBNXJP-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410439699 483804962 /nfs/dbraw/zinc/80/49/62/483804962.db2.gz WEYMFALDWJDUGL-UHFFFAOYSA-N 2 1 352.479 -0.136 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000410463229 483807140 /nfs/dbraw/zinc/80/71/40/483807140.db2.gz AGUORMPZUKTAKB-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000410463230 483806650 /nfs/dbraw/zinc/80/66/50/483806650.db2.gz AGUORMPZUKTAKB-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000410463669 483807146 /nfs/dbraw/zinc/80/71/46/483807146.db2.gz BSCMEZIIHVEVNS-UHFFFAOYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410468447 483808382 /nfs/dbraw/zinc/80/83/82/483808382.db2.gz MFTXZMBPRJCTJS-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410468447 483808379 /nfs/dbraw/zinc/80/83/79/483808379.db2.gz MFTXZMBPRJCTJS-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410468449 483808208 /nfs/dbraw/zinc/80/82/08/483808208.db2.gz MFTXZMBPRJCTJS-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410468449 483808206 /nfs/dbraw/zinc/80/82/06/483808206.db2.gz MFTXZMBPRJCTJS-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000410469744 483808321 /nfs/dbraw/zinc/80/83/21/483808321.db2.gz OCDLBAFSIMYHFR-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000410469744 483808320 /nfs/dbraw/zinc/80/83/20/483808320.db2.gz OCDLBAFSIMYHFR-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000410469745 483808165 /nfs/dbraw/zinc/80/81/65/483808165.db2.gz OCDLBAFSIMYHFR-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000410469745 483808164 /nfs/dbraw/zinc/80/81/64/483808164.db2.gz OCDLBAFSIMYHFR-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000410469746 483807861 /nfs/dbraw/zinc/80/78/61/483807861.db2.gz OCDLBAFSIMYHFR-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000410469746 483807859 /nfs/dbraw/zinc/80/78/59/483807859.db2.gz OCDLBAFSIMYHFR-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000410469748 483808222 /nfs/dbraw/zinc/80/82/22/483808222.db2.gz OCDLBAFSIMYHFR-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000410469748 483808220 /nfs/dbraw/zinc/80/82/20/483808220.db2.gz OCDLBAFSIMYHFR-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410470581 483808148 /nfs/dbraw/zinc/80/81/48/483808148.db2.gz PDHBLQRAOCHRDU-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000410470706 483808460 /nfs/dbraw/zinc/80/84/60/483808460.db2.gz DZDLZAYKJPDBRW-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000410470706 483808458 /nfs/dbraw/zinc/80/84/58/483808458.db2.gz DZDLZAYKJPDBRW-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000410470706 483808455 /nfs/dbraw/zinc/80/84/55/483808455.db2.gz DZDLZAYKJPDBRW-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000410470706 483808452 /nfs/dbraw/zinc/80/84/52/483808452.db2.gz DZDLZAYKJPDBRW-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000410470708 483808276 /nfs/dbraw/zinc/80/82/76/483808276.db2.gz DZDLZAYKJPDBRW-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000410470708 483808275 /nfs/dbraw/zinc/80/82/75/483808275.db2.gz DZDLZAYKJPDBRW-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000410470708 483808273 /nfs/dbraw/zinc/80/82/73/483808273.db2.gz DZDLZAYKJPDBRW-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000410470708 483808271 /nfs/dbraw/zinc/80/82/71/483808271.db2.gz DZDLZAYKJPDBRW-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000410470710 483808119 /nfs/dbraw/zinc/80/81/19/483808119.db2.gz DZDLZAYKJPDBRW-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000410470710 483808117 /nfs/dbraw/zinc/80/81/17/483808117.db2.gz DZDLZAYKJPDBRW-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000410470710 483808114 /nfs/dbraw/zinc/80/81/14/483808114.db2.gz DZDLZAYKJPDBRW-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000410470710 483808111 /nfs/dbraw/zinc/80/81/11/483808111.db2.gz DZDLZAYKJPDBRW-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000410470713 483807917 /nfs/dbraw/zinc/80/79/17/483807917.db2.gz DZDLZAYKJPDBRW-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000410470713 483807915 /nfs/dbraw/zinc/80/79/15/483807915.db2.gz DZDLZAYKJPDBRW-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1C[C@H](C)O ZINC000410470713 483807914 /nfs/dbraw/zinc/80/79/14/483807914.db2.gz DZDLZAYKJPDBRW-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000410470713 483807911 /nfs/dbraw/zinc/80/79/11/483807911.db2.gz DZDLZAYKJPDBRW-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000410470896 483808423 /nfs/dbraw/zinc/80/84/23/483808423.db2.gz PMAHKYMCTPYFJC-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410470896 483808422 /nfs/dbraw/zinc/80/84/22/483808422.db2.gz PMAHKYMCTPYFJC-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000410470910 483807996 /nfs/dbraw/zinc/80/79/96/483807996.db2.gz PMAHKYMCTPYFJC-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410470910 483807994 /nfs/dbraw/zinc/80/79/94/483807994.db2.gz PMAHKYMCTPYFJC-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410471788 483808244 /nfs/dbraw/zinc/80/82/44/483808244.db2.gz GOUVRGDVLMJFFH-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410471788 483808243 /nfs/dbraw/zinc/80/82/43/483808243.db2.gz GOUVRGDVLMJFFH-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410471789 483808350 /nfs/dbraw/zinc/80/83/50/483808350.db2.gz GOUVRGDVLMJFFH-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410471789 483808348 /nfs/dbraw/zinc/80/83/48/483808348.db2.gz GOUVRGDVLMJFFH-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000410474943 483806878 /nfs/dbraw/zinc/80/68/78/483806878.db2.gz YRIREQSYBNJGKM-INIZCTEOSA-N 2 1 366.506 -0.154 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000410474944 483807048 /nfs/dbraw/zinc/80/70/48/483807048.db2.gz YRIREQSYBNJGKM-MRXNPFEDSA-N 2 1 366.506 -0.154 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410475190 483807055 /nfs/dbraw/zinc/80/70/55/483807055.db2.gz ZCHBKMGUFOBUEH-UHFFFAOYSA-N 2 1 354.495 -0.154 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475881 483807089 /nfs/dbraw/zinc/80/70/89/483807089.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475881 483807087 /nfs/dbraw/zinc/80/70/87/483807087.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000410475881 483807085 /nfs/dbraw/zinc/80/70/85/483807085.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475882 483806764 /nfs/dbraw/zinc/80/67/64/483806764.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475882 483806762 /nfs/dbraw/zinc/80/67/62/483806762.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000410475882 483806761 /nfs/dbraw/zinc/80/67/61/483806761.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477394 483807766 /nfs/dbraw/zinc/80/77/66/483807766.db2.gz TZZVRQYYTJUESO-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477394 483807765 /nfs/dbraw/zinc/80/77/65/483807765.db2.gz TZZVRQYYTJUESO-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CC(C)(C)O ZINC000410477394 483807764 /nfs/dbraw/zinc/80/77/64/483807764.db2.gz TZZVRQYYTJUESO-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000410477394 483807763 /nfs/dbraw/zinc/80/77/63/483807763.db2.gz TZZVRQYYTJUESO-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477395 483807417 /nfs/dbraw/zinc/80/74/17/483807417.db2.gz TZZVRQYYTJUESO-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477395 483807414 /nfs/dbraw/zinc/80/74/14/483807414.db2.gz TZZVRQYYTJUESO-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1CC(C)(C)O ZINC000410477395 483807413 /nfs/dbraw/zinc/80/74/13/483807413.db2.gz TZZVRQYYTJUESO-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000410477395 483807409 /nfs/dbraw/zinc/80/74/09/483807409.db2.gz TZZVRQYYTJUESO-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477396 483807313 /nfs/dbraw/zinc/80/73/13/483807313.db2.gz TZZVRQYYTJUESO-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477396 483807311 /nfs/dbraw/zinc/80/73/11/483807311.db2.gz TZZVRQYYTJUESO-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CC(C)(C)O ZINC000410477396 483807308 /nfs/dbraw/zinc/80/73/08/483807308.db2.gz TZZVRQYYTJUESO-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000410477396 483807307 /nfs/dbraw/zinc/80/73/07/483807307.db2.gz TZZVRQYYTJUESO-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477397 483807374 /nfs/dbraw/zinc/80/73/74/483807374.db2.gz TZZVRQYYTJUESO-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000410477397 483807373 /nfs/dbraw/zinc/80/73/73/483807373.db2.gz TZZVRQYYTJUESO-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1CC(C)(C)O ZINC000410477397 483807370 /nfs/dbraw/zinc/80/73/70/483807370.db2.gz TZZVRQYYTJUESO-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000410477397 483807369 /nfs/dbraw/zinc/80/73/69/483807369.db2.gz TZZVRQYYTJUESO-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410477572 483807579 /nfs/dbraw/zinc/80/75/79/483807579.db2.gz UZJDJFUUIDAKKR-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410477572 483807576 /nfs/dbraw/zinc/80/75/76/483807576.db2.gz UZJDJFUUIDAKKR-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410477573 483807325 /nfs/dbraw/zinc/80/73/25/483807325.db2.gz UZJDJFUUIDAKKR-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410477573 483807322 /nfs/dbraw/zinc/80/73/22/483807322.db2.gz UZJDJFUUIDAKKR-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410477574 483807487 /nfs/dbraw/zinc/80/74/87/483807487.db2.gz UZJDJFUUIDAKKR-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410477574 483807484 /nfs/dbraw/zinc/80/74/84/483807484.db2.gz UZJDJFUUIDAKKR-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410477575 483807284 /nfs/dbraw/zinc/80/72/84/483807284.db2.gz UZJDJFUUIDAKKR-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410477575 483807282 /nfs/dbraw/zinc/80/72/82/483807282.db2.gz UZJDJFUUIDAKKR-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410496129 483809682 /nfs/dbraw/zinc/80/96/82/483809682.db2.gz CTDSXKULTISZMQ-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410496129 483809679 /nfs/dbraw/zinc/80/96/79/483809679.db2.gz CTDSXKULTISZMQ-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410496130 483810130 /nfs/dbraw/zinc/81/01/30/483810130.db2.gz CTDSXKULTISZMQ-NVXWUHKLSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410496130 483810129 /nfs/dbraw/zinc/81/01/29/483810129.db2.gz CTDSXKULTISZMQ-NVXWUHKLSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410496131 483810066 /nfs/dbraw/zinc/81/00/66/483810066.db2.gz CTDSXKULTISZMQ-RDJZCZTQSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410496131 483810065 /nfs/dbraw/zinc/81/00/65/483810065.db2.gz CTDSXKULTISZMQ-RDJZCZTQSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410496132 483810051 /nfs/dbraw/zinc/81/00/51/483810051.db2.gz CTDSXKULTISZMQ-WBVHZDCISA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410496132 483810050 /nfs/dbraw/zinc/81/00/50/483810050.db2.gz CTDSXKULTISZMQ-WBVHZDCISA-N 2 1 364.490 -0.138 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410496610 483809808 /nfs/dbraw/zinc/80/98/08/483809808.db2.gz GIDXPULIXYJORV-CVEARBPZSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410496611 483810030 /nfs/dbraw/zinc/81/00/30/483810030.db2.gz GIDXPULIXYJORV-HOTGVXAUSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410496612 483809914 /nfs/dbraw/zinc/80/99/14/483809914.db2.gz GIDXPULIXYJORV-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410496614 483809923 /nfs/dbraw/zinc/80/99/23/483809923.db2.gz GIDXPULIXYJORV-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000410497643 483809655 /nfs/dbraw/zinc/80/96/55/483809655.db2.gz GNTSIYHIKWDAAC-GASCZTMLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC000410497643 483809652 /nfs/dbraw/zinc/80/96/52/483809652.db2.gz GNTSIYHIKWDAAC-GASCZTMLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498404 483810941 /nfs/dbraw/zinc/81/09/41/483810941.db2.gz OHZGKBSLVUYREJ-GDBMZVCRSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498404 483810940 /nfs/dbraw/zinc/81/09/40/483810940.db2.gz OHZGKBSLVUYREJ-GDBMZVCRSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000410498404 483810938 /nfs/dbraw/zinc/81/09/38/483810938.db2.gz OHZGKBSLVUYREJ-GDBMZVCRSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000410498404 483810936 /nfs/dbraw/zinc/81/09/36/483810936.db2.gz OHZGKBSLVUYREJ-GDBMZVCRSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498405 483810973 /nfs/dbraw/zinc/81/09/73/483810973.db2.gz OHZGKBSLVUYREJ-GOEBONIOSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498405 483810972 /nfs/dbraw/zinc/81/09/72/483810972.db2.gz OHZGKBSLVUYREJ-GOEBONIOSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000410498405 483810970 /nfs/dbraw/zinc/81/09/70/483810970.db2.gz OHZGKBSLVUYREJ-GOEBONIOSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000410498405 483810968 /nfs/dbraw/zinc/81/09/68/483810968.db2.gz OHZGKBSLVUYREJ-GOEBONIOSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498407 483810454 /nfs/dbraw/zinc/81/04/54/483810454.db2.gz OHZGKBSLVUYREJ-HOCLYGCPSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498407 483810453 /nfs/dbraw/zinc/81/04/53/483810453.db2.gz OHZGKBSLVUYREJ-HOCLYGCPSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000410498407 483810452 /nfs/dbraw/zinc/81/04/52/483810452.db2.gz OHZGKBSLVUYREJ-HOCLYGCPSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000410498407 483810451 /nfs/dbraw/zinc/81/04/51/483810451.db2.gz OHZGKBSLVUYREJ-HOCLYGCPSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498409 483810473 /nfs/dbraw/zinc/81/04/73/483810473.db2.gz OHZGKBSLVUYREJ-ZBFHGGJFSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000410498409 483810472 /nfs/dbraw/zinc/81/04/72/483810472.db2.gz OHZGKBSLVUYREJ-ZBFHGGJFSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000410498409 483810470 /nfs/dbraw/zinc/81/04/70/483810470.db2.gz OHZGKBSLVUYREJ-ZBFHGGJFSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000410498409 483810469 /nfs/dbraw/zinc/81/04/69/483810469.db2.gz OHZGKBSLVUYREJ-ZBFHGGJFSA-N 2 1 366.506 -0.015 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410499885 483811605 /nfs/dbraw/zinc/81/16/05/483811605.db2.gz UWYWXLBMTYISAP-INIZCTEOSA-N 2 1 370.494 -0.796 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410499886 483811722 /nfs/dbraw/zinc/81/17/22/483811722.db2.gz UWYWXLBMTYISAP-MRXNPFEDSA-N 2 1 370.494 -0.796 20 0 FBADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410503729 483812496 /nfs/dbraw/zinc/81/24/96/483812496.db2.gz OPZXBJYXGLAMLN-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410504127 483812122 /nfs/dbraw/zinc/81/21/22/483812122.db2.gz QHKZGZXMLVDIMM-UHFFFAOYSA-N 2 1 370.494 -0.654 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410505001 483812847 /nfs/dbraw/zinc/81/28/47/483812847.db2.gz STEXDFZQWACJJC-GOSISDBHSA-N 2 1 354.495 -0.033 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410505002 483813062 /nfs/dbraw/zinc/81/30/62/483813062.db2.gz STEXDFZQWACJJC-SFHVURJKSA-N 2 1 354.495 -0.033 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410506547 483812760 /nfs/dbraw/zinc/81/27/60/483812760.db2.gz XXTBHFHYKQOMSI-HNNXBMFYSA-N 2 1 372.510 -0.673 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410506547 483812758 /nfs/dbraw/zinc/81/27/58/483812758.db2.gz XXTBHFHYKQOMSI-HNNXBMFYSA-N 2 1 372.510 -0.673 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410506548 483813101 /nfs/dbraw/zinc/81/31/01/483813101.db2.gz XXTBHFHYKQOMSI-OAHLLOKOSA-N 2 1 372.510 -0.673 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410506548 483813099 /nfs/dbraw/zinc/81/30/99/483813099.db2.gz XXTBHFHYKQOMSI-OAHLLOKOSA-N 2 1 372.510 -0.673 20 0 FBADMP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000410532577 483818248 /nfs/dbraw/zinc/81/82/48/483818248.db2.gz WSVJGFVFXXKLBJ-DLBZAZTESA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000410532578 483818035 /nfs/dbraw/zinc/81/80/35/483818035.db2.gz WSVJGFVFXXKLBJ-IAGOWNOFSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000410532579 483817843 /nfs/dbraw/zinc/81/78/43/483817843.db2.gz WSVJGFVFXXKLBJ-IRXDYDNUSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000410532581 483817988 /nfs/dbraw/zinc/81/79/88/483817988.db2.gz WSVJGFVFXXKLBJ-SJORKVTESA-N 2 1 364.490 -0.136 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)CC[NH+]1C ZINC000410534609 483818977 /nfs/dbraw/zinc/81/89/77/483818977.db2.gz ZOUYUSNFVQYPFN-INIZCTEOSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)CC[NH+]1C ZINC000410534609 483818975 /nfs/dbraw/zinc/81/89/75/483818975.db2.gz ZOUYUSNFVQYPFN-INIZCTEOSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC[N@H+]1C ZINC000410534609 483818973 /nfs/dbraw/zinc/81/89/73/483818973.db2.gz ZOUYUSNFVQYPFN-INIZCTEOSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC[N@@H+]1C ZINC000410534609 483818969 /nfs/dbraw/zinc/81/89/69/483818969.db2.gz ZOUYUSNFVQYPFN-INIZCTEOSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)CC[NH+]1C ZINC000410534610 483818949 /nfs/dbraw/zinc/81/89/49/483818949.db2.gz ZOUYUSNFVQYPFN-MRXNPFEDSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)CC[NH+]1C ZINC000410534610 483818948 /nfs/dbraw/zinc/81/89/48/483818948.db2.gz ZOUYUSNFVQYPFN-MRXNPFEDSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC[N@H+]1C ZINC000410534610 483818946 /nfs/dbraw/zinc/81/89/46/483818946.db2.gz ZOUYUSNFVQYPFN-MRXNPFEDSA-N 2 1 354.495 -0.300 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC[N@@H+]1C ZINC000410534610 483818944 /nfs/dbraw/zinc/81/89/44/483818944.db2.gz ZOUYUSNFVQYPFN-MRXNPFEDSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000410561741 483853723 /nfs/dbraw/zinc/85/37/23/483853723.db2.gz YABZREJYUDTMAZ-IYBDPMFKSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000410561741 483853721 /nfs/dbraw/zinc/85/37/21/483853721.db2.gz YABZREJYUDTMAZ-IYBDPMFKSA-N 2 1 354.495 -0.156 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410570501 483947723 /nfs/dbraw/zinc/94/77/23/483947723.db2.gz IORJNSXPZKUOER-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410570501 483947716 /nfs/dbraw/zinc/94/77/16/483947716.db2.gz IORJNSXPZKUOER-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000410574752 483947298 /nfs/dbraw/zinc/94/72/98/483947298.db2.gz LLVROBDBVWCBCE-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000410574752 483947292 /nfs/dbraw/zinc/94/72/92/483947292.db2.gz LLVROBDBVWCBCE-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H](C)[NH+]1C ZINC000410579596 483951487 /nfs/dbraw/zinc/95/14/87/483951487.db2.gz YIHBYQIJLKDWRW-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H](C)[NH+]1C ZINC000410579596 483951481 /nfs/dbraw/zinc/95/14/81/483951481.db2.gz YIHBYQIJLKDWRW-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H](C)[N@@H+]1C ZINC000410579596 483951476 /nfs/dbraw/zinc/95/14/76/483951476.db2.gz YIHBYQIJLKDWRW-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H](C)[N@H+]1C ZINC000410579596 483951469 /nfs/dbraw/zinc/95/14/69/483951469.db2.gz YIHBYQIJLKDWRW-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410699126 483995508 /nfs/dbraw/zinc/99/55/08/483995508.db2.gz PEJUNSQYONXNGT-HNNXBMFYSA-N 2 1 362.478 -0.148 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410699126 483995501 /nfs/dbraw/zinc/99/55/01/483995501.db2.gz PEJUNSQYONXNGT-HNNXBMFYSA-N 2 1 362.478 -0.148 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410699129 483994987 /nfs/dbraw/zinc/99/49/87/483994987.db2.gz PEJUNSQYONXNGT-OAHLLOKOSA-N 2 1 362.478 -0.148 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410699129 483994979 /nfs/dbraw/zinc/99/49/79/483994979.db2.gz PEJUNSQYONXNGT-OAHLLOKOSA-N 2 1 362.478 -0.148 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000410714499 484001924 /nfs/dbraw/zinc/00/19/24/484001924.db2.gz AYYCIZZFWIXEQM-BBWFWOEESA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000410714499 484001919 /nfs/dbraw/zinc/00/19/19/484001919.db2.gz AYYCIZZFWIXEQM-BBWFWOEESA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000410714500 484001624 /nfs/dbraw/zinc/00/16/24/484001624.db2.gz AYYCIZZFWIXEQM-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000410714500 484001618 /nfs/dbraw/zinc/00/16/18/484001618.db2.gz AYYCIZZFWIXEQM-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410720283 484011659 /nfs/dbraw/zinc/01/16/59/484011659.db2.gz JDHAAYWTXDZVPP-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410720283 484011653 /nfs/dbraw/zinc/01/16/53/484011653.db2.gz JDHAAYWTXDZVPP-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[C@H](C)[N@H+]1CCO ZINC000410728617 484033822 /nfs/dbraw/zinc/03/38/22/484033822.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[C@H](C)[N@@H+]1CCO ZINC000410728617 484033818 /nfs/dbraw/zinc/03/38/18/484033818.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC000410728617 484033816 /nfs/dbraw/zinc/03/38/16/484033816.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)N1CCO ZINC000410728617 484033805 /nfs/dbraw/zinc/03/38/05/484033805.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C[C@H](C)[N@H+]1CCO ZINC000410728618 484032505 /nfs/dbraw/zinc/03/25/05/484032505.db2.gz FIPCAYRLYJLZEV-JONQDZQNSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C[C@H](C)[N@@H+]1CCO ZINC000410728618 484032502 /nfs/dbraw/zinc/03/25/02/484032502.db2.gz FIPCAYRLYJLZEV-JONQDZQNSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC000410728618 484032496 /nfs/dbraw/zinc/03/24/96/484032496.db2.gz FIPCAYRLYJLZEV-JONQDZQNSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC000410728618 484032490 /nfs/dbraw/zinc/03/24/90/484032490.db2.gz FIPCAYRLYJLZEV-JONQDZQNSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410728619 484032441 /nfs/dbraw/zinc/03/24/41/484032441.db2.gz FIPCAYRLYJLZEV-LVQVYYBASA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410728619 484032435 /nfs/dbraw/zinc/03/24/35/484032435.db2.gz FIPCAYRLYJLZEV-LVQVYYBASA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000410728619 484032433 /nfs/dbraw/zinc/03/24/33/484032433.db2.gz FIPCAYRLYJLZEV-LVQVYYBASA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000410728619 484032429 /nfs/dbraw/zinc/03/24/29/484032429.db2.gz FIPCAYRLYJLZEV-LVQVYYBASA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410728620 484031300 /nfs/dbraw/zinc/03/13/00/484031300.db2.gz FIPCAYRLYJLZEV-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410728620 484031290 /nfs/dbraw/zinc/03/12/90/484031290.db2.gz FIPCAYRLYJLZEV-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000410728620 484031283 /nfs/dbraw/zinc/03/12/83/484031283.db2.gz FIPCAYRLYJLZEV-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000410728620 484031277 /nfs/dbraw/zinc/03/12/77/484031277.db2.gz FIPCAYRLYJLZEV-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[N@@H+](C)C1 ZINC000410732382 484050430 /nfs/dbraw/zinc/05/04/30/484050430.db2.gz SCTFWXHYJWIEJQ-HRCADAONSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[N@H+](C)C1 ZINC000410732382 484050425 /nfs/dbraw/zinc/05/04/25/484050425.db2.gz SCTFWXHYJWIEJQ-HRCADAONSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)[NH+](C)C1 ZINC000410732382 484050419 /nfs/dbraw/zinc/05/04/19/484050419.db2.gz SCTFWXHYJWIEJQ-HRCADAONSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)[NH+](C)C1 ZINC000410732382 484050415 /nfs/dbraw/zinc/05/04/15/484050415.db2.gz SCTFWXHYJWIEJQ-HRCADAONSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[N@@H+](C)C1 ZINC000410732383 484050576 /nfs/dbraw/zinc/05/05/76/484050576.db2.gz SCTFWXHYJWIEJQ-JYJNAYRXSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[N@H+](C)C1 ZINC000410732383 484050570 /nfs/dbraw/zinc/05/05/70/484050570.db2.gz SCTFWXHYJWIEJQ-JYJNAYRXSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)[NH+](C)C1 ZINC000410732383 484050567 /nfs/dbraw/zinc/05/05/67/484050567.db2.gz SCTFWXHYJWIEJQ-JYJNAYRXSA-N 2 1 354.495 -0.038 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)[NH+](C)C1 ZINC000410732383 484050563 /nfs/dbraw/zinc/05/05/63/484050563.db2.gz SCTFWXHYJWIEJQ-JYJNAYRXSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410733150 484049976 /nfs/dbraw/zinc/04/99/76/484049976.db2.gz OALIEAHNJNIXLD-YQQAZPJKSA-N 2 1 364.490 -0.139 20 0 FBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410733150 484049968 /nfs/dbraw/zinc/04/99/68/484049968.db2.gz OALIEAHNJNIXLD-YQQAZPJKSA-N 2 1 364.490 -0.139 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410733150 484049960 /nfs/dbraw/zinc/04/99/60/484049960.db2.gz OALIEAHNJNIXLD-YQQAZPJKSA-N 2 1 364.490 -0.139 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000410735376 484049354 /nfs/dbraw/zinc/04/93/54/484049354.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000410735376 484049351 /nfs/dbraw/zinc/04/93/51/484049351.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735376 484049345 /nfs/dbraw/zinc/04/93/45/484049345.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735376 484049338 /nfs/dbraw/zinc/04/93/38/484049338.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000410735378 484049757 /nfs/dbraw/zinc/04/97/57/484049757.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000410735378 484049753 /nfs/dbraw/zinc/04/97/53/484049753.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735378 484049747 /nfs/dbraw/zinc/04/97/47/484049747.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735378 484049740 /nfs/dbraw/zinc/04/97/40/484049740.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000410735380 484048908 /nfs/dbraw/zinc/04/89/08/484048908.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000410735380 484048903 /nfs/dbraw/zinc/04/89/03/484048903.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735380 484048896 /nfs/dbraw/zinc/04/88/96/484048896.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735380 484048890 /nfs/dbraw/zinc/04/88/90/484048890.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000410735381 484049025 /nfs/dbraw/zinc/04/90/25/484049025.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000410735381 484049021 /nfs/dbraw/zinc/04/90/21/484049021.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735381 484049014 /nfs/dbraw/zinc/04/90/14/484049014.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 2 1 354.495 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410735381 484049006 /nfs/dbraw/zinc/04/90/06/484049006.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 2 1 354.495 -0.159 20 0 FBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000410789471 484062506 /nfs/dbraw/zinc/06/25/06/484062506.db2.gz HUPRPYVPKYOQDS-GOEBONIOSA-N 2 1 373.457 -0.099 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000410791701 484064383 /nfs/dbraw/zinc/06/43/83/484064383.db2.gz MIPRRQOLANVQAB-ZACQAIPSSA-N 2 1 364.490 -0.280 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410806857 484066118 /nfs/dbraw/zinc/06/61/18/484066118.db2.gz GFGOIMXMHHFNBG-INIZCTEOSA-N 2 1 354.495 -0.033 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410806860 484066383 /nfs/dbraw/zinc/06/63/83/484066383.db2.gz GFGOIMXMHHFNBG-MRXNPFEDSA-N 2 1 354.495 -0.033 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000410809774 484065278 /nfs/dbraw/zinc/06/52/78/484065278.db2.gz SPLLTPNHUBTSRK-CVEARBPZSA-N 2 1 354.495 -0.298 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000410809775 484065398 /nfs/dbraw/zinc/06/53/98/484065398.db2.gz SPLLTPNHUBTSRK-HOTGVXAUSA-N 2 1 354.495 -0.298 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000410809776 484065727 /nfs/dbraw/zinc/06/57/27/484065727.db2.gz SPLLTPNHUBTSRK-HZPDHXFCSA-N 2 1 354.495 -0.298 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000410809777 484065450 /nfs/dbraw/zinc/06/54/50/484065450.db2.gz SPLLTPNHUBTSRK-JKSUJKDBSA-N 2 1 354.495 -0.298 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410812635 484066725 /nfs/dbraw/zinc/06/67/25/484066725.db2.gz UUNPHEMFWMDHFY-UHFFFAOYSA-N 2 1 369.510 -0.591 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410835000 484075745 /nfs/dbraw/zinc/07/57/45/484075745.db2.gz MFZPPWTYVZGHKU-JKSUJKDBSA-N 2 1 366.506 -0.034 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410835000 484075742 /nfs/dbraw/zinc/07/57/42/484075742.db2.gz MFZPPWTYVZGHKU-JKSUJKDBSA-N 2 1 366.506 -0.034 20 0 FBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410840585 484072383 /nfs/dbraw/zinc/07/23/83/484072383.db2.gz FHPIDPJFUOCBPW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410840585 484072378 /nfs/dbraw/zinc/07/23/78/484072378.db2.gz FHPIDPJFUOCBPW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410840585 484072372 /nfs/dbraw/zinc/07/23/72/484072372.db2.gz FHPIDPJFUOCBPW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410840585 484072365 /nfs/dbraw/zinc/07/23/65/484072365.db2.gz FHPIDPJFUOCBPW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410840587 484073079 /nfs/dbraw/zinc/07/30/79/484073079.db2.gz FHPIDPJFUOCBPW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410840587 484073073 /nfs/dbraw/zinc/07/30/73/484073073.db2.gz FHPIDPJFUOCBPW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410840587 484073068 /nfs/dbraw/zinc/07/30/68/484073068.db2.gz FHPIDPJFUOCBPW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410840587 484073062 /nfs/dbraw/zinc/07/30/62/484073062.db2.gz FHPIDPJFUOCBPW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000410849051 484081511 /nfs/dbraw/zinc/08/15/11/484081511.db2.gz SPJJDSTYXWXMNR-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000410849051 484081505 /nfs/dbraw/zinc/08/15/05/484081505.db2.gz SPJJDSTYXWXMNR-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000410849051 484081500 /nfs/dbraw/zinc/08/15/00/484081500.db2.gz SPJJDSTYXWXMNR-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000410849051 484081493 /nfs/dbraw/zinc/08/14/93/484081493.db2.gz SPJJDSTYXWXMNR-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000410849052 484081296 /nfs/dbraw/zinc/08/12/96/484081296.db2.gz SPJJDSTYXWXMNR-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000410849052 484081293 /nfs/dbraw/zinc/08/12/93/484081293.db2.gz SPJJDSTYXWXMNR-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000410849052 484081288 /nfs/dbraw/zinc/08/12/88/484081288.db2.gz SPJJDSTYXWXMNR-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000410849052 484081283 /nfs/dbraw/zinc/08/12/83/484081283.db2.gz SPJJDSTYXWXMNR-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410869333 484090339 /nfs/dbraw/zinc/09/03/39/484090339.db2.gz MORPNFSQENUJAH-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410869333 484090334 /nfs/dbraw/zinc/09/03/34/484090334.db2.gz MORPNFSQENUJAH-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410869334 484090186 /nfs/dbraw/zinc/09/01/86/484090186.db2.gz MORPNFSQENUJAH-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410869334 484090182 /nfs/dbraw/zinc/09/01/82/484090182.db2.gz MORPNFSQENUJAH-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410887302 484099510 /nfs/dbraw/zinc/09/95/10/484099510.db2.gz QEGNJFCRASOWEJ-INIZCTEOSA-N 2 1 354.495 -0.034 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410887304 484099657 /nfs/dbraw/zinc/09/96/57/484099657.db2.gz QEGNJFCRASOWEJ-MRXNPFEDSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410938067 484117264 /nfs/dbraw/zinc/11/72/64/484117264.db2.gz MZOLQTCQRLINNL-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410938067 484117257 /nfs/dbraw/zinc/11/72/57/484117257.db2.gz MZOLQTCQRLINNL-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410938069 484117333 /nfs/dbraw/zinc/11/73/33/484117333.db2.gz MZOLQTCQRLINNL-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410938069 484117325 /nfs/dbraw/zinc/11/73/25/484117325.db2.gz MZOLQTCQRLINNL-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410938070 484117523 /nfs/dbraw/zinc/11/75/23/484117523.db2.gz MZOLQTCQRLINNL-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410938070 484117515 /nfs/dbraw/zinc/11/75/15/484117515.db2.gz MZOLQTCQRLINNL-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410938072 484118136 /nfs/dbraw/zinc/11/81/36/484118136.db2.gz MZOLQTCQRLINNL-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410938072 484118131 /nfs/dbraw/zinc/11/81/31/484118131.db2.gz MZOLQTCQRLINNL-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410939240 484119255 /nfs/dbraw/zinc/11/92/55/484119255.db2.gz RYBYAUKHSABSMW-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410939240 484119252 /nfs/dbraw/zinc/11/92/52/484119252.db2.gz RYBYAUKHSABSMW-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410939240 484119243 /nfs/dbraw/zinc/11/92/43/484119243.db2.gz RYBYAUKHSABSMW-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410939240 484119237 /nfs/dbraw/zinc/11/92/37/484119237.db2.gz RYBYAUKHSABSMW-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410939241 484119355 /nfs/dbraw/zinc/11/93/55/484119355.db2.gz RYBYAUKHSABSMW-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410939241 484119353 /nfs/dbraw/zinc/11/93/53/484119353.db2.gz RYBYAUKHSABSMW-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410939241 484119348 /nfs/dbraw/zinc/11/93/48/484119348.db2.gz RYBYAUKHSABSMW-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410939241 484119345 /nfs/dbraw/zinc/11/93/45/484119345.db2.gz RYBYAUKHSABSMW-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410939454 484119480 /nfs/dbraw/zinc/11/94/80/484119480.db2.gz ULVOPJUQCCRZOZ-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410939454 484119477 /nfs/dbraw/zinc/11/94/77/484119477.db2.gz ULVOPJUQCCRZOZ-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410939455 484119862 /nfs/dbraw/zinc/11/98/62/484119862.db2.gz ULVOPJUQCCRZOZ-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410939455 484119854 /nfs/dbraw/zinc/11/98/54/484119854.db2.gz ULVOPJUQCCRZOZ-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC(C)N1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939864 484119690 /nfs/dbraw/zinc/11/96/90/484119690.db2.gz XDEQYXXRKXCITF-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)N1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939865 484119806 /nfs/dbraw/zinc/11/98/06/484119806.db2.gz XDEQYXXRKXCITF-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)CC[NH+](C)C ZINC000410992621 484135530 /nfs/dbraw/zinc/13/55/30/484135530.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)CC[NH+](C)C ZINC000410992621 484135527 /nfs/dbraw/zinc/13/55/27/484135527.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410992621 484135522 /nfs/dbraw/zinc/13/55/22/484135522.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410992621 484135518 /nfs/dbraw/zinc/13/55/18/484135518.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000410992621 484135514 /nfs/dbraw/zinc/13/55/14/484135514.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)CC[NH+](C)C ZINC000410992622 484135918 /nfs/dbraw/zinc/13/59/18/484135918.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)CC[NH+](C)C ZINC000410992622 484135915 /nfs/dbraw/zinc/13/59/15/484135915.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410992622 484135912 /nfs/dbraw/zinc/13/59/12/484135912.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410992622 484135908 /nfs/dbraw/zinc/13/59/08/484135908.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410992622 484135900 /nfs/dbraw/zinc/13/59/00/484135900.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)CC[NH+](C)C ZINC000410992624 484134988 /nfs/dbraw/zinc/13/49/88/484134988.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)CC[NH+](C)C ZINC000410992624 484134983 /nfs/dbraw/zinc/13/49/83/484134983.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410992624 484134980 /nfs/dbraw/zinc/13/49/80/484134980.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410992624 484134973 /nfs/dbraw/zinc/13/49/73/484134973.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000410992624 484134967 /nfs/dbraw/zinc/13/49/67/484134967.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)CC[NH+](C)C ZINC000410992627 484135186 /nfs/dbraw/zinc/13/51/86/484135186.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)CC[NH+](C)C ZINC000410992627 484135179 /nfs/dbraw/zinc/13/51/79/484135179.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410992627 484135176 /nfs/dbraw/zinc/13/51/76/484135176.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410992627 484135171 /nfs/dbraw/zinc/13/51/71/484135171.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 1 367.538 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410992627 484135166 /nfs/dbraw/zinc/13/51/66/484135166.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 1 367.538 -0.119 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)[N@@H+]1CCO ZINC000410997849 484137445 /nfs/dbraw/zinc/13/74/45/484137445.db2.gz PEQXPIRZJJLXTK-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)[N@H+]1CCO ZINC000410997849 484137436 /nfs/dbraw/zinc/13/74/36/484137436.db2.gz PEQXPIRZJJLXTK-GASCZTMLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000411015105 484138353 /nfs/dbraw/zinc/13/83/53/484138353.db2.gz FIMZDXQLFFRRAP-GASCZTMLSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000411015105 484138349 /nfs/dbraw/zinc/13/83/49/484138349.db2.gz FIMZDXQLFFRRAP-GASCZTMLSA-N 2 1 354.495 -0.111 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000411019361 484139129 /nfs/dbraw/zinc/13/91/29/484139129.db2.gz MIPRRQOLANVQAB-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000411031208 484143686 /nfs/dbraw/zinc/14/36/86/484143686.db2.gz SGXVNIAMXVJTIM-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000411031208 484143680 /nfs/dbraw/zinc/14/36/80/484143680.db2.gz SGXVNIAMXVJTIM-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000411031210 484143795 /nfs/dbraw/zinc/14/37/95/484143795.db2.gz SGXVNIAMXVJTIM-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000411031210 484143792 /nfs/dbraw/zinc/14/37/92/484143792.db2.gz SGXVNIAMXVJTIM-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H](CC[NH+]1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315372 484189857 /nfs/dbraw/zinc/18/98/57/484189857.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 2 1 370.494 -0.448 20 0 FBADMP C[C@@H](CC[NH+]1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315372 484189852 /nfs/dbraw/zinc/18/98/52/484189852.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 2 1 370.494 -0.448 20 0 FBADMP C[C@H](CC[NH+]1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315372 484189845 /nfs/dbraw/zinc/18/98/45/484189845.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 2 1 370.494 -0.448 20 0 FBADMP CC(CC[NH+]1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315373 484190068 /nfs/dbraw/zinc/19/00/68/484190068.db2.gz HYVLDQJIFOARFE-KLHDSHLOSA-N 2 1 370.494 -0.448 20 0 FBADMP CC(CC[NH+]1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315374 484188872 /nfs/dbraw/zinc/18/88/72/484188872.db2.gz HYVLDQJIFOARFE-WCVJEAGWSA-N 2 1 370.494 -0.448 20 0 FBADMP COC(=O)[C@H]1CN(C)CCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000411915634 484219810 /nfs/dbraw/zinc/21/98/10/484219810.db2.gz ZMUXJKXOCNKBDT-HNNXBMFYSA-N 2 1 370.494 -0.750 20 0 FBADMP COC(=O)[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CC[N@@H+](C)C1 ZINC000411915634 484219805 /nfs/dbraw/zinc/21/98/05/484219805.db2.gz ZMUXJKXOCNKBDT-HNNXBMFYSA-N 2 1 370.494 -0.750 20 0 FBADMP COC(=O)[C@@H]1CN(C)CCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000411915637 484219559 /nfs/dbraw/zinc/21/95/59/484219559.db2.gz ZMUXJKXOCNKBDT-OAHLLOKOSA-N 2 1 370.494 -0.750 20 0 FBADMP COC(=O)[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CC[N@@H+](C)C1 ZINC000411915637 484219554 /nfs/dbraw/zinc/21/95/54/484219554.db2.gz ZMUXJKXOCNKBDT-OAHLLOKOSA-N 2 1 370.494 -0.750 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939000 484222405 /nfs/dbraw/zinc/22/24/05/484222405.db2.gz NDSKRSFQLBBUTP-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939000 484222402 /nfs/dbraw/zinc/22/24/02/484222402.db2.gz NDSKRSFQLBBUTP-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939000 484222396 /nfs/dbraw/zinc/22/23/96/484222396.db2.gz NDSKRSFQLBBUTP-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939001 484222035 /nfs/dbraw/zinc/22/20/35/484222035.db2.gz NDSKRSFQLBBUTP-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939001 484222025 /nfs/dbraw/zinc/22/20/25/484222025.db2.gz NDSKRSFQLBBUTP-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939001 484222016 /nfs/dbraw/zinc/22/20/16/484222016.db2.gz NDSKRSFQLBBUTP-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939002 484221730 /nfs/dbraw/zinc/22/17/30/484221730.db2.gz NDSKRSFQLBBUTP-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939002 484221724 /nfs/dbraw/zinc/22/17/24/484221724.db2.gz NDSKRSFQLBBUTP-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939002 484221715 /nfs/dbraw/zinc/22/17/15/484221715.db2.gz NDSKRSFQLBBUTP-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939003 484221795 /nfs/dbraw/zinc/22/17/95/484221795.db2.gz NDSKRSFQLBBUTP-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939003 484221790 /nfs/dbraw/zinc/22/17/90/484221790.db2.gz NDSKRSFQLBBUTP-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939003 484221780 /nfs/dbraw/zinc/22/17/80/484221780.db2.gz NDSKRSFQLBBUTP-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[C@H](O)CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000412028557 484224812 /nfs/dbraw/zinc/22/48/12/484224812.db2.gz BPMYPTRPUSEZFB-KGLIPLIRSA-N 2 1 373.461 -0.285 20 0 FBADMP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000412028557 484224806 /nfs/dbraw/zinc/22/48/06/484224806.db2.gz BPMYPTRPUSEZFB-KGLIPLIRSA-N 2 1 373.461 -0.285 20 0 FBADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413171666 484283630 /nfs/dbraw/zinc/28/36/30/484283630.db2.gz MYFJIBMWGGHYPY-AWEZNQCLSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413171668 484283404 /nfs/dbraw/zinc/28/34/04/484283404.db2.gz MYFJIBMWGGHYPY-CQSZACIVSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413246338 484285446 /nfs/dbraw/zinc/28/54/46/484285446.db2.gz OYYALBJHJWOJLG-UHFFFAOYSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413256472 484285008 /nfs/dbraw/zinc/28/50/08/484285008.db2.gz AWVLVKUYCJYHQG-CABCVRRESA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413256472 484285003 /nfs/dbraw/zinc/28/50/03/484285003.db2.gz AWVLVKUYCJYHQG-CABCVRRESA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413256472 484285000 /nfs/dbraw/zinc/28/50/00/484285000.db2.gz AWVLVKUYCJYHQG-CABCVRRESA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413256475 484285601 /nfs/dbraw/zinc/28/56/01/484285601.db2.gz AWVLVKUYCJYHQG-GJZGRUSLSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413256475 484285595 /nfs/dbraw/zinc/28/55/95/484285595.db2.gz AWVLVKUYCJYHQG-GJZGRUSLSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413256475 484285591 /nfs/dbraw/zinc/28/55/91/484285591.db2.gz AWVLVKUYCJYHQG-GJZGRUSLSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413256477 484285418 /nfs/dbraw/zinc/28/54/18/484285418.db2.gz AWVLVKUYCJYHQG-HUUCEWRRSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413256477 484285415 /nfs/dbraw/zinc/28/54/15/484285415.db2.gz AWVLVKUYCJYHQG-HUUCEWRRSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413256477 484285409 /nfs/dbraw/zinc/28/54/09/484285409.db2.gz AWVLVKUYCJYHQG-HUUCEWRRSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413256478 484285528 /nfs/dbraw/zinc/28/55/28/484285528.db2.gz AWVLVKUYCJYHQG-LSDHHAIUSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413256478 484285522 /nfs/dbraw/zinc/28/55/22/484285522.db2.gz AWVLVKUYCJYHQG-LSDHHAIUSA-N 2 1 356.467 -0.157 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413256478 484285516 /nfs/dbraw/zinc/28/55/16/484285516.db2.gz AWVLVKUYCJYHQG-LSDHHAIUSA-N 2 1 356.467 -0.157 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000413313556 484286802 /nfs/dbraw/zinc/28/68/02/484286802.db2.gz LKCRIVGYQODFHP-CVEARBPZSA-N 2 1 369.510 -0.384 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000413313559 484287679 /nfs/dbraw/zinc/28/76/79/484287679.db2.gz LKCRIVGYQODFHP-HOTGVXAUSA-N 2 1 369.510 -0.384 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000413313561 484287555 /nfs/dbraw/zinc/28/75/55/484287555.db2.gz LKCRIVGYQODFHP-HZPDHXFCSA-N 2 1 369.510 -0.384 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000413313562 484286908 /nfs/dbraw/zinc/28/69/08/484286908.db2.gz LKCRIVGYQODFHP-JKSUJKDBSA-N 2 1 369.510 -0.384 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000413403347 484288487 /nfs/dbraw/zinc/28/84/87/484288487.db2.gz NSRJIQBDXXJGKP-HNNXBMFYSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000413403348 484290474 /nfs/dbraw/zinc/29/04/74/484290474.db2.gz NSRJIQBDXXJGKP-OAHLLOKOSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)C1 ZINC000413517430 484292445 /nfs/dbraw/zinc/29/24/45/484292445.db2.gz RTPNCQVBMVNBCR-HNNXBMFYSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+](C)C1 ZINC000413517430 484292437 /nfs/dbraw/zinc/29/24/37/484292437.db2.gz RTPNCQVBMVNBCR-HNNXBMFYSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+](C)C1 ZINC000413517430 484292428 /nfs/dbraw/zinc/29/24/28/484292428.db2.gz RTPNCQVBMVNBCR-HNNXBMFYSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)C1 ZINC000413517433 484292297 /nfs/dbraw/zinc/29/22/97/484292297.db2.gz RTPNCQVBMVNBCR-OAHLLOKOSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+](C)C1 ZINC000413517433 484292293 /nfs/dbraw/zinc/29/22/93/484292293.db2.gz RTPNCQVBMVNBCR-OAHLLOKOSA-N 2 1 369.510 -0.241 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+](C)C1 ZINC000413517433 484292288 /nfs/dbraw/zinc/29/22/88/484292288.db2.gz RTPNCQVBMVNBCR-OAHLLOKOSA-N 2 1 369.510 -0.241 20 0 FBADMP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055435 484308067 /nfs/dbraw/zinc/30/80/67/484308067.db2.gz XHWABHQWAWVXSQ-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055436 484308154 /nfs/dbraw/zinc/30/81/54/484308154.db2.gz XHWABHQWAWVXSQ-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+](C)C1 ZINC000414495975 483443029 /nfs/dbraw/zinc/44/30/29/483443029.db2.gz YERWDSXODOULLG-INIZCTEOSA-N 2 1 362.478 -0.235 20 0 FBADMP COC(=O)[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+](C)C1 ZINC000414495975 483443024 /nfs/dbraw/zinc/44/30/24/483443024.db2.gz YERWDSXODOULLG-INIZCTEOSA-N 2 1 362.478 -0.235 20 0 FBADMP COC(=O)[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+](C)C1 ZINC000414495978 483443166 /nfs/dbraw/zinc/44/31/66/483443166.db2.gz YERWDSXODOULLG-MRXNPFEDSA-N 2 1 362.478 -0.235 20 0 FBADMP COC(=O)[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+](C)C1 ZINC000414495978 483443161 /nfs/dbraw/zinc/44/31/61/483443161.db2.gz YERWDSXODOULLG-MRXNPFEDSA-N 2 1 362.478 -0.235 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414908463 483793097 /nfs/dbraw/zinc/79/30/97/483793097.db2.gz FHHGZRLHKIBFNU-UHFFFAOYSA-N 2 1 364.446 -0.122 20 0 FBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414920874 483805485 /nfs/dbraw/zinc/80/54/85/483805485.db2.gz AHWQUZBQZCMKBT-HNNXBMFYSA-N 2 1 364.446 -0.122 20 0 FBADMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414920875 483805611 /nfs/dbraw/zinc/80/56/11/483805611.db2.gz AHWQUZBQZCMKBT-OAHLLOKOSA-N 2 1 364.446 -0.122 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971305 483824093 /nfs/dbraw/zinc/82/40/93/483824093.db2.gz IKKPCDMICJOAKR-INIZCTEOSA-N 2 1 373.457 -0.151 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971641 483823919 /nfs/dbraw/zinc/82/39/19/483823919.db2.gz IKKPCDMICJOAKR-MRXNPFEDSA-N 2 1 373.457 -0.151 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)[N@@H+]1CCO ZINC000415251480 483883319 /nfs/dbraw/zinc/88/33/19/483883319.db2.gz ISNBCTSPPHWYHF-OKILXGFUSA-N 2 1 364.446 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)[N@H+]1CCO ZINC000415251480 483883318 /nfs/dbraw/zinc/88/33/18/483883318.db2.gz ISNBCTSPPHWYHF-OKILXGFUSA-N 2 1 364.446 -0.124 20 0 FBADMP CN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000415746531 483885234 /nfs/dbraw/zinc/88/52/34/483885234.db2.gz UBDNGOJIQCTVHX-UHFFFAOYSA-N 2 1 373.457 -0.628 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948095 483885693 /nfs/dbraw/zinc/88/56/93/483885693.db2.gz BRMPBNAYEJVUAY-UHFFFAOYSA-N 2 1 351.455 -0.024 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)C1 ZINC000415948538 483885648 /nfs/dbraw/zinc/88/56/48/483885648.db2.gz CYWPHQIKGGULJA-KBPBESRZSA-N 2 1 363.466 -0.195 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)C1 ZINC000415948541 483885638 /nfs/dbraw/zinc/88/56/38/483885638.db2.gz CYWPHQIKGGULJA-KGLIPLIRSA-N 2 1 363.466 -0.195 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)C1 ZINC000415948542 483885859 /nfs/dbraw/zinc/88/58/59/483885859.db2.gz CYWPHQIKGGULJA-UONOGXRCSA-N 2 1 363.466 -0.195 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)C1 ZINC000415948543 483885876 /nfs/dbraw/zinc/88/58/76/483885876.db2.gz CYWPHQIKGGULJA-ZIAGYGMSSA-N 2 1 363.466 -0.195 20 0 FBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948591 483885849 /nfs/dbraw/zinc/88/58/49/483885849.db2.gz DENKJOVPUSBTCH-HNNXBMFYSA-N 2 1 363.466 -0.146 20 0 FBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948592 483885524 /nfs/dbraw/zinc/88/55/24/483885524.db2.gz DENKJOVPUSBTCH-OAHLLOKOSA-N 2 1 363.466 -0.146 20 0 FBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950615 483885631 /nfs/dbraw/zinc/88/56/31/483885631.db2.gz HUIWXXNXNGYHEU-HNNXBMFYSA-N 2 1 363.466 -0.146 20 0 FBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950616 483886203 /nfs/dbraw/zinc/88/62/03/483886203.db2.gz HUIWXXNXNGYHEU-OAHLLOKOSA-N 2 1 363.466 -0.146 20 0 FBADMP C[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H](C)[N@@H+]1CCO ZINC000415953895 483886267 /nfs/dbraw/zinc/88/62/67/483886267.db2.gz NEPRWCQWSKPCQO-OKILXGFUSA-N 2 1 363.466 -0.195 20 0 FBADMP C[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H](C)[N@H+]1CCO ZINC000415953895 483886264 /nfs/dbraw/zinc/88/62/64/483886264.db2.gz NEPRWCQWSKPCQO-OKILXGFUSA-N 2 1 363.466 -0.195 20 0 FBADMP CN(CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)CC[NH+](C)C ZINC000415954754 483886131 /nfs/dbraw/zinc/88/61/31/483886131.db2.gz OOXOLUHWFDEPES-UHFFFAOYSA-N 2 1 364.498 -0.109 20 0 FBADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415954754 483886130 /nfs/dbraw/zinc/88/61/30/483886130.db2.gz OOXOLUHWFDEPES-UHFFFAOYSA-N 2 1 364.498 -0.109 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957084 483885728 /nfs/dbraw/zinc/88/57/28/483885728.db2.gz SZNRQOGKPRXMBF-UHFFFAOYSA-N 2 1 351.455 -0.024 20 0 FBADMP C[C@@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C[NH+]1CCOCC1 ZINC000415957711 483885797 /nfs/dbraw/zinc/88/57/97/483885797.db2.gz UVQSQEFCWHZYPP-AWEZNQCLSA-N 2 1 363.466 -0.024 20 0 FBADMP C[C@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C[NH+]1CCOCC1 ZINC000415957712 483885567 /nfs/dbraw/zinc/88/55/67/483885567.db2.gz UVQSQEFCWHZYPP-CQSZACIVSA-N 2 1 363.466 -0.024 20 0 FBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415958120 483885839 /nfs/dbraw/zinc/88/58/39/483885839.db2.gz WCPKGWSRKQMBHG-HNNXBMFYSA-N 2 1 363.466 -0.193 20 0 FBADMP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415958122 483885764 /nfs/dbraw/zinc/88/57/64/483885764.db2.gz WCPKGWSRKQMBHG-OAHLLOKOSA-N 2 1 363.466 -0.193 20 0 FBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000415959092 483885732 /nfs/dbraw/zinc/88/57/32/483885732.db2.gz YQVXEAMKEBRWGY-AWEZNQCLSA-N 2 1 363.466 -0.146 20 0 FBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000415959093 483885746 /nfs/dbraw/zinc/88/57/46/483885746.db2.gz YQVXEAMKEBRWGY-CQSZACIVSA-N 2 1 363.466 -0.146 20 0 FBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000416305229 483887265 /nfs/dbraw/zinc/88/72/65/483887265.db2.gz WVDLLIIMDGNBPZ-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000416305243 483887035 /nfs/dbraw/zinc/88/70/35/483887035.db2.gz WVDLLIIMDGNBPZ-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000416799014 483891271 /nfs/dbraw/zinc/89/12/71/483891271.db2.gz PASWAKOQCVTGJZ-HNNXBMFYSA-N 2 1 355.483 -0.262 20 0 FBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000416799018 483891341 /nfs/dbraw/zinc/89/13/41/483891341.db2.gz PASWAKOQCVTGJZ-OAHLLOKOSA-N 2 1 355.483 -0.262 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416800244 483891543 /nfs/dbraw/zinc/89/15/43/483891543.db2.gz QQFKCGGNMUHHAK-CYBMUJFWSA-N 2 1 367.416 -0.156 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416800251 483891501 /nfs/dbraw/zinc/89/15/01/483891501.db2.gz QQFKCGGNMUHHAK-ZDUSSCGKSA-N 2 1 367.416 -0.156 20 0 FBADMP CC[NH+](CC)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416819719 483891627 /nfs/dbraw/zinc/89/16/27/483891627.db2.gz ROJBDHFULQUPJQ-UHFFFAOYSA-N 2 1 361.512 -0.653 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C)C1 ZINC000416855491 484276708 /nfs/dbraw/zinc/27/67/08/484276708.db2.gz CBWAEZXBDGCLNS-CYBMUJFWSA-N 2 1 352.439 0.013 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C)C1 ZINC000416855496 484280271 /nfs/dbraw/zinc/28/02/71/484280271.db2.gz CBWAEZXBDGCLNS-ZDUSSCGKSA-N 2 1 352.439 0.013 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863883 483891603 /nfs/dbraw/zinc/89/16/03/483891603.db2.gz HJDBQXROHPYDNP-CVEARBPZSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863884 483891418 /nfs/dbraw/zinc/89/14/18/483891418.db2.gz HJDBQXROHPYDNP-HOTGVXAUSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863885 483891311 /nfs/dbraw/zinc/89/13/11/483891311.db2.gz HJDBQXROHPYDNP-HZPDHXFCSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863886 483891618 /nfs/dbraw/zinc/89/16/18/483891618.db2.gz HJDBQXROHPYDNP-JKSUJKDBSA-N 2 1 369.510 -0.160 20 0 FBADMP O=C(NCCC[NH+]1CCCCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416884963 483891383 /nfs/dbraw/zinc/89/13/83/483891383.db2.gz LBNHGIMBWVNLBE-UHFFFAOYSA-N 2 1 373.523 -0.509 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416935076 483891582 /nfs/dbraw/zinc/89/15/82/483891582.db2.gz ADVJDTKQDLXOLH-OWCLPIDISA-N 2 1 369.510 -0.018 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416935077 483892133 /nfs/dbraw/zinc/89/21/33/483892133.db2.gz ADVJDTKQDLXOLH-XHSDSOJGSA-N 2 1 369.510 -0.018 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416942366 483892012 /nfs/dbraw/zinc/89/20/12/483892012.db2.gz DFPZIZBIGJFJQT-CVEARBPZSA-N 2 1 359.478 -0.008 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416947485 483892155 /nfs/dbraw/zinc/89/21/55/483892155.db2.gz YDCITQILILQFFO-CVEARBPZSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416947489 483891855 /nfs/dbraw/zinc/89/18/55/483891855.db2.gz YDCITQILILQFFO-HOTGVXAUSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416947492 483892067 /nfs/dbraw/zinc/89/20/67/483892067.db2.gz YDCITQILILQFFO-HZPDHXFCSA-N 2 1 369.510 -0.160 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416947496 483891747 /nfs/dbraw/zinc/89/17/47/483891747.db2.gz YDCITQILILQFFO-JKSUJKDBSA-N 2 1 369.510 -0.160 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417005601 483892355 /nfs/dbraw/zinc/89/23/55/483892355.db2.gz JCVZLEHYOMARHD-CYBMUJFWSA-N 2 1 361.512 -0.655 20 0 FBADMP [NH3+]CCN(CCO)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417031300 483892773 /nfs/dbraw/zinc/89/27/73/483892773.db2.gz BHSIFCNBYUBLHF-UHFFFAOYSA-N 2 1 353.442 -0.090 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082077 483892756 /nfs/dbraw/zinc/89/27/56/483892756.db2.gz QVUDLTFZOKBLKA-KBPBESRZSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082077 483892753 /nfs/dbraw/zinc/89/27/53/483892753.db2.gz QVUDLTFZOKBLKA-KBPBESRZSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082078 483892618 /nfs/dbraw/zinc/89/26/18/483892618.db2.gz QVUDLTFZOKBLKA-KGLIPLIRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082078 483892616 /nfs/dbraw/zinc/89/26/16/483892616.db2.gz QVUDLTFZOKBLKA-KGLIPLIRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082079 483892431 /nfs/dbraw/zinc/89/24/31/483892431.db2.gz QVUDLTFZOKBLKA-UONOGXRCSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082079 483892428 /nfs/dbraw/zinc/89/24/28/483892428.db2.gz QVUDLTFZOKBLKA-UONOGXRCSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082080 483892348 /nfs/dbraw/zinc/89/23/48/483892348.db2.gz QVUDLTFZOKBLKA-ZIAGYGMSSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417082080 483892347 /nfs/dbraw/zinc/89/23/47/483892347.db2.gz QVUDLTFZOKBLKA-ZIAGYGMSSA-N 2 1 371.507 -0.758 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417091198 483892494 /nfs/dbraw/zinc/89/24/94/483892494.db2.gz JGDBAGXHKSEEPT-INIZCTEOSA-N 2 1 369.510 -0.192 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417091199 483892297 /nfs/dbraw/zinc/89/22/97/483892297.db2.gz JGDBAGXHKSEEPT-MRXNPFEDSA-N 2 1 369.510 -0.192 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417097198 483892474 /nfs/dbraw/zinc/89/24/74/483892474.db2.gz XATVZBLUKMYWMC-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417097198 483892471 /nfs/dbraw/zinc/89/24/71/483892471.db2.gz XATVZBLUKMYWMC-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417097206 483892633 /nfs/dbraw/zinc/89/26/33/483892633.db2.gz XATVZBLUKMYWMC-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417097206 483892631 /nfs/dbraw/zinc/89/26/31/483892631.db2.gz XATVZBLUKMYWMC-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417284328 484290898 /nfs/dbraw/zinc/29/08/98/484290898.db2.gz FONMYCLQPMBIPS-CYBMUJFWSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417284329 484290766 /nfs/dbraw/zinc/29/07/66/484290766.db2.gz FONMYCLQPMBIPS-ZDUSSCGKSA-N 2 1 361.512 -0.655 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417363130 483898648 /nfs/dbraw/zinc/89/86/48/483898648.db2.gz ALJUNGWZPJDHEV-KRWDZBQOSA-N 2 1 362.478 -0.119 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417363133 483898510 /nfs/dbraw/zinc/89/85/10/483898510.db2.gz ALJUNGWZPJDHEV-QGZVFWFLSA-N 2 1 362.478 -0.119 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000417378088 483906667 /nfs/dbraw/zinc/90/66/67/483906667.db2.gz DWNJXNSULPWHLE-UHFFFAOYSA-N 2 1 374.489 -0.023 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000417391325 483942746 /nfs/dbraw/zinc/94/27/46/483942746.db2.gz RLBRWOJOYWOWPO-KRWDZBQOSA-N 2 1 362.478 -0.037 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000417391337 483941725 /nfs/dbraw/zinc/94/17/25/483941725.db2.gz RLBRWOJOYWOWPO-QGZVFWFLSA-N 2 1 362.478 -0.037 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426522 484002490 /nfs/dbraw/zinc/00/24/90/484002490.db2.gz HAOZVMOGZXHQRC-INIZCTEOSA-N 2 1 368.526 -0.476 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426532 484002427 /nfs/dbraw/zinc/00/24/27/484002427.db2.gz HAOZVMOGZXHQRC-MRXNPFEDSA-N 2 1 368.526 -0.476 20 0 FBADMP COC[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434242 484003414 /nfs/dbraw/zinc/00/34/14/484003414.db2.gz WXCULNZWIRIDFQ-CRAIPNDOSA-N 2 1 369.510 -0.003 20 0 FBADMP COC[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434248 484003060 /nfs/dbraw/zinc/00/30/60/484003060.db2.gz WXCULNZWIRIDFQ-MAUKXSAKSA-N 2 1 369.510 -0.003 20 0 FBADMP COC[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434249 484002839 /nfs/dbraw/zinc/00/28/39/484002839.db2.gz WXCULNZWIRIDFQ-QAPCUYQASA-N 2 1 369.510 -0.003 20 0 FBADMP COC[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434250 484002578 /nfs/dbraw/zinc/00/25/78/484002578.db2.gz WXCULNZWIRIDFQ-YJBOKZPZSA-N 2 1 369.510 -0.003 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442019 484004648 /nfs/dbraw/zinc/00/46/48/484004648.db2.gz SDUMJVRERRUBGD-GFCCVEGCSA-N 2 1 355.405 -0.300 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442020 484004239 /nfs/dbraw/zinc/00/42/39/484004239.db2.gz SDUMJVRERRUBGD-LBPRGKRZSA-N 2 1 355.405 -0.300 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417445819 484008152 /nfs/dbraw/zinc/00/81/52/484008152.db2.gz ILKNEDKHUPTFRP-HNNXBMFYSA-N 2 1 355.483 -0.582 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417445820 484008527 /nfs/dbraw/zinc/00/85/27/484008527.db2.gz ILKNEDKHUPTFRP-OAHLLOKOSA-N 2 1 355.483 -0.582 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417445952 484008753 /nfs/dbraw/zinc/00/87/53/484008753.db2.gz JAQNMCNGLNNQCZ-CYBMUJFWSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417445952 484008745 /nfs/dbraw/zinc/00/87/45/484008745.db2.gz JAQNMCNGLNNQCZ-CYBMUJFWSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417445953 484008440 /nfs/dbraw/zinc/00/84/40/484008440.db2.gz JAQNMCNGLNNQCZ-ZDUSSCGKSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417445953 484008424 /nfs/dbraw/zinc/00/84/24/484008424.db2.gz JAQNMCNGLNNQCZ-ZDUSSCGKSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[N@@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417466414 484018260 /nfs/dbraw/zinc/01/82/60/484018260.db2.gz ULUARGNMOJULLC-UHFFFAOYSA-N 2 1 361.512 -0.655 20 0 FBADMP CC[N@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417466414 484018252 /nfs/dbraw/zinc/01/82/52/484018252.db2.gz ULUARGNMOJULLC-UHFFFAOYSA-N 2 1 361.512 -0.655 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559761 484036893 /nfs/dbraw/zinc/03/68/93/484036893.db2.gz ANAGJOWZGBYDRD-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559762 484036671 /nfs/dbraw/zinc/03/66/71/484036671.db2.gz ANAGJOWZGBYDRD-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559763 484036610 /nfs/dbraw/zinc/03/66/10/484036610.db2.gz ANAGJOWZGBYDRD-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559764 484037487 /nfs/dbraw/zinc/03/74/87/484037487.db2.gz ANAGJOWZGBYDRD-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417605750 484046814 /nfs/dbraw/zinc/04/68/14/484046814.db2.gz CFOGMOSDFJJRLL-UHFFFAOYSA-N 2 1 361.512 -0.653 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417605750 484046809 /nfs/dbraw/zinc/04/68/09/484046809.db2.gz CFOGMOSDFJJRLL-UHFFFAOYSA-N 2 1 361.512 -0.653 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417702110 484066246 /nfs/dbraw/zinc/06/62/46/484066246.db2.gz ILMMPUGCIAKBOA-CABCVRRESA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417702111 484066202 /nfs/dbraw/zinc/06/62/02/484066202.db2.gz ILMMPUGCIAKBOA-GJZGRUSLSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417702112 484066371 /nfs/dbraw/zinc/06/63/71/484066371.db2.gz ILMMPUGCIAKBOA-HUUCEWRRSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417702113 484066264 /nfs/dbraw/zinc/06/62/64/484066264.db2.gz ILMMPUGCIAKBOA-LSDHHAIUSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702922 484065489 /nfs/dbraw/zinc/06/54/89/484065489.db2.gz JKUAYZSQGWCKRK-CHWSQXEVSA-N 2 1 367.416 -0.158 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702923 484065588 /nfs/dbraw/zinc/06/55/88/484065588.db2.gz JKUAYZSQGWCKRK-OLZOCXBDSA-N 2 1 367.416 -0.158 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702924 484065834 /nfs/dbraw/zinc/06/58/34/484065834.db2.gz JKUAYZSQGWCKRK-QWHCGFSZSA-N 2 1 367.416 -0.158 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702925 484066570 /nfs/dbraw/zinc/06/65/70/484066570.db2.gz JKUAYZSQGWCKRK-STQMWFEESA-N 2 1 367.416 -0.158 20 0 FBADMP C[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000417716831 484068102 /nfs/dbraw/zinc/06/81/02/484068102.db2.gz KBCPEPLGOBNSRB-CVEARBPZSA-N 2 1 369.510 -0.016 20 0 FBADMP C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000417716832 484067698 /nfs/dbraw/zinc/06/76/98/484067698.db2.gz KBCPEPLGOBNSRB-HOTGVXAUSA-N 2 1 369.510 -0.016 20 0 FBADMP C[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000417716833 484067824 /nfs/dbraw/zinc/06/78/24/484067824.db2.gz KBCPEPLGOBNSRB-HZPDHXFCSA-N 2 1 369.510 -0.016 20 0 FBADMP C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000417716834 484067200 /nfs/dbraw/zinc/06/72/00/484067200.db2.gz KBCPEPLGOBNSRB-JKSUJKDBSA-N 2 1 369.510 -0.016 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417742446 484073616 /nfs/dbraw/zinc/07/36/16/484073616.db2.gz BCKWCUTXWMRJBM-INIZCTEOSA-N 2 1 369.510 -0.192 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417742448 484073921 /nfs/dbraw/zinc/07/39/21/484073921.db2.gz BCKWCUTXWMRJBM-MRXNPFEDSA-N 2 1 369.510 -0.192 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(CC[NH3+])CCO ZINC000417745109 484072926 /nfs/dbraw/zinc/07/29/26/484072926.db2.gz NSQPLMWNBKZHNN-HNNXBMFYSA-N 2 1 350.467 -0.445 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(CC[NH3+])CCO ZINC000417745110 484073879 /nfs/dbraw/zinc/07/38/79/484073879.db2.gz NSQPLMWNBKZHNN-OAHLLOKOSA-N 2 1 350.467 -0.445 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417753283 484077322 /nfs/dbraw/zinc/07/73/22/484077322.db2.gz OBFGLSCJJSIUQW-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417753283 484077317 /nfs/dbraw/zinc/07/73/17/484077317.db2.gz OBFGLSCJJSIUQW-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417753284 484077674 /nfs/dbraw/zinc/07/76/74/484077674.db2.gz OBFGLSCJJSIUQW-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417753284 484077665 /nfs/dbraw/zinc/07/76/65/484077665.db2.gz OBFGLSCJJSIUQW-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417808272 484104914 /nfs/dbraw/zinc/10/49/14/484104914.db2.gz FIULJKKQFRSARZ-UHFFFAOYSA-N 2 1 361.512 -0.653 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417808272 484104911 /nfs/dbraw/zinc/10/49/11/484104911.db2.gz FIULJKKQFRSARZ-UHFFFAOYSA-N 2 1 361.512 -0.653 20 0 FBADMP C[C@H]1[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002676 484512481 /nfs/dbraw/zinc/51/24/81/484512481.db2.gz MFJWJFHVTMZZBS-GXTWGEPZSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002676 484512479 /nfs/dbraw/zinc/51/24/79/484512479.db2.gz MFJWJFHVTMZZBS-GXTWGEPZSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002685 484512640 /nfs/dbraw/zinc/51/26/40/484512640.db2.gz MFJWJFHVTMZZBS-JSGCOSHPSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002685 484512638 /nfs/dbraw/zinc/51/26/38/484512638.db2.gz MFJWJFHVTMZZBS-JSGCOSHPSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002687 484511632 /nfs/dbraw/zinc/51/16/32/484511632.db2.gz MFJWJFHVTMZZBS-OCCSQVGLSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002687 484511627 /nfs/dbraw/zinc/51/16/27/484511627.db2.gz MFJWJFHVTMZZBS-OCCSQVGLSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002689 484512050 /nfs/dbraw/zinc/51/20/50/484512050.db2.gz MFJWJFHVTMZZBS-TZMCWYRMSA-N 2 1 359.496 -0.902 20 0 FBADMP C[C@@H]1[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002689 484512049 /nfs/dbraw/zinc/51/20/49/484512049.db2.gz MFJWJFHVTMZZBS-TZMCWYRMSA-N 2 1 359.496 -0.902 20 0 FBADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418020828 484529795 /nfs/dbraw/zinc/52/97/95/484529795.db2.gz OBFIMBKBMAJOGQ-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418020829 484530193 /nfs/dbraw/zinc/53/01/93/484530193.db2.gz OBFIMBKBMAJOGQ-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418198294 484077387 /nfs/dbraw/zinc/07/73/87/484077387.db2.gz LEUHVPYFTFQERT-ZDUSSCGKSA-N 2 1 361.512 -0.656 20 0 FBADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418198294 484077381 /nfs/dbraw/zinc/07/73/81/484077381.db2.gz LEUHVPYFTFQERT-ZDUSSCGKSA-N 2 1 361.512 -0.656 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418230323 484085900 /nfs/dbraw/zinc/08/59/00/484085900.db2.gz WNMLRQNYEDXWFE-CYBMUJFWSA-N 2 1 367.416 -0.156 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418230324 484086088 /nfs/dbraw/zinc/08/60/88/484086088.db2.gz WNMLRQNYEDXWFE-ZDUSSCGKSA-N 2 1 367.416 -0.156 20 0 FBADMP C[N@@H+](CCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418265051 484096091 /nfs/dbraw/zinc/09/60/91/484096091.db2.gz LJMBVMLLISIKKP-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP C[N@H+](CCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418265051 484096085 /nfs/dbraw/zinc/09/60/85/484096085.db2.gz LJMBVMLLISIKKP-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418287235 484199900 /nfs/dbraw/zinc/19/99/00/484199900.db2.gz JQLKFOFSQCOTQW-UHFFFAOYSA-N 2 1 354.543 -0.003 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418288329 484240923 /nfs/dbraw/zinc/24/09/23/484240923.db2.gz ARSSCTFGNGJZMI-MSOLQXFVSA-N 2 1 361.490 -0.174 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418288330 484240616 /nfs/dbraw/zinc/24/06/16/484240616.db2.gz ARSSCTFGNGJZMI-QZTJIDSGSA-N 2 1 361.490 -0.174 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418288331 484240805 /nfs/dbraw/zinc/24/08/05/484240805.db2.gz ARSSCTFGNGJZMI-ROUUACIJSA-N 2 1 361.490 -0.174 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418288332 484241117 /nfs/dbraw/zinc/24/11/17/484241117.db2.gz ARSSCTFGNGJZMI-ZWKOTPCHSA-N 2 1 361.490 -0.174 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418291251 484293211 /nfs/dbraw/zinc/29/32/11/484293211.db2.gz AXVMRYZZGXQKHH-IBGZPJMESA-N 2 1 361.490 -0.172 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418291255 484293630 /nfs/dbraw/zinc/29/36/30/484293630.db2.gz AXVMRYZZGXQKHH-LJQANCHMSA-N 2 1 361.490 -0.172 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418297630 484465821 /nfs/dbraw/zinc/46/58/21/484465821.db2.gz KNLDSJNBSKCXLR-GOSISDBHSA-N 2 1 361.490 -0.390 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298637 484466776 /nfs/dbraw/zinc/46/67/76/484466776.db2.gz MQZYLYGYXBUAFH-INIZCTEOSA-N 2 1 366.510 -0.770 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298894 484466869 /nfs/dbraw/zinc/46/68/69/484466869.db2.gz MQZYLYGYXBUAFH-MRXNPFEDSA-N 2 1 366.510 -0.770 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302828 484465881 /nfs/dbraw/zinc/46/58/81/484465881.db2.gz MOVVGRWFGOVRDV-KRWDZBQOSA-N 3 1 354.543 -0.051 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302848 484467019 /nfs/dbraw/zinc/46/70/19/484467019.db2.gz MOVVGRWFGOVRDV-QGZVFWFLSA-N 3 1 354.543 -0.051 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418304146 484467007 /nfs/dbraw/zinc/46/70/07/484467007.db2.gz XDCQUWDFZWTCFM-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418304146 484466999 /nfs/dbraw/zinc/46/69/99/484466999.db2.gz XDCQUWDFZWTCFM-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000418304147 484466900 /nfs/dbraw/zinc/46/69/00/484466900.db2.gz XDCQUWDFZWTCFM-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000418304147 484466892 /nfs/dbraw/zinc/46/68/92/484466892.db2.gz XDCQUWDFZWTCFM-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418305900 484466932 /nfs/dbraw/zinc/46/69/32/484466932.db2.gz PSYOIAMGEGUPTO-UHFFFAOYSA-N 2 1 368.526 -0.523 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418305900 484466926 /nfs/dbraw/zinc/46/69/26/484466926.db2.gz PSYOIAMGEGUPTO-UHFFFAOYSA-N 2 1 368.526 -0.523 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418504253 484624514 /nfs/dbraw/zinc/62/45/14/484624514.db2.gz ASVTWBQAPOLUSF-UHFFFAOYSA-N 2 1 357.499 -0.192 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418504253 484624510 /nfs/dbraw/zinc/62/45/10/484624510.db2.gz ASVTWBQAPOLUSF-UHFFFAOYSA-N 2 1 357.499 -0.192 20 0 FBADMP COCC[NH2+]CCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418507746 484624771 /nfs/dbraw/zinc/62/47/71/484624771.db2.gz LLAYOOXQYJEALP-QGZVFWFLSA-N 2 1 350.463 -0.059 20 0 FBADMP COCC[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418611504 484628098 /nfs/dbraw/zinc/62/80/98/484628098.db2.gz HQMIMMNRDBHFJS-CYBMUJFWSA-N 2 1 367.416 -0.204 20 0 FBADMP COCC[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418611505 484628315 /nfs/dbraw/zinc/62/83/15/484628315.db2.gz HQMIMMNRDBHFJS-ZDUSSCGKSA-N 2 1 367.416 -0.204 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611574 484628272 /nfs/dbraw/zinc/62/82/72/484628272.db2.gz HXXUUROFTRPARA-GFCCVEGCSA-N 2 1 355.405 -0.564 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611575 484628327 /nfs/dbraw/zinc/62/83/27/484628327.db2.gz HXXUUROFTRPARA-LBPRGKRZSA-N 2 1 355.405 -0.564 20 0 FBADMP COC[C@@]1(CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000418628195 484628998 /nfs/dbraw/zinc/62/89/98/484628998.db2.gz AQYOKWHETYLPCZ-KRWDZBQOSA-N 2 1 355.483 -0.440 20 0 FBADMP COC[C@]1(CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000418628196 484628845 /nfs/dbraw/zinc/62/88/45/484628845.db2.gz AQYOKWHETYLPCZ-QGZVFWFLSA-N 2 1 355.483 -0.440 20 0 FBADMP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418744550 484633725 /nfs/dbraw/zinc/63/37/25/484633725.db2.gz FEGGIKNVSMTWIG-CYBMUJFWSA-N 2 1 359.496 -0.853 20 0 FBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418744551 484634773 /nfs/dbraw/zinc/63/47/73/484634773.db2.gz FEGGIKNVSMTWIG-ZDUSSCGKSA-N 2 1 359.496 -0.853 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418751313 484634699 /nfs/dbraw/zinc/63/46/99/484634699.db2.gz AERWFFNBYWZASI-KSZLIROESA-N 2 1 361.490 -0.175 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418751314 484634386 /nfs/dbraw/zinc/63/43/86/484634386.db2.gz AERWFFNBYWZASI-KURKYZTESA-N 2 1 361.490 -0.175 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418751315 484634002 /nfs/dbraw/zinc/63/40/02/484634002.db2.gz AERWFFNBYWZASI-KZNAEPCWSA-N 2 1 361.490 -0.175 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418751316 484634473 /nfs/dbraw/zinc/63/44/73/484634473.db2.gz AERWFFNBYWZASI-RCCFBDPRSA-N 2 1 361.490 -0.175 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418751718 484634689 /nfs/dbraw/zinc/63/46/89/484634689.db2.gz AQPOKBLKUSGPGI-INIZCTEOSA-N 2 1 368.526 -0.524 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418751718 484634686 /nfs/dbraw/zinc/63/46/86/484634686.db2.gz AQPOKBLKUSGPGI-INIZCTEOSA-N 2 1 368.526 -0.524 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418751719 484633771 /nfs/dbraw/zinc/63/37/71/484633771.db2.gz AQPOKBLKUSGPGI-MRXNPFEDSA-N 2 1 368.526 -0.524 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418751719 484633765 /nfs/dbraw/zinc/63/37/65/484633765.db2.gz AQPOKBLKUSGPGI-MRXNPFEDSA-N 2 1 368.526 -0.524 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418751966 484634201 /nfs/dbraw/zinc/63/42/01/484634201.db2.gz AYHQEJXAOHTCEQ-QZTJIDSGSA-N 2 1 361.490 -0.392 20 0 FBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418751967 484634252 /nfs/dbraw/zinc/63/42/52/484634252.db2.gz AYHQEJXAOHTCEQ-ZWKOTPCHSA-N 2 1 361.490 -0.392 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753618 484634766 /nfs/dbraw/zinc/63/47/66/484634766.db2.gz DEBHSSFJOOPRAK-DLBZAZTESA-N 3 1 354.543 -0.053 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753631 484634304 /nfs/dbraw/zinc/63/43/04/484634304.db2.gz DEBHSSFJOOPRAK-IAGOWNOFSA-N 3 1 354.543 -0.053 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753633 484634456 /nfs/dbraw/zinc/63/44/56/484634456.db2.gz DEBHSSFJOOPRAK-IRXDYDNUSA-N 3 1 354.543 -0.053 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753634 484634667 /nfs/dbraw/zinc/63/46/67/484634667.db2.gz DEBHSSFJOOPRAK-SJORKVTESA-N 3 1 354.543 -0.053 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418756439 484633981 /nfs/dbraw/zinc/63/39/81/484633981.db2.gz GUCOMPQOXYPXGI-MJGOQNOKSA-N 2 1 361.490 -0.174 20 0 FBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418756440 484634866 /nfs/dbraw/zinc/63/48/66/484634866.db2.gz GUCOMPQOXYPXGI-PKOBYXMFSA-N 2 1 361.490 -0.174 20 0 FBADMP C[C@@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCC[N@H+]1Cc1ccccc1 ZINC000418809551 484645718 /nfs/dbraw/zinc/64/57/18/484645718.db2.gz GLHKSBZRTMMNMU-IBGZPJMESA-N 2 1 362.474 -0.063 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCC[N@H+]1Cc1ccccc1 ZINC000418809552 484644745 /nfs/dbraw/zinc/64/47/45/484644745.db2.gz GLHKSBZRTMMNMU-LJQANCHMSA-N 2 1 362.474 -0.063 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823891 484650109 /nfs/dbraw/zinc/65/01/09/484650109.db2.gz CPTVAOHTOSFMCQ-UHFFFAOYSA-N 2 1 370.494 -0.510 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C ZINC000418825652 484651084 /nfs/dbraw/zinc/65/10/84/484651084.db2.gz ANXFFRANQCCDDP-AWEZNQCLSA-N 2 1 352.435 -0.806 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C ZINC000418825656 484651727 /nfs/dbraw/zinc/65/17/27/484651727.db2.gz ANXFFRANQCCDDP-CQSZACIVSA-N 2 1 352.435 -0.806 20 0 FBADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827354 484651715 /nfs/dbraw/zinc/65/17/15/484651715.db2.gz GTEQHPHGSZUDPS-HNNXBMFYSA-N 2 1 352.479 -0.055 20 0 FBADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827355 484651836 /nfs/dbraw/zinc/65/18/36/484651836.db2.gz GTEQHPHGSZUDPS-OAHLLOKOSA-N 2 1 352.479 -0.055 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418836893 484656411 /nfs/dbraw/zinc/65/64/11/484656411.db2.gz RWEGHRPXEHYQRB-HNNXBMFYSA-N 2 1 368.478 -0.758 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418836894 484655951 /nfs/dbraw/zinc/65/59/51/484655951.db2.gz RWEGHRPXEHYQRB-OAHLLOKOSA-N 2 1 368.478 -0.758 20 0 FBADMP [NH3+][C@@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418836895 484655764 /nfs/dbraw/zinc/65/57/64/484655764.db2.gz RWLVUEXLVZIFSB-HNNXBMFYSA-N 2 1 352.479 -0.009 20 0 FBADMP [NH3+][C@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418836896 484655723 /nfs/dbraw/zinc/65/57/23/484655723.db2.gz RWLVUEXLVZIFSB-OAHLLOKOSA-N 2 1 352.479 -0.009 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000418838930 484657642 /nfs/dbraw/zinc/65/76/42/484657642.db2.gz WABQPUCRDOYGQT-HNNXBMFYSA-N 2 1 368.478 -0.676 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000418838931 484657628 /nfs/dbraw/zinc/65/76/28/484657628.db2.gz WABQPUCRDOYGQT-OAHLLOKOSA-N 2 1 368.478 -0.676 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418838932 484657336 /nfs/dbraw/zinc/65/73/36/484657336.db2.gz WAHNMXLLFVOYET-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418838933 484657670 /nfs/dbraw/zinc/65/76/70/484657670.db2.gz WAHNMXLLFVOYET-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418839000 484657379 /nfs/dbraw/zinc/65/73/79/484657379.db2.gz WHNOCYGODLXMAB-HNNXBMFYSA-N 2 1 352.479 -0.009 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418839001 484657569 /nfs/dbraw/zinc/65/75/69/484657569.db2.gz WHNOCYGODLXMAB-OAHLLOKOSA-N 2 1 352.479 -0.009 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000418843103 484660204 /nfs/dbraw/zinc/66/02/04/484660204.db2.gz RGIVNAJBKYRESS-HNNXBMFYSA-N 2 1 363.462 -0.446 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000418843108 484660217 /nfs/dbraw/zinc/66/02/17/484660217.db2.gz RGIVNAJBKYRESS-OAHLLOKOSA-N 2 1 363.462 -0.446 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000418846371 484659794 /nfs/dbraw/zinc/65/97/94/484659794.db2.gz XVJQMJMREPSNAP-KBPBESRZSA-N 2 1 350.419 -0.281 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000418846372 484659833 /nfs/dbraw/zinc/65/98/33/484659833.db2.gz XVJQMJMREPSNAP-KGLIPLIRSA-N 2 1 350.419 -0.281 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000418846373 484660457 /nfs/dbraw/zinc/66/04/57/484660457.db2.gz XVJQMJMREPSNAP-UONOGXRCSA-N 2 1 350.419 -0.281 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000418846374 484660539 /nfs/dbraw/zinc/66/05/39/484660539.db2.gz XVJQMJMREPSNAP-ZIAGYGMSSA-N 2 1 350.419 -0.281 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)n1C ZINC000418849894 484660912 /nfs/dbraw/zinc/66/09/12/484660912.db2.gz BTQVTYVTLYCQCK-CYBMUJFWSA-N 2 1 350.467 -0.003 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)n1C ZINC000418849895 484661444 /nfs/dbraw/zinc/66/14/44/484661444.db2.gz BTQVTYVTLYCQCK-ZDUSSCGKSA-N 2 1 350.467 -0.003 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000418850028 484661786 /nfs/dbraw/zinc/66/17/86/484661786.db2.gz NKCRELJIOXTICQ-ILXRZTDVSA-N 2 1 364.446 -0.795 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000418850029 484661159 /nfs/dbraw/zinc/66/11/59/484661159.db2.gz NKCRELJIOXTICQ-KKUMJFAQSA-N 2 1 364.446 -0.795 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418851711 484663709 /nfs/dbraw/zinc/66/37/09/484663709.db2.gz PXZDPCBPDPXUQL-DZGCQCFKSA-N 2 1 364.446 -0.481 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418851712 484663091 /nfs/dbraw/zinc/66/30/91/484663091.db2.gz PXZDPCBPDPXUQL-HIFRSBDPSA-N 2 1 364.446 -0.481 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418851713 484663350 /nfs/dbraw/zinc/66/33/50/484663350.db2.gz PXZDPCBPDPXUQL-UKRRQHHQSA-N 2 1 364.446 -0.481 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418851714 484663312 /nfs/dbraw/zinc/66/33/12/484663312.db2.gz PXZDPCBPDPXUQL-ZFWWWQNUSA-N 2 1 364.446 -0.481 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418857752 484665694 /nfs/dbraw/zinc/66/56/94/484665694.db2.gz ZQUBMBKMRNUUNV-DZGCQCFKSA-N 2 1 364.446 -0.400 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418857759 484666125 /nfs/dbraw/zinc/66/61/25/484666125.db2.gz ZQUBMBKMRNUUNV-HIFRSBDPSA-N 2 1 364.446 -0.400 20 0 FBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418857761 484666668 /nfs/dbraw/zinc/66/66/68/484666668.db2.gz ZQUBMBKMRNUUNV-UKRRQHHQSA-N 2 1 364.446 -0.400 20 0 FBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418857763 484666261 /nfs/dbraw/zinc/66/62/61/484666261.db2.gz ZQUBMBKMRNUUNV-ZFWWWQNUSA-N 2 1 364.446 -0.400 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858518 484666653 /nfs/dbraw/zinc/66/66/53/484666653.db2.gz JSMOGDGHKAIXAD-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858519 484665874 /nfs/dbraw/zinc/66/58/74/484665874.db2.gz JSMOGDGHKAIXAD-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858520 484665765 /nfs/dbraw/zinc/66/57/65/484665765.db2.gz JSMOGDGHKAIXAD-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858521 484666062 /nfs/dbraw/zinc/66/60/62/484666062.db2.gz JSMOGDGHKAIXAD-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418864509 484671732 /nfs/dbraw/zinc/67/17/32/484671732.db2.gz QVBLTKMEIIBFKL-KRWDZBQOSA-N 2 1 359.474 -0.602 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418864511 484671850 /nfs/dbraw/zinc/67/18/50/484671850.db2.gz QVBLTKMEIIBFKL-QGZVFWFLSA-N 2 1 359.474 -0.602 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868413 484672963 /nfs/dbraw/zinc/67/29/63/484672963.db2.gz WDMBAMDSFSQCSK-DLBZAZTESA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868414 484672727 /nfs/dbraw/zinc/67/27/27/484672727.db2.gz WDMBAMDSFSQCSK-IAGOWNOFSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868415 484673076 /nfs/dbraw/zinc/67/30/76/484673076.db2.gz WDMBAMDSFSQCSK-IRXDYDNUSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868416 484673680 /nfs/dbraw/zinc/67/36/80/484673680.db2.gz WDMBAMDSFSQCSK-SJORKVTESA-N 2 1 360.458 -0.047 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418879392 484675975 /nfs/dbraw/zinc/67/59/75/484675975.db2.gz NHXPOLZCDIOFKF-PBHICJAKSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418879399 484676118 /nfs/dbraw/zinc/67/61/18/484676118.db2.gz NHXPOLZCDIOFKF-RHSMWYFYSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418879402 484676775 /nfs/dbraw/zinc/67/67/75/484676775.db2.gz NHXPOLZCDIOFKF-WMLDXEAASA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418879409 484676731 /nfs/dbraw/zinc/67/67/31/484676731.db2.gz NHXPOLZCDIOFKF-YOEHRIQHSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882352 484679348 /nfs/dbraw/zinc/67/93/48/484679348.db2.gz SVJNLQXBLNGPQW-ILXRZTDVSA-N 2 1 370.494 -0.167 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882353 484679770 /nfs/dbraw/zinc/67/97/70/484679770.db2.gz SVJNLQXBLNGPQW-KFWWJZLASA-N 2 1 370.494 -0.167 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882354 484679113 /nfs/dbraw/zinc/67/91/13/484679113.db2.gz SVJNLQXBLNGPQW-QLFBSQMISA-N 2 1 370.494 -0.167 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882355 484679197 /nfs/dbraw/zinc/67/91/97/484679197.db2.gz SVJNLQXBLNGPQW-RBSFLKMASA-N 2 1 370.494 -0.167 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418884575 484681283 /nfs/dbraw/zinc/68/12/83/484681283.db2.gz WVZSXQZAZNZPEA-PBHICJAKSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418884576 484680326 /nfs/dbraw/zinc/68/03/26/484680326.db2.gz WVZSXQZAZNZPEA-RHSMWYFYSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418884578 484681183 /nfs/dbraw/zinc/68/11/83/484681183.db2.gz WVZSXQZAZNZPEA-WMLDXEAASA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418884583 484680396 /nfs/dbraw/zinc/68/03/96/484680396.db2.gz WVZSXQZAZNZPEA-YOEHRIQHSA-N 2 1 360.458 -0.310 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCO1 ZINC000418885165 484681560 /nfs/dbraw/zinc/68/15/60/484681560.db2.gz XXLLRAZYUAZLGM-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCO1 ZINC000418885166 484680794 /nfs/dbraw/zinc/68/07/94/484680794.db2.gz XXLLRAZYUAZLGM-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418908313 484690953 /nfs/dbraw/zinc/69/09/53/484690953.db2.gz HQGDHTXFKORBMO-KRWDZBQOSA-N 2 1 360.458 -0.045 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418908314 484691198 /nfs/dbraw/zinc/69/11/98/484691198.db2.gz HQGDHTXFKORBMO-QGZVFWFLSA-N 2 1 360.458 -0.045 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000418910124 484691038 /nfs/dbraw/zinc/69/10/38/484691038.db2.gz BBTACRDMRQQMRY-CRAIPNDOSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000418910142 484691485 /nfs/dbraw/zinc/69/14/85/484691485.db2.gz BBTACRDMRQQMRY-MAUKXSAKSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000418910146 484691640 /nfs/dbraw/zinc/69/16/40/484691640.db2.gz BBTACRDMRQQMRY-QAPCUYQASA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000418910149 484691135 /nfs/dbraw/zinc/69/11/35/484691135.db2.gz BBTACRDMRQQMRY-YJBOKZPZSA-N 2 1 352.479 -0.329 20 0 FBADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418910653 484691711 /nfs/dbraw/zinc/69/17/11/484691711.db2.gz KGQYKAJUFPKFGY-MSOLQXFVSA-N 2 1 372.469 -0.045 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418911420 484692007 /nfs/dbraw/zinc/69/20/07/484692007.db2.gz QEZQXIPATWZJJH-DLBZAZTESA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418911421 484691000 /nfs/dbraw/zinc/69/10/00/484691000.db2.gz QEZQXIPATWZJJH-IAGOWNOFSA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418911422 484692208 /nfs/dbraw/zinc/69/22/08/484692208.db2.gz QEZQXIPATWZJJH-IRXDYDNUSA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418911423 484691157 /nfs/dbraw/zinc/69/11/57/484691157.db2.gz QEZQXIPATWZJJH-SJORKVTESA-N 2 1 359.474 -0.431 20 0 FBADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418912216 484692222 /nfs/dbraw/zinc/69/22/22/484692222.db2.gz MFEOWBNJUIANOF-HDICACEKSA-N 2 1 372.469 -0.187 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000418912476 484691915 /nfs/dbraw/zinc/69/19/15/484691915.db2.gz DDFOVTIJQMYSRD-ARFHVFGLSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000418912477 484692128 /nfs/dbraw/zinc/69/21/28/484692128.db2.gz DDFOVTIJQMYSRD-BZUAXINKSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000418912478 484692036 /nfs/dbraw/zinc/69/20/36/484692036.db2.gz DDFOVTIJQMYSRD-HRCADAONSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000418912479 484691591 /nfs/dbraw/zinc/69/15/91/484691591.db2.gz DDFOVTIJQMYSRD-OWCLPIDISA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418914320 484691319 /nfs/dbraw/zinc/69/13/19/484691319.db2.gz FGKGWJRCXMHVSS-INIZCTEOSA-N 2 1 352.479 -0.115 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418914321 484691833 /nfs/dbraw/zinc/69/18/33/484691833.db2.gz FGKGWJRCXMHVSS-MRXNPFEDSA-N 2 1 352.479 -0.115 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000418916183 484691976 /nfs/dbraw/zinc/69/19/76/484691976.db2.gz GUCKPAZFTKDAGD-ARFHVFGLSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000418916184 484691723 /nfs/dbraw/zinc/69/17/23/484691723.db2.gz GUCKPAZFTKDAGD-BZUAXINKSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000418916185 484690882 /nfs/dbraw/zinc/69/08/82/484690882.db2.gz GUCKPAZFTKDAGD-HRCADAONSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000418916186 484691695 /nfs/dbraw/zinc/69/16/95/484691695.db2.gz GUCKPAZFTKDAGD-OWCLPIDISA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000418917040 484691739 /nfs/dbraw/zinc/69/17/39/484691739.db2.gz HSQQOLMFPDOWGU-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000418917041 484691561 /nfs/dbraw/zinc/69/15/61/484691561.db2.gz HSQQOLMFPDOWGU-PMPSAXMXSA-N 2 1 352.479 -0.188 20 0 FBADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418918077 484686741 /nfs/dbraw/zinc/68/67/41/484686741.db2.gz VGMOJFFDWWTJEB-UHFFFAOYSA-N 2 1 360.458 -0.043 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418919040 484686223 /nfs/dbraw/zinc/68/62/23/484686223.db2.gz JRHYAUUMCWNWMM-MWDXBVQZSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418919046 484686313 /nfs/dbraw/zinc/68/63/13/484686313.db2.gz JRHYAUUMCWNWMM-QBPKDAKJSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418919051 484686998 /nfs/dbraw/zinc/68/69/98/484686998.db2.gz JRHYAUUMCWNWMM-YLFCFFPRSA-N 2 1 366.506 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418919056 484686974 /nfs/dbraw/zinc/68/69/74/484686974.db2.gz JRHYAUUMCWNWMM-YYIAUSFCSA-N 2 1 366.506 -0.036 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418919191 484689134 /nfs/dbraw/zinc/68/91/34/484689134.db2.gz JWMXOJVTLZTXFD-INIZCTEOSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418919198 484688515 /nfs/dbraw/zinc/68/85/15/484688515.db2.gz JWMXOJVTLZTXFD-MRXNPFEDSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000418920317 661883995 /nfs/dbraw/zinc/88/39/95/661883995.db2.gz KQYVJZICULYQRG-CRAIPNDOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000418920326 661883917 /nfs/dbraw/zinc/88/39/17/661883917.db2.gz KQYVJZICULYQRG-MAUKXSAKSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000418920333 661884090 /nfs/dbraw/zinc/88/40/90/661884090.db2.gz KQYVJZICULYQRG-QAPCUYQASA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000418920338 661883897 /nfs/dbraw/zinc/88/38/97/661883897.db2.gz KQYVJZICULYQRG-YJBOKZPZSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418920526 484688788 /nfs/dbraw/zinc/68/87/88/484688788.db2.gz LBCMXPXKEKBQMF-CVEARBPZSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418920527 484688184 /nfs/dbraw/zinc/68/81/84/484688184.db2.gz LBCMXPXKEKBQMF-HOTGVXAUSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418920528 484688464 /nfs/dbraw/zinc/68/84/64/484688464.db2.gz LBCMXPXKEKBQMF-HZPDHXFCSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418920529 484688018 /nfs/dbraw/zinc/68/80/18/484688018.db2.gz LBCMXPXKEKBQMF-JKSUJKDBSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418923830 484688008 /nfs/dbraw/zinc/68/80/08/484688008.db2.gz OKDORIHKWJYYCV-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418923831 484688867 /nfs/dbraw/zinc/68/88/67/484688867.db2.gz OKDORIHKWJYYCV-XHSDSOJGSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418925990 484688606 /nfs/dbraw/zinc/68/86/06/484688606.db2.gz QZEOPHRGEGXWIY-CRAIPNDOSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418925991 484688571 /nfs/dbraw/zinc/68/85/71/484688571.db2.gz QZEOPHRGEGXWIY-MAUKXSAKSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418925992 484688124 /nfs/dbraw/zinc/68/81/24/484688124.db2.gz QZEOPHRGEGXWIY-QAPCUYQASA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418925993 484688241 /nfs/dbraw/zinc/68/82/41/484688241.db2.gz QZEOPHRGEGXWIY-YJBOKZPZSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000418926002 484688974 /nfs/dbraw/zinc/68/89/74/484688974.db2.gz QZYIPOQRWIZKKX-KFWWJZLASA-N 2 1 370.494 -0.311 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000418926003 484688098 /nfs/dbraw/zinc/68/80/98/484688098.db2.gz QZYIPOQRWIZKKX-RBSFLKMASA-N 2 1 370.494 -0.311 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000418926004 484689181 /nfs/dbraw/zinc/68/91/81/484689181.db2.gz QZYIPOQRWIZKKX-RRFJBIMHSA-N 2 1 370.494 -0.311 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000418926005 484688033 /nfs/dbraw/zinc/68/80/33/484688033.db2.gz QZYIPOQRWIZKKX-ZNMIVQPWSA-N 2 1 370.494 -0.311 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000418927791 484688945 /nfs/dbraw/zinc/68/89/45/484688945.db2.gz UINPIQAATMBKSG-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000418927792 484688892 /nfs/dbraw/zinc/68/88/92/484688892.db2.gz UINPIQAATMBKSG-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000418927793 484688706 /nfs/dbraw/zinc/68/87/06/484688706.db2.gz UINPIQAATMBKSG-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000418927794 484688363 /nfs/dbraw/zinc/68/83/63/484688363.db2.gz UINPIQAATMBKSG-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418928718 484688685 /nfs/dbraw/zinc/68/86/85/484688685.db2.gz VKGRLWRAPALDGZ-ARFHVFGLSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418928719 484688661 /nfs/dbraw/zinc/68/86/61/484688661.db2.gz VKGRLWRAPALDGZ-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000418928720 484689239 /nfs/dbraw/zinc/68/92/39/484689239.db2.gz VKGRLWRAPALDGZ-HRCADAONSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000418928721 484688320 /nfs/dbraw/zinc/68/83/20/484688320.db2.gz VKGRLWRAPALDGZ-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418929877 484689030 /nfs/dbraw/zinc/68/90/30/484689030.db2.gz XERUECORRFZRRZ-HNNXBMFYSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418929878 484689161 /nfs/dbraw/zinc/68/91/61/484689161.db2.gz XERUECORRFZRRZ-OAHLLOKOSA-N 2 1 354.495 -0.035 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418932893 483421591 /nfs/dbraw/zinc/42/15/91/483421591.db2.gz HZWCAXWDSJKWAB-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418932895 483420814 /nfs/dbraw/zinc/42/08/14/483420814.db2.gz HZWCAXWDSJKWAB-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418932896 483421493 /nfs/dbraw/zinc/42/14/93/483421493.db2.gz HZWCAXWDSJKWAB-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418932898 483421193 /nfs/dbraw/zinc/42/11/93/483421193.db2.gz HZWCAXWDSJKWAB-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH3+])C2)cc(OC)c1 ZINC000418943962 484690288 /nfs/dbraw/zinc/69/02/88/484690288.db2.gz CMTNEVAQWMAAOO-AWEZNQCLSA-N 2 1 364.446 -0.141 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH3+])C2)cc(OC)c1 ZINC000418943962 484690280 /nfs/dbraw/zinc/69/02/80/484690280.db2.gz CMTNEVAQWMAAOO-AWEZNQCLSA-N 2 1 364.446 -0.141 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C2)cc(OC)c1 ZINC000418943963 484690680 /nfs/dbraw/zinc/69/06/80/484690680.db2.gz CMTNEVAQWMAAOO-CQSZACIVSA-N 2 1 364.446 -0.141 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C2)cc(OC)c1 ZINC000418943963 484690678 /nfs/dbraw/zinc/69/06/78/484690678.db2.gz CMTNEVAQWMAAOO-CQSZACIVSA-N 2 1 364.446 -0.141 20 0 FBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000418948178 484693018 /nfs/dbraw/zinc/69/30/18/484693018.db2.gz MZSXGKUDZAWRBP-KRWDZBQOSA-N 2 1 362.474 -0.063 20 0 FBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000418948179 484693441 /nfs/dbraw/zinc/69/34/41/484693441.db2.gz MZSXGKUDZAWRBP-QGZVFWFLSA-N 2 1 362.474 -0.063 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000418957345 484694955 /nfs/dbraw/zinc/69/49/55/484694955.db2.gz DNMPZZRABMZONT-INIZCTEOSA-N 2 1 361.490 -0.356 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000418957346 484695031 /nfs/dbraw/zinc/69/50/31/484695031.db2.gz DNMPZZRABMZONT-MRXNPFEDSA-N 2 1 361.490 -0.356 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960811 484695169 /nfs/dbraw/zinc/69/51/69/484695169.db2.gz JELSSOMVCLXCFX-GXTWGEPZSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960811 484695163 /nfs/dbraw/zinc/69/51/63/484695163.db2.gz JELSSOMVCLXCFX-GXTWGEPZSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960820 484695477 /nfs/dbraw/zinc/69/54/77/484695477.db2.gz JELSSOMVCLXCFX-JSGCOSHPSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960820 484695469 /nfs/dbraw/zinc/69/54/69/484695469.db2.gz JELSSOMVCLXCFX-JSGCOSHPSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960827 484695085 /nfs/dbraw/zinc/69/50/85/484695085.db2.gz JELSSOMVCLXCFX-OCCSQVGLSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960827 484695080 /nfs/dbraw/zinc/69/50/80/484695080.db2.gz JELSSOMVCLXCFX-OCCSQVGLSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960828 484694640 /nfs/dbraw/zinc/69/46/40/484694640.db2.gz JELSSOMVCLXCFX-TZMCWYRMSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418960828 484694636 /nfs/dbraw/zinc/69/46/36/484694636.db2.gz JELSSOMVCLXCFX-TZMCWYRMSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000418961299 484694310 /nfs/dbraw/zinc/69/43/10/484694310.db2.gz JNICZLHHONJSQH-CYBMUJFWSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000418961299 484694303 /nfs/dbraw/zinc/69/43/03/484694303.db2.gz JNICZLHHONJSQH-CYBMUJFWSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000418961300 484694435 /nfs/dbraw/zinc/69/44/35/484694435.db2.gz JNICZLHHONJSQH-ZDUSSCGKSA-N 2 1 350.419 -0.531 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000418961300 484694429 /nfs/dbraw/zinc/69/44/29/484694429.db2.gz JNICZLHHONJSQH-ZDUSSCGKSA-N 2 1 350.419 -0.531 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418965834 484695136 /nfs/dbraw/zinc/69/51/36/484695136.db2.gz PHLWBVNCBIAGKE-AWEZNQCLSA-N 2 1 364.446 -0.270 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418965834 484695132 /nfs/dbraw/zinc/69/51/32/484695132.db2.gz PHLWBVNCBIAGKE-AWEZNQCLSA-N 2 1 364.446 -0.270 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418965835 484694394 /nfs/dbraw/zinc/69/43/94/484694394.db2.gz PHLWBVNCBIAGKE-CQSZACIVSA-N 2 1 364.446 -0.270 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418965835 484694391 /nfs/dbraw/zinc/69/43/91/484694391.db2.gz PHLWBVNCBIAGKE-CQSZACIVSA-N 2 1 364.446 -0.270 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])C2)cc(OC)c1 ZINC000418967549 484696148 /nfs/dbraw/zinc/69/61/48/484696148.db2.gz RXCREKFSQXZNKH-AWEZNQCLSA-N 2 1 364.446 -0.189 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])C2)cc(OC)c1 ZINC000418967549 484696143 /nfs/dbraw/zinc/69/61/43/484696143.db2.gz RXCREKFSQXZNKH-AWEZNQCLSA-N 2 1 364.446 -0.189 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C2)cc(OC)c1 ZINC000418967552 484696421 /nfs/dbraw/zinc/69/64/21/484696421.db2.gz RXCREKFSQXZNKH-CQSZACIVSA-N 2 1 364.446 -0.189 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C2)cc(OC)c1 ZINC000418967552 484696417 /nfs/dbraw/zinc/69/64/17/484696417.db2.gz RXCREKFSQXZNKH-CQSZACIVSA-N 2 1 364.446 -0.189 20 0 FBADMP C[N@@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418993036 484701931 /nfs/dbraw/zinc/70/19/31/484701931.db2.gz GLMKMIIMFMMIQG-UHFFFAOYSA-N 2 1 361.490 -0.354 20 0 FBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1F ZINC000419017599 484698130 /nfs/dbraw/zinc/69/81/30/484698130.db2.gz BCTSXCTUUKXOJW-UHFFFAOYSA-N 2 1 363.393 -0.284 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022926 484699414 /nfs/dbraw/zinc/69/94/14/484699414.db2.gz CHMPWGVVXXGKHX-HNNXBMFYSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022927 484700002 /nfs/dbraw/zinc/70/00/02/484700002.db2.gz CHMPWGVVXXGKHX-OAHLLOKOSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419024749 484699915 /nfs/dbraw/zinc/69/99/15/484699915.db2.gz KYWJCKXDHJUDID-QLFBSQMISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419024754 484699264 /nfs/dbraw/zinc/69/92/64/484699264.db2.gz KYWJCKXDHJUDID-ZNMIVQPWSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024927 484699687 /nfs/dbraw/zinc/69/96/87/484699687.db2.gz LHKWKZZCOWXVGM-FZKCQIBNSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024928 484699482 /nfs/dbraw/zinc/69/94/82/484699482.db2.gz LHKWKZZCOWXVGM-QKPAOTATSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024930 484699800 /nfs/dbraw/zinc/69/98/00/484699800.db2.gz LHKWKZZCOWXVGM-QXSJWSMHSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024931 484699154 /nfs/dbraw/zinc/69/91/54/484699154.db2.gz LHKWKZZCOWXVGM-XUWVNRHRSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419026825 484699108 /nfs/dbraw/zinc/69/91/08/484699108.db2.gz NZCCTCLZDBFCKC-IYBDPMFKSA-N 2 1 367.538 -0.120 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030985 484701027 /nfs/dbraw/zinc/70/10/27/484701027.db2.gz UOZHILQKWWFOIX-OWCLPIDISA-N 2 1 353.511 -0.510 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030987 484700834 /nfs/dbraw/zinc/70/08/34/484700834.db2.gz UOZHILQKWWFOIX-XHSDSOJGSA-N 2 1 353.511 -0.510 20 0 FBADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419032010 484700671 /nfs/dbraw/zinc/70/06/71/484700671.db2.gz VNQIMMVGEYPQPJ-UHFFFAOYSA-N 2 1 361.490 -0.224 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000419037583 484701411 /nfs/dbraw/zinc/70/14/11/484701411.db2.gz IRXCMNWYTWRWSX-CHWSQXEVSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000419037583 484701406 /nfs/dbraw/zinc/70/14/06/484701406.db2.gz IRXCMNWYTWRWSX-CHWSQXEVSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000419037584 484701256 /nfs/dbraw/zinc/70/12/56/484701256.db2.gz IRXCMNWYTWRWSX-OLZOCXBDSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000419037584 484701251 /nfs/dbraw/zinc/70/12/51/484701251.db2.gz IRXCMNWYTWRWSX-OLZOCXBDSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000419037585 484701084 /nfs/dbraw/zinc/70/10/84/484701084.db2.gz IRXCMNWYTWRWSX-QWHCGFSZSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000419037585 484701078 /nfs/dbraw/zinc/70/10/78/484701078.db2.gz IRXCMNWYTWRWSX-QWHCGFSZSA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000419037586 484702473 /nfs/dbraw/zinc/70/24/73/484702473.db2.gz IRXCMNWYTWRWSX-STQMWFEESA-N 2 1 364.437 -0.050 20 0 FBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000419037586 484702467 /nfs/dbraw/zinc/70/24/67/484702467.db2.gz IRXCMNWYTWRWSX-STQMWFEESA-N 2 1 364.437 -0.050 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419044421 484705334 /nfs/dbraw/zinc/70/53/34/484705334.db2.gz LLEPUOMXEJQCFE-INIZCTEOSA-N 2 1 353.511 -0.223 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419044422 484704908 /nfs/dbraw/zinc/70/49/08/484704908.db2.gz LLEPUOMXEJQCFE-MRXNPFEDSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047602 484705198 /nfs/dbraw/zinc/70/51/98/484705198.db2.gz SVGWXRJFKZROIB-AEFFLSMTSA-N 2 1 373.501 -0.041 20 0 FBADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047603 484704666 /nfs/dbraw/zinc/70/46/66/484704666.db2.gz SVGWXRJFKZROIB-FUHWJXTLSA-N 2 1 373.501 -0.041 20 0 FBADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047604 484705222 /nfs/dbraw/zinc/70/52/22/484705222.db2.gz SVGWXRJFKZROIB-SJLPKXTDSA-N 2 1 373.501 -0.041 20 0 FBADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047605 484705035 /nfs/dbraw/zinc/70/50/35/484705035.db2.gz SVGWXRJFKZROIB-WMZOPIPTSA-N 2 1 373.501 -0.041 20 0 FBADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419054102 484706309 /nfs/dbraw/zinc/70/63/09/484706309.db2.gz GTEAYNADVWEQIN-IAGOWNOFSA-N 2 1 362.474 -0.025 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419059082 484707797 /nfs/dbraw/zinc/70/77/97/484707797.db2.gz CTFYBHTXRHNZOK-GASCZTMLSA-N 2 1 369.510 -0.988 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419059082 484707794 /nfs/dbraw/zinc/70/77/94/484707794.db2.gz CTFYBHTXRHNZOK-GASCZTMLSA-N 2 1 369.510 -0.988 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419059083 484707305 /nfs/dbraw/zinc/70/73/05/484707305.db2.gz CTFYBHTXRHNZOK-GJZGRUSLSA-N 2 1 369.510 -0.988 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419059084 484707537 /nfs/dbraw/zinc/70/75/37/484707537.db2.gz CTFYBHTXRHNZOK-HUUCEWRRSA-N 2 1 369.510 -0.988 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419060707 484707239 /nfs/dbraw/zinc/70/72/39/484707239.db2.gz FKROQAFKMZJEAK-HZSPNIEDSA-N 2 1 356.467 -0.824 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419060707 484707233 /nfs/dbraw/zinc/70/72/33/484707233.db2.gz FKROQAFKMZJEAK-HZSPNIEDSA-N 2 1 356.467 -0.824 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419060708 484708021 /nfs/dbraw/zinc/70/80/21/484708021.db2.gz FKROQAFKMZJEAK-MCIONIFRSA-N 2 1 356.467 -0.824 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419060709 484707347 /nfs/dbraw/zinc/70/73/47/484707347.db2.gz FKROQAFKMZJEAK-MGPQQGTHSA-N 2 1 356.467 -0.824 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419060710 484707432 /nfs/dbraw/zinc/70/74/32/484707432.db2.gz FKROQAFKMZJEAK-MJBXVCDLSA-N 2 1 356.467 -0.824 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419060710 484707429 /nfs/dbraw/zinc/70/74/29/484707429.db2.gz FKROQAFKMZJEAK-MJBXVCDLSA-N 2 1 356.467 -0.824 20 0 FBADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419060997 484707971 /nfs/dbraw/zinc/70/79/71/484707971.db2.gz URLKPGQYUIWWAB-QZTJIDSGSA-N 2 1 374.485 -0.025 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000419091656 484710001 /nfs/dbraw/zinc/71/00/01/484710001.db2.gz WLDIPIWXBMUQEK-KFWWJZLASA-N 2 1 370.494 -0.515 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000419091657 484710384 /nfs/dbraw/zinc/71/03/84/484710384.db2.gz WLDIPIWXBMUQEK-QLFBSQMISA-N 2 1 370.494 -0.515 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000419091657 484710379 /nfs/dbraw/zinc/71/03/79/484710379.db2.gz WLDIPIWXBMUQEK-QLFBSQMISA-N 2 1 370.494 -0.515 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000419091658 484710730 /nfs/dbraw/zinc/71/07/30/484710730.db2.gz WLDIPIWXBMUQEK-RBSFLKMASA-N 2 1 370.494 -0.515 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000419091659 484710028 /nfs/dbraw/zinc/71/00/28/484710028.db2.gz WLDIPIWXBMUQEK-ZNMIVQPWSA-N 2 1 370.494 -0.515 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000419091659 484710019 /nfs/dbraw/zinc/71/00/19/484710019.db2.gz WLDIPIWXBMUQEK-ZNMIVQPWSA-N 2 1 370.494 -0.515 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[nH+]c1 ZINC000419092914 484403978 /nfs/dbraw/zinc/40/39/78/484403978.db2.gz IFRKREDJUUKRKS-KBPBESRZSA-N 2 1 363.462 0.537 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[nH+]c1 ZINC000419092915 484403716 /nfs/dbraw/zinc/40/37/16/484403716.db2.gz IFRKREDJUUKRKS-KGLIPLIRSA-N 2 1 363.462 0.537 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)[nH+]c1 ZINC000419092916 484403788 /nfs/dbraw/zinc/40/37/88/484403788.db2.gz IFRKREDJUUKRKS-UONOGXRCSA-N 2 1 363.462 0.537 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)[nH+]c1 ZINC000419092917 484403400 /nfs/dbraw/zinc/40/34/00/484403400.db2.gz IFRKREDJUUKRKS-ZIAGYGMSSA-N 2 1 363.462 0.537 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419093603 484711436 /nfs/dbraw/zinc/71/14/36/484711436.db2.gz YLWQJPHEGPXBHY-KFWWJZLASA-N 2 1 370.494 -0.433 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419093604 484711664 /nfs/dbraw/zinc/71/16/64/484711664.db2.gz YLWQJPHEGPXBHY-QLFBSQMISA-N 2 1 370.494 -0.433 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419093604 484711660 /nfs/dbraw/zinc/71/16/60/484711660.db2.gz YLWQJPHEGPXBHY-QLFBSQMISA-N 2 1 370.494 -0.433 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419093605 484712331 /nfs/dbraw/zinc/71/23/31/484712331.db2.gz YLWQJPHEGPXBHY-RBSFLKMASA-N 2 1 370.494 -0.433 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419093606 484711399 /nfs/dbraw/zinc/71/13/99/484711399.db2.gz YLWQJPHEGPXBHY-ZNMIVQPWSA-N 2 1 370.494 -0.433 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419093606 484711394 /nfs/dbraw/zinc/71/13/94/484711394.db2.gz YLWQJPHEGPXBHY-ZNMIVQPWSA-N 2 1 370.494 -0.433 20 0 FBADMP CO[C@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)[C@@H](C[NH3+])C1 ZINC000419095970 484376769 /nfs/dbraw/zinc/37/67/69/484376769.db2.gz LMLTXXOABOQXMY-CABCVRRESA-N 2 1 363.462 0.273 20 0 FBADMP CO[C@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)[C@H](C[NH3+])C1 ZINC000419095971 484376830 /nfs/dbraw/zinc/37/68/30/484376830.db2.gz LMLTXXOABOQXMY-GJZGRUSLSA-N 2 1 363.462 0.273 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419111113 484713075 /nfs/dbraw/zinc/71/30/75/484713075.db2.gz CPWZREUPCOYAOB-CVEARBPZSA-N 2 1 370.494 -0.656 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419111114 484713666 /nfs/dbraw/zinc/71/36/66/484713666.db2.gz CPWZREUPCOYAOB-HOTGVXAUSA-N 2 1 370.494 -0.656 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419111115 484713599 /nfs/dbraw/zinc/71/35/99/484713599.db2.gz CPWZREUPCOYAOB-HZPDHXFCSA-N 2 1 370.494 -0.656 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419111116 484712905 /nfs/dbraw/zinc/71/29/05/484712905.db2.gz CPWZREUPCOYAOB-JKSUJKDBSA-N 2 1 370.494 -0.656 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419111146 484713860 /nfs/dbraw/zinc/71/38/60/484713860.db2.gz CWGCAKAQPLZMTA-BBWFWOEESA-N 2 1 366.506 -0.083 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419111147 484713801 /nfs/dbraw/zinc/71/38/01/484713801.db2.gz CWGCAKAQPLZMTA-IXDOHACOSA-N 2 1 366.506 -0.083 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115335 484714709 /nfs/dbraw/zinc/71/47/09/484714709.db2.gz XXJWGLXCVSGHFN-AWEZNQCLSA-N 2 1 353.467 -0.957 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115345 484714548 /nfs/dbraw/zinc/71/45/48/484714548.db2.gz XXJWGLXCVSGHFN-CQSZACIVSA-N 2 1 353.467 -0.957 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117011 484714918 /nfs/dbraw/zinc/71/49/18/484714918.db2.gz ZIXKGZSNYJJUJL-GFCCVEGCSA-N 2 1 365.400 -0.851 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117012 484715568 /nfs/dbraw/zinc/71/55/68/484715568.db2.gz ZIXKGZSNYJJUJL-LBPRGKRZSA-N 2 1 365.400 -0.851 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419118466 484715525 /nfs/dbraw/zinc/71/55/25/484715525.db2.gz NVFDECLOKMFTSD-CVEARBPZSA-N 2 1 370.494 -0.574 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419118469 484715046 /nfs/dbraw/zinc/71/50/46/484715046.db2.gz NVFDECLOKMFTSD-HOTGVXAUSA-N 2 1 370.494 -0.574 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419118471 484714587 /nfs/dbraw/zinc/71/45/87/484714587.db2.gz NVFDECLOKMFTSD-HZPDHXFCSA-N 2 1 370.494 -0.574 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419118473 484714297 /nfs/dbraw/zinc/71/42/97/484714297.db2.gz NVFDECLOKMFTSD-JKSUJKDBSA-N 2 1 370.494 -0.574 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419120129 484714769 /nfs/dbraw/zinc/71/47/69/484714769.db2.gz CAKFPHPADZSCMJ-CVEARBPZSA-N 2 1 355.527 -0.136 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419120133 484714805 /nfs/dbraw/zinc/71/48/05/484714805.db2.gz CAKFPHPADZSCMJ-HOTGVXAUSA-N 2 1 355.527 -0.136 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419120137 484715123 /nfs/dbraw/zinc/71/51/23/484715123.db2.gz CAKFPHPADZSCMJ-HZPDHXFCSA-N 2 1 355.527 -0.136 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419120141 484714371 /nfs/dbraw/zinc/71/43/71/484714371.db2.gz CAKFPHPADZSCMJ-JKSUJKDBSA-N 2 1 355.527 -0.136 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000419121347 484715605 /nfs/dbraw/zinc/71/56/05/484715605.db2.gz DGCVIVAQPTXTPU-JYJNAYRXSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000419121348 484715677 /nfs/dbraw/zinc/71/56/77/484715677.db2.gz DGCVIVAQPTXTPU-OAGGEKHMSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000419121349 484715192 /nfs/dbraw/zinc/71/51/92/484715192.db2.gz DGCVIVAQPTXTPU-PMPSAXMXSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000419121350 484715629 /nfs/dbraw/zinc/71/56/29/484715629.db2.gz DGCVIVAQPTXTPU-XHSDSOJGSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419125617 484716490 /nfs/dbraw/zinc/71/64/90/484716490.db2.gz KLGFVXQYKWSJDY-BBWFWOEESA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419125710 484716642 /nfs/dbraw/zinc/71/66/42/484716642.db2.gz KLGFVXQYKWSJDY-IKGGRYGDSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419125711 484717413 /nfs/dbraw/zinc/71/74/13/484717413.db2.gz KLGFVXQYKWSJDY-ULQDDVLXSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419125712 484716589 /nfs/dbraw/zinc/71/65/89/484716589.db2.gz KLGFVXQYKWSJDY-ZACQAIPSSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000419126692 484716703 /nfs/dbraw/zinc/71/67/03/484716703.db2.gz NQROCMFVWBCFSW-BBWFWOEESA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000419126693 484716778 /nfs/dbraw/zinc/71/67/78/484716778.db2.gz NQROCMFVWBCFSW-IKGGRYGDSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000419126694 484716884 /nfs/dbraw/zinc/71/68/84/484716884.db2.gz NQROCMFVWBCFSW-ULQDDVLXSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000419126695 484717104 /nfs/dbraw/zinc/71/71/04/484717104.db2.gz NQROCMFVWBCFSW-ZACQAIPSSA-N 2 1 367.538 -0.040 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419127581 484718897 /nfs/dbraw/zinc/71/88/97/484718897.db2.gz RJWKSBGHSYLJIX-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419127582 484718780 /nfs/dbraw/zinc/71/87/80/484718780.db2.gz RJWKSBGHSYLJIX-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419127583 484718622 /nfs/dbraw/zinc/71/86/22/484718622.db2.gz RJWKSBGHSYLJIX-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419127584 484718584 /nfs/dbraw/zinc/71/85/84/484718584.db2.gz RJWKSBGHSYLJIX-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000419127978 484718123 /nfs/dbraw/zinc/71/81/23/484718123.db2.gz UJAJZXIHALDZQQ-CVEARBPZSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000419127979 484718757 /nfs/dbraw/zinc/71/87/57/484718757.db2.gz UJAJZXIHALDZQQ-HOTGVXAUSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000419127980 484719012 /nfs/dbraw/zinc/71/90/12/484719012.db2.gz UJAJZXIHALDZQQ-HZPDHXFCSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000419127981 484718165 /nfs/dbraw/zinc/71/81/65/484718165.db2.gz UJAJZXIHALDZQQ-JKSUJKDBSA-N 2 1 353.511 -0.367 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000419129519 484718434 /nfs/dbraw/zinc/71/84/34/484718434.db2.gz YICZJZDUIRNKNI-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419129521 484718678 /nfs/dbraw/zinc/71/86/78/484718678.db2.gz YICZJZDUIRNKNI-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000419129523 484718858 /nfs/dbraw/zinc/71/88/58/484718858.db2.gz YICZJZDUIRNKNI-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419129525 484718611 /nfs/dbraw/zinc/71/86/11/484718611.db2.gz YICZJZDUIRNKNI-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132403 484719571 /nfs/dbraw/zinc/71/95/71/484719571.db2.gz BJRVTJISDQRXRF-DLBZAZTESA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132405 484720375 /nfs/dbraw/zinc/72/03/75/484720375.db2.gz BJRVTJISDQRXRF-IAGOWNOFSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132407 484720156 /nfs/dbraw/zinc/72/01/56/484720156.db2.gz BJRVTJISDQRXRF-IRXDYDNUSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132408 484720212 /nfs/dbraw/zinc/72/02/12/484720212.db2.gz BJRVTJISDQRXRF-SJORKVTESA-N 2 1 360.458 -0.047 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419132520 484719657 /nfs/dbraw/zinc/71/96/57/484719657.db2.gz DYQKLRVYSQBSDI-INIZCTEOSA-N 2 1 353.511 -0.508 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419132522 484719449 /nfs/dbraw/zinc/71/94/49/484719449.db2.gz DYQKLRVYSQBSDI-MRXNPFEDSA-N 2 1 353.511 -0.508 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419136096 484726062 /nfs/dbraw/zinc/72/60/62/484726062.db2.gz OHZAYPPIBBPEOS-DLBZAZTESA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419136097 484725808 /nfs/dbraw/zinc/72/58/08/484725808.db2.gz OHZAYPPIBBPEOS-IAGOWNOFSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419136098 484725927 /nfs/dbraw/zinc/72/59/27/484725927.db2.gz OHZAYPPIBBPEOS-IRXDYDNUSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419136099 484726400 /nfs/dbraw/zinc/72/64/00/484726400.db2.gz OHZAYPPIBBPEOS-SJORKVTESA-N 2 1 360.458 -0.047 20 0 FBADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137761 484726255 /nfs/dbraw/zinc/72/62/55/484726255.db2.gz RBUJIMGZNWSEFW-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137763 484726005 /nfs/dbraw/zinc/72/60/05/484726005.db2.gz RBUJIMGZNWSEFW-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137765 484725441 /nfs/dbraw/zinc/72/54/41/484725441.db2.gz RBUJIMGZNWSEFW-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137767 484725881 /nfs/dbraw/zinc/72/58/81/484725881.db2.gz RBUJIMGZNWSEFW-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419141324 484725529 /nfs/dbraw/zinc/72/55/29/484725529.db2.gz WTUABLLEKDHVST-GOSISDBHSA-N 2 1 373.501 -0.211 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419141325 484725508 /nfs/dbraw/zinc/72/55/08/484725508.db2.gz WTUABLLEKDHVST-SFHVURJKSA-N 2 1 373.501 -0.211 20 0 FBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419147636 484727905 /nfs/dbraw/zinc/72/79/05/484727905.db2.gz JDDIFENVDJAHII-DZGCQCFKSA-N 2 1 365.478 -0.815 20 0 FBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419147642 484727005 /nfs/dbraw/zinc/72/70/05/484727005.db2.gz JDDIFENVDJAHII-HIFRSBDPSA-N 2 1 365.478 -0.815 20 0 FBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419147644 484727645 /nfs/dbraw/zinc/72/76/45/484727645.db2.gz JDDIFENVDJAHII-UKRRQHHQSA-N 2 1 365.478 -0.815 20 0 FBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419147646 484727840 /nfs/dbraw/zinc/72/78/40/484727840.db2.gz JDDIFENVDJAHII-ZFWWWQNUSA-N 2 1 365.478 -0.815 20 0 FBADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419156813 484720108 /nfs/dbraw/zinc/72/01/08/484720108.db2.gz VQNUTPJKLIKIEH-UHFFFAOYSA-N 2 1 358.389 -0.047 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163661 484721786 /nfs/dbraw/zinc/72/17/86/484721786.db2.gz KDORCAGQNNFUFB-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163662 484721445 /nfs/dbraw/zinc/72/14/45/484721445.db2.gz KDORCAGQNNFUFB-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163663 484721192 /nfs/dbraw/zinc/72/11/92/484721192.db2.gz KDORCAGQNNFUFB-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163664 484721647 /nfs/dbraw/zinc/72/16/47/484721647.db2.gz KDORCAGQNNFUFB-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000419165197 484721210 /nfs/dbraw/zinc/72/12/10/484721210.db2.gz FWYPZBUIAULTFT-MSOLQXFVSA-N 2 1 374.485 -0.147 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000419165198 484720899 /nfs/dbraw/zinc/72/08/99/484720899.db2.gz FWYPZBUIAULTFT-QZTJIDSGSA-N 2 1 374.485 -0.147 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000419165199 484721739 /nfs/dbraw/zinc/72/17/39/484721739.db2.gz FWYPZBUIAULTFT-ROUUACIJSA-N 2 1 374.485 -0.147 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000419165200 484721257 /nfs/dbraw/zinc/72/12/57/484721257.db2.gz FWYPZBUIAULTFT-ZWKOTPCHSA-N 2 1 374.485 -0.147 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172119 484723103 /nfs/dbraw/zinc/72/31/03/484723103.db2.gz QOQIPYNOJBXBSK-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172122 484722733 /nfs/dbraw/zinc/72/27/33/484722733.db2.gz QOQIPYNOJBXBSK-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176857 484724555 /nfs/dbraw/zinc/72/45/55/484724555.db2.gz CIMNHCKXUSIJSS-CABCVRRESA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176858 484723986 /nfs/dbraw/zinc/72/39/86/484723986.db2.gz CIMNHCKXUSIJSS-GJZGRUSLSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176859 484724122 /nfs/dbraw/zinc/72/41/22/484724122.db2.gz CIMNHCKXUSIJSS-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176860 484724421 /nfs/dbraw/zinc/72/44/21/484724421.db2.gz CIMNHCKXUSIJSS-LSDHHAIUSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176873 484724390 /nfs/dbraw/zinc/72/43/90/484724390.db2.gz CLFLBSJZRMOXMS-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176874 484723843 /nfs/dbraw/zinc/72/38/43/484723843.db2.gz CLFLBSJZRMOXMS-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176875 484724038 /nfs/dbraw/zinc/72/40/38/484724038.db2.gz CLFLBSJZRMOXMS-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176876 484724237 /nfs/dbraw/zinc/72/42/37/484724237.db2.gz CLFLBSJZRMOXMS-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419179302 484724179 /nfs/dbraw/zinc/72/41/79/484724179.db2.gz HTPHJUSKWJOMCC-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419179303 484724085 /nfs/dbraw/zinc/72/40/85/484724085.db2.gz HTPHJUSKWJOMCC-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000419182841 484731872 /nfs/dbraw/zinc/73/18/72/484731872.db2.gz LUHKJKTYXYOYPW-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000419182843 484732326 /nfs/dbraw/zinc/73/23/26/484732326.db2.gz LUHKJKTYXYOYPW-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183406 484732909 /nfs/dbraw/zinc/73/29/09/484732909.db2.gz MFIQZCDZOKDAGV-KRWDZBQOSA-N 2 1 365.522 -0.079 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183409 484733137 /nfs/dbraw/zinc/73/31/37/484733137.db2.gz MFIQZCDZOKDAGV-QGZVFWFLSA-N 2 1 365.522 -0.079 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419183596 484733094 /nfs/dbraw/zinc/73/30/94/484733094.db2.gz DUEPAPNGURZYSN-UHFFFAOYSA-N 2 1 353.511 -0.094 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419184347 484733989 /nfs/dbraw/zinc/73/39/89/484733989.db2.gz NIBBGGUCWYKCJF-CABCVRRESA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419184348 484733670 /nfs/dbraw/zinc/73/36/70/484733670.db2.gz NIBBGGUCWYKCJF-GJZGRUSLSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419184349 484733715 /nfs/dbraw/zinc/73/37/15/484733715.db2.gz NIBBGGUCWYKCJF-HUUCEWRRSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419184350 484734509 /nfs/dbraw/zinc/73/45/09/484734509.db2.gz NIBBGGUCWYKCJF-LSDHHAIUSA-N 2 1 353.511 -0.143 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189315 484734491 /nfs/dbraw/zinc/73/44/91/484734491.db2.gz TZRGBCVIHDCFNX-HNNXBMFYSA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189316 484734115 /nfs/dbraw/zinc/73/41/15/484734115.db2.gz TZRGBCVIHDCFNX-OAHLLOKOSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189380 484734451 /nfs/dbraw/zinc/73/44/51/484734451.db2.gz UIEZLVKSUVGIES-KBPBESRZSA-N 2 1 369.510 -0.642 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189381 484733809 /nfs/dbraw/zinc/73/38/09/484733809.db2.gz UIEZLVKSUVGIES-KGLIPLIRSA-N 2 1 369.510 -0.642 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189382 484733777 /nfs/dbraw/zinc/73/37/77/484733777.db2.gz UIEZLVKSUVGIES-UONOGXRCSA-N 2 1 369.510 -0.642 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189383 484734639 /nfs/dbraw/zinc/73/46/39/484734639.db2.gz UIEZLVKSUVGIES-ZIAGYGMSSA-N 2 1 369.510 -0.642 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1(C)C ZINC000419190208 484733865 /nfs/dbraw/zinc/73/38/65/484733865.db2.gz UZJXMRNRJAHTLU-INIZCTEOSA-N 2 1 361.490 -0.055 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000419190209 484734305 /nfs/dbraw/zinc/73/43/05/484734305.db2.gz UZJXMRNRJAHTLU-MRXNPFEDSA-N 2 1 361.490 -0.055 20 0 FBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419191231 484733541 /nfs/dbraw/zinc/73/35/41/484733541.db2.gz WERHINYSLXUSMK-HNNXBMFYSA-N 2 1 355.527 -0.040 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419191232 484733582 /nfs/dbraw/zinc/73/35/82/484733582.db2.gz WERHINYSLXUSMK-OAHLLOKOSA-N 2 1 355.527 -0.040 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1(C)C ZINC000419193601 484733935 /nfs/dbraw/zinc/73/39/35/484733935.db2.gz ZKVRSVGEJXNACH-UHFFFAOYSA-N 2 1 353.511 -0.094 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193622 484734005 /nfs/dbraw/zinc/73/40/05/484734005.db2.gz ZNLQHVNCEDHEJF-CABCVRRESA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193623 484733623 /nfs/dbraw/zinc/73/36/23/484733623.db2.gz ZNLQHVNCEDHEJF-GJZGRUSLSA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193625 484733655 /nfs/dbraw/zinc/73/36/55/484733655.db2.gz ZNLQHVNCEDHEJF-HUUCEWRRSA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193627 484734607 /nfs/dbraw/zinc/73/46/07/484734607.db2.gz ZNLQHVNCEDHEJF-LSDHHAIUSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H]1C[NH3+] ZINC000419195095 484734347 /nfs/dbraw/zinc/73/43/47/484734347.db2.gz UKZSFMHJEFHDTB-GDBMZVCRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H]1C[NH3+] ZINC000419195097 484733979 /nfs/dbraw/zinc/73/39/79/484733979.db2.gz UKZSFMHJEFHDTB-GOEBONIOSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H]1C[NH3+] ZINC000419195099 484733955 /nfs/dbraw/zinc/73/39/55/484733955.db2.gz UKZSFMHJEFHDTB-HOCLYGCPSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H]1C[NH3+] ZINC000419195100 484734503 /nfs/dbraw/zinc/73/45/03/484734503.db2.gz UKZSFMHJEFHDTB-ZBFHGGJFSA-N 2 1 353.511 -0.286 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419208318 484730453 /nfs/dbraw/zinc/73/04/53/484730453.db2.gz OFBOOWPEBQXWTG-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419208319 484730574 /nfs/dbraw/zinc/73/05/74/484730574.db2.gz OFBOOWPEBQXWTG-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419208320 484730545 /nfs/dbraw/zinc/73/05/45/484730545.db2.gz OFBOOWPEBQXWTG-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419208321 484730983 /nfs/dbraw/zinc/73/09/83/484730983.db2.gz OFBOOWPEBQXWTG-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419212480 484730836 /nfs/dbraw/zinc/73/08/36/484730836.db2.gz KHNBREWKPZBCMP-UHFFFAOYSA-N 2 1 350.463 -0.077 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000419213886 484730742 /nfs/dbraw/zinc/73/07/42/484730742.db2.gz WYLZLYBYOGMJGX-DLBZAZTESA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000419213887 484730560 /nfs/dbraw/zinc/73/05/60/484730560.db2.gz WYLZLYBYOGMJGX-IAGOWNOFSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000419213888 484730727 /nfs/dbraw/zinc/73/07/27/484730727.db2.gz WYLZLYBYOGMJGX-IRXDYDNUSA-N 2 1 360.458 -0.047 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000419213889 484730416 /nfs/dbraw/zinc/73/04/16/484730416.db2.gz WYLZLYBYOGMJGX-SJORKVTESA-N 2 1 360.458 -0.047 20 0 FBADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000419214010 484731123 /nfs/dbraw/zinc/73/11/23/484731123.db2.gz LYQUODPTUZIHIO-UHFFFAOYSA-N 2 1 358.389 -0.047 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419214324 484730441 /nfs/dbraw/zinc/73/04/41/484730441.db2.gz XOALCKAVOPNXRZ-LLVKDONJSA-N 2 1 354.373 -0.437 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419214324 484730439 /nfs/dbraw/zinc/73/04/39/484730439.db2.gz XOALCKAVOPNXRZ-LLVKDONJSA-N 2 1 354.373 -0.437 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419214325 484730363 /nfs/dbraw/zinc/73/03/63/484730363.db2.gz XOALCKAVOPNXRZ-NSHDSACASA-N 2 1 354.373 -0.437 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419214325 484730357 /nfs/dbraw/zinc/73/03/57/484730357.db2.gz XOALCKAVOPNXRZ-NSHDSACASA-N 2 1 354.373 -0.437 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419215095 484730392 /nfs/dbraw/zinc/73/03/92/484730392.db2.gz YNNWJHIODXGISN-GOSISDBHSA-N 2 1 373.501 -0.211 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419215096 484730324 /nfs/dbraw/zinc/73/03/24/484730324.db2.gz YNNWJHIODXGISN-SFHVURJKSA-N 2 1 373.501 -0.211 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419217409 484732152 /nfs/dbraw/zinc/73/21/52/484732152.db2.gz DKHBGMXLOAYGGV-HNNXBMFYSA-N 2 1 365.478 -0.932 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419217410 484731825 /nfs/dbraw/zinc/73/18/25/484731825.db2.gz DKHBGMXLOAYGGV-OAHLLOKOSA-N 2 1 365.478 -0.932 20 0 FBADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000419219202 484732307 /nfs/dbraw/zinc/73/23/07/484732307.db2.gz TUZNBYJTRHXLRY-UHFFFAOYSA-N 2 1 358.389 -0.047 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419220991 484731961 /nfs/dbraw/zinc/73/19/61/484731961.db2.gz AKIDQHKSZCCQCF-INIZCTEOSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419220992 484732859 /nfs/dbraw/zinc/73/28/59/484732859.db2.gz AKIDQHKSZCCQCF-MRXNPFEDSA-N 2 1 351.495 -0.612 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000419223058 484732125 /nfs/dbraw/zinc/73/21/25/484732125.db2.gz CEDZQJXLVCWNIM-CVEARBPZSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000419223059 484733159 /nfs/dbraw/zinc/73/31/59/484733159.db2.gz CEDZQJXLVCWNIM-HOTGVXAUSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000419223060 484733039 /nfs/dbraw/zinc/73/30/39/484733039.db2.gz CEDZQJXLVCWNIM-HZPDHXFCSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000419223061 484732680 /nfs/dbraw/zinc/73/26/80/484732680.db2.gz CEDZQJXLVCWNIM-JKSUJKDBSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225195 484732201 /nfs/dbraw/zinc/73/22/01/484732201.db2.gz CEKYGBLAUONAAN-GXTWGEPZSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225195 484732194 /nfs/dbraw/zinc/73/21/94/484732194.db2.gz CEKYGBLAUONAAN-GXTWGEPZSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225198 484732057 /nfs/dbraw/zinc/73/20/57/484732057.db2.gz CEKYGBLAUONAAN-JSGCOSHPSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225198 484732056 /nfs/dbraw/zinc/73/20/56/484732056.db2.gz CEKYGBLAUONAAN-JSGCOSHPSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225202 484732243 /nfs/dbraw/zinc/73/22/43/484732243.db2.gz CEKYGBLAUONAAN-OCCSQVGLSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225202 484732236 /nfs/dbraw/zinc/73/22/36/484732236.db2.gz CEKYGBLAUONAAN-OCCSQVGLSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225205 484731852 /nfs/dbraw/zinc/73/18/52/484731852.db2.gz CEKYGBLAUONAAN-TZMCWYRMSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225205 484731847 /nfs/dbraw/zinc/73/18/47/484731847.db2.gz CEKYGBLAUONAAN-TZMCWYRMSA-N 2 1 366.487 -0.203 20 0 FBADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227505 484732587 /nfs/dbraw/zinc/73/25/87/484732587.db2.gz KOZDHXMHOIUNJM-DOTOQJQBSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227506 484732883 /nfs/dbraw/zinc/73/28/83/484732883.db2.gz KOZDHXMHOIUNJM-NVXWUHKLSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227507 484732096 /nfs/dbraw/zinc/73/20/96/484732096.db2.gz KOZDHXMHOIUNJM-RDJZCZTQSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227508 484731902 /nfs/dbraw/zinc/73/19/02/484731902.db2.gz KOZDHXMHOIUNJM-WBVHZDCISA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419229047 484732541 /nfs/dbraw/zinc/73/25/41/484732541.db2.gz HHUHJLCJAQPVEJ-PBHICJAKSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419229047 484732535 /nfs/dbraw/zinc/73/25/35/484732535.db2.gz HHUHJLCJAQPVEJ-PBHICJAKSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419229053 484732371 /nfs/dbraw/zinc/73/23/71/484732371.db2.gz HHUHJLCJAQPVEJ-RHSMWYFYSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419229053 484732365 /nfs/dbraw/zinc/73/23/65/484732365.db2.gz HHUHJLCJAQPVEJ-RHSMWYFYSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419229056 484731938 /nfs/dbraw/zinc/73/19/38/484731938.db2.gz HHUHJLCJAQPVEJ-WMLDXEAASA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419229056 484731934 /nfs/dbraw/zinc/73/19/34/484731934.db2.gz HHUHJLCJAQPVEJ-WMLDXEAASA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419229057 484732802 /nfs/dbraw/zinc/73/28/02/484732802.db2.gz HHUHJLCJAQPVEJ-YOEHRIQHSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419229057 484732795 /nfs/dbraw/zinc/73/27/95/484732795.db2.gz HHUHJLCJAQPVEJ-YOEHRIQHSA-N 2 1 360.458 -0.346 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419230838 484731741 /nfs/dbraw/zinc/73/17/41/484731741.db2.gz IYXVFCHFFSIRJZ-INIZCTEOSA-N 2 1 373.501 -0.429 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419230838 484731732 /nfs/dbraw/zinc/73/17/32/484731732.db2.gz IYXVFCHFFSIRJZ-INIZCTEOSA-N 2 1 373.501 -0.429 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419230839 484732023 /nfs/dbraw/zinc/73/20/23/484732023.db2.gz IYXVFCHFFSIRJZ-MRXNPFEDSA-N 2 1 373.501 -0.429 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419230839 484732016 /nfs/dbraw/zinc/73/20/16/484732016.db2.gz IYXVFCHFFSIRJZ-MRXNPFEDSA-N 2 1 373.501 -0.429 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419232091 484735541 /nfs/dbraw/zinc/73/55/41/484735541.db2.gz KIFWEYKMKCKWFD-PBHICJAKSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419232091 484735535 /nfs/dbraw/zinc/73/55/35/484735535.db2.gz KIFWEYKMKCKWFD-PBHICJAKSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419232092 484735376 /nfs/dbraw/zinc/73/53/76/484735376.db2.gz KIFWEYKMKCKWFD-RHSMWYFYSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419232092 484735372 /nfs/dbraw/zinc/73/53/72/484735372.db2.gz KIFWEYKMKCKWFD-RHSMWYFYSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419232093 484736320 /nfs/dbraw/zinc/73/63/20/484736320.db2.gz KIFWEYKMKCKWFD-WMLDXEAASA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419232093 484736317 /nfs/dbraw/zinc/73/63/17/484736317.db2.gz KIFWEYKMKCKWFD-WMLDXEAASA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419232094 484735561 /nfs/dbraw/zinc/73/55/61/484735561.db2.gz KIFWEYKMKCKWFD-YOEHRIQHSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419232094 484735556 /nfs/dbraw/zinc/73/55/56/484735556.db2.gz KIFWEYKMKCKWFD-YOEHRIQHSA-N 2 1 360.458 -0.265 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419235771 484735426 /nfs/dbraw/zinc/73/54/26/484735426.db2.gz ZNBFYQAOGWKFQK-CVEARBPZSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419235773 484736344 /nfs/dbraw/zinc/73/63/44/484736344.db2.gz ZNBFYQAOGWKFQK-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419235775 484735407 /nfs/dbraw/zinc/73/54/07/484735407.db2.gz ZNBFYQAOGWKFQK-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419235778 484735094 /nfs/dbraw/zinc/73/50/94/484735094.db2.gz ZNBFYQAOGWKFQK-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419237816 484736174 /nfs/dbraw/zinc/73/61/74/484736174.db2.gz OWXLDJQRGUUSMP-HNNXBMFYSA-N 2 1 362.474 -0.098 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419237816 484736168 /nfs/dbraw/zinc/73/61/68/484736168.db2.gz OWXLDJQRGUUSMP-HNNXBMFYSA-N 2 1 362.474 -0.098 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419237817 484735926 /nfs/dbraw/zinc/73/59/26/484735926.db2.gz OWXLDJQRGUUSMP-OAHLLOKOSA-N 2 1 362.474 -0.098 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419237817 484735921 /nfs/dbraw/zinc/73/59/21/484735921.db2.gz OWXLDJQRGUUSMP-OAHLLOKOSA-N 2 1 362.474 -0.098 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419239201 484735488 /nfs/dbraw/zinc/73/54/88/484735488.db2.gz QITDBGWTHAQULT-CYBMUJFWSA-N 2 1 368.503 -0.037 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419239201 484735481 /nfs/dbraw/zinc/73/54/81/484735481.db2.gz QITDBGWTHAQULT-CYBMUJFWSA-N 2 1 368.503 -0.037 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419239202 484736301 /nfs/dbraw/zinc/73/63/01/484736301.db2.gz QITDBGWTHAQULT-ZDUSSCGKSA-N 2 1 368.503 -0.037 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419239202 484736298 /nfs/dbraw/zinc/73/62/98/484736298.db2.gz QITDBGWTHAQULT-ZDUSSCGKSA-N 2 1 368.503 -0.037 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1CCc2sccc2C1 ZINC000419242454 484735517 /nfs/dbraw/zinc/73/55/17/484735517.db2.gz SQMJZCBNUDFZJQ-GFCCVEGCSA-N 2 1 354.476 -0.610 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1CCc2sccc2C1 ZINC000419242454 484735511 /nfs/dbraw/zinc/73/55/11/484735511.db2.gz SQMJZCBNUDFZJQ-GFCCVEGCSA-N 2 1 354.476 -0.610 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1CCc2sccc2C1 ZINC000419242457 484735790 /nfs/dbraw/zinc/73/57/90/484735790.db2.gz SQMJZCBNUDFZJQ-LBPRGKRZSA-N 2 1 354.476 -0.610 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1CCc2sccc2C1 ZINC000419242457 484735783 /nfs/dbraw/zinc/73/57/83/484735783.db2.gz SQMJZCBNUDFZJQ-LBPRGKRZSA-N 2 1 354.476 -0.610 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000419244240 484736502 /nfs/dbraw/zinc/73/65/02/484736502.db2.gz UIIMHODLOADZKL-AWEZNQCLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000419244241 484735066 /nfs/dbraw/zinc/73/50/66/484735066.db2.gz UIIMHODLOADZKL-CQSZACIVSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419265108 484734399 /nfs/dbraw/zinc/73/43/99/484734399.db2.gz DAESCKLXUMAMDB-KRWDZBQOSA-N 2 1 360.458 -0.045 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419265109 484733732 /nfs/dbraw/zinc/73/37/32/484733732.db2.gz DAESCKLXUMAMDB-QGZVFWFLSA-N 2 1 360.458 -0.045 20 0 FBADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419266636 484734139 /nfs/dbraw/zinc/73/41/39/484734139.db2.gz HHBXBACYDSWUNO-MSOLQXFVSA-N 2 1 372.469 -0.045 20 0 FBADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419271467 484736372 /nfs/dbraw/zinc/73/63/72/484736372.db2.gz SVXAFZNKRPHDFZ-HDICACEKSA-N 2 1 372.469 -0.187 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000419275491 484735340 /nfs/dbraw/zinc/73/53/40/484735340.db2.gz YUDQHTCKYDVJQJ-RHSMWYFYSA-N 2 1 360.458 -0.059 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419279857 484741823 /nfs/dbraw/zinc/74/18/23/484741823.db2.gz DKMOEIRCNHNIGV-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419279857 484741817 /nfs/dbraw/zinc/74/18/17/484741817.db2.gz DKMOEIRCNHNIGV-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419279858 484742363 /nfs/dbraw/zinc/74/23/63/484742363.db2.gz DKMOEIRCNHNIGV-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419279858 484742359 /nfs/dbraw/zinc/74/23/59/484742359.db2.gz DKMOEIRCNHNIGV-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419284592 484742041 /nfs/dbraw/zinc/74/20/41/484742041.db2.gz LQOJMZRMTJKCPC-AWEZNQCLSA-N 2 1 355.483 -0.852 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419284593 484742729 /nfs/dbraw/zinc/74/27/29/484742729.db2.gz LQOJMZRMTJKCPC-CQSZACIVSA-N 2 1 355.483 -0.852 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C[NH+]1CCOCC1 ZINC000419299687 484739601 /nfs/dbraw/zinc/73/96/01/484739601.db2.gz KJMUPVMXTHHRPG-FXUDXRNXSA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C[NH+]1CCOCC1 ZINC000419299688 484738846 /nfs/dbraw/zinc/73/88/46/484738846.db2.gz KJMUPVMXTHHRPG-QKPAOTATSA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C[NH+]1CCOCC1 ZINC000419299689 484739125 /nfs/dbraw/zinc/73/91/25/484739125.db2.gz KJMUPVMXTHHRPG-QXSJWSMHSA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C[NH+]1CCOCC1 ZINC000419299690 484739398 /nfs/dbraw/zinc/73/93/98/484739398.db2.gz KJMUPVMXTHHRPG-UGUYLWEFSA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000419302212 484738989 /nfs/dbraw/zinc/73/89/89/484738989.db2.gz PJQAGLQEBFSPND-CABCVRRESA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000419302213 484738678 /nfs/dbraw/zinc/73/86/78/484738678.db2.gz PJQAGLQEBFSPND-GJZGRUSLSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000419302214 484738857 /nfs/dbraw/zinc/73/88/57/484738857.db2.gz PJQAGLQEBFSPND-HUUCEWRRSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000419302215 484739262 /nfs/dbraw/zinc/73/92/62/484739262.db2.gz PJQAGLQEBFSPND-LSDHHAIUSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+]1CCOCC1 ZINC000419303993 484739573 /nfs/dbraw/zinc/73/95/73/484739573.db2.gz TUCRWMCVBPHABD-HZSPNIEDSA-N 2 1 356.467 -0.700 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+]1CCOCC1 ZINC000419303996 484738799 /nfs/dbraw/zinc/73/87/99/484738799.db2.gz TUCRWMCVBPHABD-MCIONIFRSA-N 2 1 356.467 -0.700 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+]1CCOCC1 ZINC000419303997 484740890 /nfs/dbraw/zinc/74/08/90/484740890.db2.gz TUCRWMCVBPHABD-MGPQQGTHSA-N 2 1 356.467 -0.700 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+]1CCOCC1 ZINC000419303999 484740131 /nfs/dbraw/zinc/74/01/31/484740131.db2.gz TUCRWMCVBPHABD-RDBSUJKOSA-N 2 1 356.467 -0.700 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419325237 484742558 /nfs/dbraw/zinc/74/25/58/484742558.db2.gz AXLHXOCMTDBHAS-UHFFFAOYSA-N 2 1 361.490 -0.095 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419325806 484742591 /nfs/dbraw/zinc/74/25/91/484742591.db2.gz BOZDAFMDUVDCAV-UHFFFAOYSA-N 2 1 361.490 -0.224 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000419329968 484742270 /nfs/dbraw/zinc/74/22/70/484742270.db2.gz FPEIHSVPKHWKDI-GOSISDBHSA-N 2 1 373.501 0.000 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000419329969 484741606 /nfs/dbraw/zinc/74/16/06/484741606.db2.gz FPEIHSVPKHWKDI-SFHVURJKSA-N 2 1 373.501 0.000 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419333817 484741916 /nfs/dbraw/zinc/74/19/16/484741916.db2.gz IODYTDSLEHRMFA-GOSISDBHSA-N 2 1 373.501 0.000 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419333818 484741734 /nfs/dbraw/zinc/74/17/34/484741734.db2.gz IODYTDSLEHRMFA-SFHVURJKSA-N 2 1 373.501 0.000 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419333833 484742089 /nfs/dbraw/zinc/74/20/89/484742089.db2.gz IQDCREWGKOEANR-UHFFFAOYSA-N 2 1 361.490 -0.143 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2)CC1 ZINC000419335138 484742333 /nfs/dbraw/zinc/74/23/33/484742333.db2.gz JLADJDATNPNOPI-UHFFFAOYSA-N 2 1 361.490 -0.095 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000419336236 484742234 /nfs/dbraw/zinc/74/22/34/484742234.db2.gz XCLXMVCDLZGSSI-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000419336236 484742229 /nfs/dbraw/zinc/74/22/29/484742229.db2.gz XCLXMVCDLZGSSI-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419336236 484742223 /nfs/dbraw/zinc/74/22/23/484742223.db2.gz XCLXMVCDLZGSSI-FGTMMUONSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000419336240 484741384 /nfs/dbraw/zinc/74/13/84/484741384.db2.gz XCLXMVCDLZGSSI-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000419336240 484741378 /nfs/dbraw/zinc/74/13/78/484741378.db2.gz XCLXMVCDLZGSSI-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419336240 484741374 /nfs/dbraw/zinc/74/13/74/484741374.db2.gz XCLXMVCDLZGSSI-KZNAEPCWSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000419336242 484741423 /nfs/dbraw/zinc/74/14/23/484741423.db2.gz XCLXMVCDLZGSSI-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000419336242 484741418 /nfs/dbraw/zinc/74/14/18/484741418.db2.gz XCLXMVCDLZGSSI-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419336242 484741412 /nfs/dbraw/zinc/74/14/12/484741412.db2.gz XCLXMVCDLZGSSI-OKZBNKHCSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000419336244 484742159 /nfs/dbraw/zinc/74/21/59/484742159.db2.gz XCLXMVCDLZGSSI-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000419336244 484742154 /nfs/dbraw/zinc/74/21/54/484742154.db2.gz XCLXMVCDLZGSSI-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419336244 484742148 /nfs/dbraw/zinc/74/21/48/484742148.db2.gz XCLXMVCDLZGSSI-RCCFBDPRSA-N 2 1 370.538 -0.154 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419336369 484742412 /nfs/dbraw/zinc/74/24/12/484742412.db2.gz AJPACQZBHAUXEO-AWEZNQCLSA-N 2 1 367.494 -0.839 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419336370 484742675 /nfs/dbraw/zinc/74/26/75/484742675.db2.gz AJPACQZBHAUXEO-CQSZACIVSA-N 2 1 367.494 -0.839 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419336467 484742693 /nfs/dbraw/zinc/74/26/93/484742693.db2.gz KLRJZDDCKWJJCB-HNNXBMFYSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419336468 484741471 /nfs/dbraw/zinc/74/14/71/484741471.db2.gz KLRJZDDCKWJJCB-OAHLLOKOSA-N 2 1 361.490 -0.096 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419337202 484742433 /nfs/dbraw/zinc/74/24/33/484742433.db2.gz AYYPOKDSXSAVDG-UHFFFAOYSA-N 2 1 367.494 -0.565 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419341972 484743480 /nfs/dbraw/zinc/74/34/80/484743480.db2.gz BJJCOWMRRHCLME-CYBMUJFWSA-N 2 1 355.483 -0.676 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419341973 484743775 /nfs/dbraw/zinc/74/37/75/484743775.db2.gz BJJCOWMRRHCLME-ZDUSSCGKSA-N 2 1 355.483 -0.676 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000419342653 484744563 /nfs/dbraw/zinc/74/45/63/484744563.db2.gz PQXFPJPBIVWESP-HNNXBMFYSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000419342654 484744717 /nfs/dbraw/zinc/74/47/17/484744717.db2.gz PQXFPJPBIVWESP-OAHLLOKOSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342967 484744855 /nfs/dbraw/zinc/74/48/55/484744855.db2.gz QEVBVHVPEABOMQ-GOSISDBHSA-N 2 1 373.501 -0.082 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342968 484743790 /nfs/dbraw/zinc/74/37/90/484743790.db2.gz QEVBVHVPEABOMQ-SFHVURJKSA-N 2 1 373.501 -0.082 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419343051 484743654 /nfs/dbraw/zinc/74/36/54/484743654.db2.gz DUZKKFSGZXVVEB-KFWWJZLASA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419343053 484744501 /nfs/dbraw/zinc/74/45/01/484744501.db2.gz DUZKKFSGZXVVEB-SOUVJXGZSA-N 2 1 365.478 -0.957 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343930 484743610 /nfs/dbraw/zinc/74/36/10/484743610.db2.gz HGAPYWWZYVXALP-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343931 484743493 /nfs/dbraw/zinc/74/34/93/484743493.db2.gz HGAPYWWZYVXALP-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343932 484744343 /nfs/dbraw/zinc/74/43/43/484744343.db2.gz HGAPYWWZYVXALP-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343933 484744096 /nfs/dbraw/zinc/74/40/96/484744096.db2.gz HGAPYWWZYVXALP-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344468 484743735 /nfs/dbraw/zinc/74/37/35/484743735.db2.gz ICKUIFFKCFUFOF-KKUMJFAQSA-N 2 1 367.494 -0.582 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344469 484744481 /nfs/dbraw/zinc/74/44/81/484744481.db2.gz ICKUIFFKCFUFOF-RRFJBIMHSA-N 2 1 367.494 -0.582 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344470 484744065 /nfs/dbraw/zinc/74/40/65/484744065.db2.gz ICKUIFFKCFUFOF-SOUVJXGZSA-N 2 1 367.494 -0.582 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344471 484743634 /nfs/dbraw/zinc/74/36/34/484743634.db2.gz ICKUIFFKCFUFOF-ZNMIVQPWSA-N 2 1 367.494 -0.582 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344979 484744285 /nfs/dbraw/zinc/74/42/85/484744285.db2.gz JMMZBXKJWPKFES-KBPBESRZSA-N 2 1 355.483 -0.820 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344980 484743957 /nfs/dbraw/zinc/74/39/57/484743957.db2.gz JMMZBXKJWPKFES-KGLIPLIRSA-N 2 1 355.483 -0.820 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344981 484744418 /nfs/dbraw/zinc/74/44/18/484744418.db2.gz JMMZBXKJWPKFES-UONOGXRCSA-N 2 1 355.483 -0.820 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344982 484743923 /nfs/dbraw/zinc/74/39/23/484743923.db2.gz JMMZBXKJWPKFES-ZIAGYGMSSA-N 2 1 355.483 -0.820 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H]1C[NH3+] ZINC000419345506 484743826 /nfs/dbraw/zinc/74/38/26/484743826.db2.gz LFGRGJMWUFGEAF-ILXRZTDVSA-N 2 1 367.494 -0.724 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1C[NH3+] ZINC000419345507 484743849 /nfs/dbraw/zinc/74/38/49/484743849.db2.gz LFGRGJMWUFGEAF-KFWWJZLASA-N 2 1 367.494 -0.724 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1C[NH3+] ZINC000419345508 484744446 /nfs/dbraw/zinc/74/44/46/484744446.db2.gz LFGRGJMWUFGEAF-QLFBSQMISA-N 2 1 367.494 -0.724 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1C[NH3+] ZINC000419345509 484744077 /nfs/dbraw/zinc/74/40/77/484744077.db2.gz LFGRGJMWUFGEAF-RBSFLKMASA-N 2 1 367.494 -0.724 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419345697 484744648 /nfs/dbraw/zinc/74/46/48/484744648.db2.gz LROJQJCJRCYRIE-AWEZNQCLSA-N 2 1 367.494 -0.532 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419345698 484743746 /nfs/dbraw/zinc/74/37/46/484743746.db2.gz LROJQJCJRCYRIE-CQSZACIVSA-N 2 1 367.494 -0.532 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000419346091 484743698 /nfs/dbraw/zinc/74/36/98/484743698.db2.gz UVDVNGVLXMYQNO-UHFFFAOYSA-N 2 1 361.490 -0.143 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419348523 484743815 /nfs/dbraw/zinc/74/38/15/484743815.db2.gz BGYRUDBDWRWULS-INIZCTEOSA-N 2 1 374.489 -0.470 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419348524 484744696 /nfs/dbraw/zinc/74/46/96/484744696.db2.gz BGYRUDBDWRWULS-MRXNPFEDSA-N 2 1 374.489 -0.470 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419348660 484745328 /nfs/dbraw/zinc/74/53/28/484745328.db2.gz XVZCENSGYGMTPN-GOSISDBHSA-N 2 1 373.501 -0.082 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419348661 484746398 /nfs/dbraw/zinc/74/63/98/484746398.db2.gz XVZCENSGYGMTPN-SFHVURJKSA-N 2 1 373.501 -0.082 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000419348896 484745849 /nfs/dbraw/zinc/74/58/49/484745849.db2.gz CGBYHBKPWUOSSA-UHFFFAOYSA-N 2 1 374.489 -0.293 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419349336 484746456 /nfs/dbraw/zinc/74/64/56/484746456.db2.gz DDJIGCRPZXBCTF-UHFFFAOYSA-N 2 1 366.506 -0.049 20 0 FBADMP CC(C)([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419349844 484746571 /nfs/dbraw/zinc/74/65/71/484746571.db2.gz DTFKXGGUOIYSNA-UHFFFAOYSA-N 2 1 362.478 -0.437 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H]1[NH3+] ZINC000419349883 484746058 /nfs/dbraw/zinc/74/60/58/484746058.db2.gz DXLCMYWYRAAYPP-NVXWUHKLSA-N 2 1 374.489 -0.485 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC[NH2+]C)cc2)CC1 ZINC000419350124 484746474 /nfs/dbraw/zinc/74/64/74/484746474.db2.gz ZBYXJVCHUOYKSX-UHFFFAOYSA-N 2 1 361.490 -0.224 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350951 483676161 /nfs/dbraw/zinc/67/61/61/483676161.db2.gz GOEICMUUMCJSJD-UHFFFAOYSA-N 2 1 362.478 -0.612 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419351232 484745665 /nfs/dbraw/zinc/74/56/65/484745665.db2.gz GUDWPLMWALEULE-KRWDZBQOSA-N 2 1 374.489 -0.437 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419351233 484745786 /nfs/dbraw/zinc/74/57/86/484745786.db2.gz GUDWPLMWALEULE-QGZVFWFLSA-N 2 1 374.489 -0.437 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419351242 484746184 /nfs/dbraw/zinc/74/61/84/484746184.db2.gz GWJHJCSORODAQN-UHFFFAOYSA-N 2 1 362.478 -0.564 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419351520 484746230 /nfs/dbraw/zinc/74/62/30/484746230.db2.gz HHWQDAIQTALZFD-HNNXBMFYSA-N 2 1 362.478 -0.437 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419351521 484746099 /nfs/dbraw/zinc/74/60/99/484746099.db2.gz HHWQDAIQTALZFD-OAHLLOKOSA-N 2 1 362.478 -0.437 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419352592 484745681 /nfs/dbraw/zinc/74/56/81/484745681.db2.gz ZTOWGXNQOUXLKL-CABCVRRESA-N 2 1 367.494 -0.676 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419352593 484745955 /nfs/dbraw/zinc/74/59/55/484745955.db2.gz ZTOWGXNQOUXLKL-GJZGRUSLSA-N 2 1 367.494 -0.676 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419352596 484745543 /nfs/dbraw/zinc/74/55/43/484745543.db2.gz ZTOWGXNQOUXLKL-HUUCEWRRSA-N 2 1 367.494 -0.676 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419352599 484745258 /nfs/dbraw/zinc/74/52/58/484745258.db2.gz ZTOWGXNQOUXLKL-LSDHHAIUSA-N 2 1 367.494 -0.676 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419353540 484746274 /nfs/dbraw/zinc/74/62/74/484746274.db2.gz JUSUJWZJOBCPRA-HNNXBMFYSA-N 2 1 362.478 -0.485 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419353541 484745995 /nfs/dbraw/zinc/74/59/95/484745995.db2.gz JUSUJWZJOBCPRA-OAHLLOKOSA-N 2 1 362.478 -0.485 20 0 FBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419353770 484746329 /nfs/dbraw/zinc/74/63/29/484746329.db2.gz KEYXSBPXRKEAFC-QGZVFWFLSA-N 2 1 374.489 -0.340 20 0 FBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419354055 484745229 /nfs/dbraw/zinc/74/52/29/484745229.db2.gz KILQGZWSYOVGLV-INIZCTEOSA-N 2 1 374.489 -0.340 20 0 FBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419354056 484745421 /nfs/dbraw/zinc/74/54/21/484745421.db2.gz KILQGZWSYOVGLV-MRXNPFEDSA-N 2 1 374.489 -0.340 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419354974 484746006 /nfs/dbraw/zinc/74/60/06/484746006.db2.gz LPUUGIXSDOGPNM-INIZCTEOSA-N 2 1 374.489 -0.422 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419354975 484746684 /nfs/dbraw/zinc/74/66/84/484746684.db2.gz LPUUGIXSDOGPNM-MRXNPFEDSA-N 2 1 374.489 -0.422 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419355901 484745763 /nfs/dbraw/zinc/74/57/63/484745763.db2.gz MNYAKWYPCUXXJN-UHFFFAOYSA-N 2 1 362.478 -0.564 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419357300 484745928 /nfs/dbraw/zinc/74/59/28/484745928.db2.gz NZUWAYHPEVFAMA-INIZCTEOSA-N 2 1 374.489 -0.422 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419357302 484746716 /nfs/dbraw/zinc/74/67/16/484746716.db2.gz NZUWAYHPEVFAMA-MRXNPFEDSA-N 2 1 374.489 -0.422 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419359326 484747618 /nfs/dbraw/zinc/74/76/18/484747618.db2.gz QIHLQYRKNGQVSX-HNNXBMFYSA-N 2 1 362.478 -0.579 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419359328 484747339 /nfs/dbraw/zinc/74/73/39/484747339.db2.gz QIHLQYRKNGQVSX-OAHLLOKOSA-N 2 1 362.478 -0.579 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419364376 484748408 /nfs/dbraw/zinc/74/84/08/484748408.db2.gz WIDSCUJSDUKDND-UHFFFAOYSA-N 2 1 374.489 -0.468 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419364816 484747854 /nfs/dbraw/zinc/74/78/54/484747854.db2.gz WYRZWSPZZYUYIE-JKSUJKDBSA-N 2 1 366.437 -0.227 20 0 FBADMP [NH3+][C@@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419365400 484748034 /nfs/dbraw/zinc/74/80/34/484748034.db2.gz XKLOSVZLOCUAQV-KRWDZBQOSA-N 2 1 374.489 -0.437 20 0 FBADMP [NH3+][C@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419365410 484748451 /nfs/dbraw/zinc/74/84/51/484748451.db2.gz XKLOSVZLOCUAQV-QGZVFWFLSA-N 2 1 374.489 -0.437 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419366552 484748168 /nfs/dbraw/zinc/74/81/68/484748168.db2.gz ZEUQJNDPTNUFLH-GOEBONIOSA-N 2 1 366.437 -0.227 20 0 FBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369859 484748486 /nfs/dbraw/zinc/74/84/86/484748486.db2.gz IOKGZVAVOPSBHT-AWEZNQCLSA-N 2 1 355.483 -0.902 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369860 484748321 /nfs/dbraw/zinc/74/83/21/484748321.db2.gz IOKGZVAVOPSBHT-CQSZACIVSA-N 2 1 355.483 -0.902 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419370506 484748191 /nfs/dbraw/zinc/74/81/91/484748191.db2.gz JSKCLRHVGDPNCS-HNNXBMFYSA-N 2 1 367.494 -0.710 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419370507 484747815 /nfs/dbraw/zinc/74/78/15/484747815.db2.gz JSKCLRHVGDPNCS-OAHLLOKOSA-N 2 1 367.494 -0.710 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419370522 484747700 /nfs/dbraw/zinc/74/77/00/484747700.db2.gz JURGWGYOIHESPP-UHFFFAOYSA-N 2 1 353.467 -0.956 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419374082 484747832 /nfs/dbraw/zinc/74/78/32/484747832.db2.gz PGSOWDJSLPZYII-HNNXBMFYSA-N 2 1 361.446 -0.917 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419374087 484747591 /nfs/dbraw/zinc/74/75/91/484747591.db2.gz PGSOWDJSLPZYII-OAHLLOKOSA-N 2 1 361.446 -0.917 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])Cc2ccccc2C1 ZINC000419383334 484751530 /nfs/dbraw/zinc/75/15/30/484751530.db2.gz ZZPBTJPEUAYJLJ-UHFFFAOYSA-N 2 1 354.401 -0.088 20 0 FBADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419392842 484749078 /nfs/dbraw/zinc/74/90/78/484749078.db2.gz LXCDXPUETKGPPQ-KRWDZBQOSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419392842 484749074 /nfs/dbraw/zinc/74/90/74/484749074.db2.gz LXCDXPUETKGPPQ-KRWDZBQOSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419392844 484750215 /nfs/dbraw/zinc/75/02/15/484750215.db2.gz LXCDXPUETKGPPQ-QGZVFWFLSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419392844 484750210 /nfs/dbraw/zinc/75/02/10/484750210.db2.gz LXCDXPUETKGPPQ-QGZVFWFLSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419394967 484749763 /nfs/dbraw/zinc/74/97/63/484749763.db2.gz QCCSXRCODFXCGO-UHFFFAOYSA-N 2 1 359.474 -0.818 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419394967 484749760 /nfs/dbraw/zinc/74/97/60/484749760.db2.gz QCCSXRCODFXCGO-UHFFFAOYSA-N 2 1 359.474 -0.818 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCCO1 ZINC000419394994 484749517 /nfs/dbraw/zinc/74/95/17/484749517.db2.gz QFNZWBGIWALCHD-KRWDZBQOSA-N 2 1 360.458 -0.263 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCO1 ZINC000419394994 484749511 /nfs/dbraw/zinc/74/95/11/484749511.db2.gz QFNZWBGIWALCHD-KRWDZBQOSA-N 2 1 360.458 -0.263 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCCO1 ZINC000419394995 484750246 /nfs/dbraw/zinc/75/02/46/484750246.db2.gz QFNZWBGIWALCHD-QGZVFWFLSA-N 2 1 360.458 -0.263 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCO1 ZINC000419394995 484750238 /nfs/dbraw/zinc/75/02/38/484750238.db2.gz QFNZWBGIWALCHD-QGZVFWFLSA-N 2 1 360.458 -0.263 20 0 FBADMP CC(C)(CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1CCc2ccccc2C1 ZINC000419399354 484749981 /nfs/dbraw/zinc/74/99/81/484749981.db2.gz YWFZYEGEKINKMJ-UHFFFAOYSA-N 2 1 362.474 -0.281 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419401436 484749889 /nfs/dbraw/zinc/74/98/89/484749889.db2.gz BCRZWJFDYBEWAZ-AWEZNQCLSA-N 2 1 353.492 -0.512 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419401437 484750197 /nfs/dbraw/zinc/75/01/97/484750197.db2.gz BCRZWJFDYBEWAZ-CQSZACIVSA-N 2 1 353.492 -0.512 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402642 484750119 /nfs/dbraw/zinc/75/01/19/484750119.db2.gz CQXRUJRRJWJUKY-CABCVRRESA-N 2 1 367.494 -0.852 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402643 484749900 /nfs/dbraw/zinc/74/99/00/484749900.db2.gz CQXRUJRRJWJUKY-GJZGRUSLSA-N 2 1 367.494 -0.852 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402644 484749796 /nfs/dbraw/zinc/74/97/96/484749796.db2.gz CQXRUJRRJWJUKY-HUUCEWRRSA-N 2 1 367.494 -0.852 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402645 484749926 /nfs/dbraw/zinc/74/99/26/484749926.db2.gz CQXRUJRRJWJUKY-LSDHHAIUSA-N 2 1 367.494 -0.852 20 0 FBADMP C[N@@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000419403459 484749964 /nfs/dbraw/zinc/74/99/64/484749964.db2.gz DVSNBKZAWHYTKZ-UHFFFAOYSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403517 484749462 /nfs/dbraw/zinc/74/94/62/484749462.db2.gz RQPNHNHJZQMZMX-DOTOQJQBSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403518 484749274 /nfs/dbraw/zinc/74/92/74/484749274.db2.gz RQPNHNHJZQMZMX-NVXWUHKLSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403519 484749484 /nfs/dbraw/zinc/74/94/84/484749484.db2.gz RQPNHNHJZQMZMX-RDJZCZTQSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403520 484750058 /nfs/dbraw/zinc/75/00/58/484750058.db2.gz RQPNHNHJZQMZMX-WBVHZDCISA-N 2 1 362.474 -0.207 20 0 FBADMP CC[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1CCc2ccccc2C1 ZINC000419403683 484749939 /nfs/dbraw/zinc/74/99/39/484749939.db2.gz DSQIEDUGCVDMFI-KRWDZBQOSA-N 2 1 362.474 -0.281 20 0 FBADMP CC[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1CCc2ccccc2C1 ZINC000419403684 484749708 /nfs/dbraw/zinc/74/97/08/484749708.db2.gz DSQIEDUGCVDMFI-QGZVFWFLSA-N 2 1 362.474 -0.281 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000419411954 484751109 /nfs/dbraw/zinc/75/11/09/484751109.db2.gz CEGHXBPXCVDLAC-KRWDZBQOSA-N 2 1 360.458 -0.263 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000419411958 484750814 /nfs/dbraw/zinc/75/08/14/484750814.db2.gz CEGHXBPXCVDLAC-QGZVFWFLSA-N 2 1 360.458 -0.263 20 0 FBADMP [NH3+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419411992 484751819 /nfs/dbraw/zinc/75/18/19/484751819.db2.gz CKTMLUGAYBACBW-UHFFFAOYSA-N 2 1 361.490 -0.225 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413869 484751040 /nfs/dbraw/zinc/75/10/40/484751040.db2.gz GBQFZDARGVRIFN-MSOLQXFVSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413869 484751034 /nfs/dbraw/zinc/75/10/34/484751034.db2.gz GBQFZDARGVRIFN-MSOLQXFVSA-N 2 1 373.501 -0.041 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413869 484751029 /nfs/dbraw/zinc/75/10/29/484751029.db2.gz GBQFZDARGVRIFN-MSOLQXFVSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413871 484751636 /nfs/dbraw/zinc/75/16/36/484751636.db2.gz GBQFZDARGVRIFN-QZTJIDSGSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413871 484751633 /nfs/dbraw/zinc/75/16/33/484751633.db2.gz GBQFZDARGVRIFN-QZTJIDSGSA-N 2 1 373.501 -0.041 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413871 484751628 /nfs/dbraw/zinc/75/16/28/484751628.db2.gz GBQFZDARGVRIFN-QZTJIDSGSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413872 484751853 /nfs/dbraw/zinc/75/18/53/484751853.db2.gz GBQFZDARGVRIFN-ROUUACIJSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413872 484751849 /nfs/dbraw/zinc/75/18/49/484751849.db2.gz GBQFZDARGVRIFN-ROUUACIJSA-N 2 1 373.501 -0.041 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413872 484751845 /nfs/dbraw/zinc/75/18/45/484751845.db2.gz GBQFZDARGVRIFN-ROUUACIJSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413873 484751415 /nfs/dbraw/zinc/75/14/15/484751415.db2.gz GBQFZDARGVRIFN-ZWKOTPCHSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413873 484751412 /nfs/dbraw/zinc/75/14/12/484751412.db2.gz GBQFZDARGVRIFN-ZWKOTPCHSA-N 2 1 373.501 -0.041 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413873 484751407 /nfs/dbraw/zinc/75/14/07/484751407.db2.gz GBQFZDARGVRIFN-ZWKOTPCHSA-N 2 1 373.501 -0.041 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419414317 484751555 /nfs/dbraw/zinc/75/15/55/484751555.db2.gz GROASRXQLXUKLT-INIZCTEOSA-N 2 1 361.490 -0.226 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419414319 484751725 /nfs/dbraw/zinc/75/17/25/484751725.db2.gz GROASRXQLXUKLT-MRXNPFEDSA-N 2 1 361.490 -0.226 20 0 FBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419416342 484751484 /nfs/dbraw/zinc/75/14/84/484751484.db2.gz IZXLYWFRQIJDFS-GOSISDBHSA-N 2 1 373.501 -0.130 20 0 FBADMP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419416344 484751252 /nfs/dbraw/zinc/75/12/52/484751252.db2.gz IZXLYWFRQIJDFS-SFHVURJKSA-N 2 1 373.501 -0.130 20 0 FBADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419418552 484751649 /nfs/dbraw/zinc/75/16/49/484751649.db2.gz LHNNAJYOVNMVDT-GOSISDBHSA-N 2 1 373.501 -0.211 20 0 FBADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419418553 484751681 /nfs/dbraw/zinc/75/16/81/484751681.db2.gz LHNNAJYOVNMVDT-SFHVURJKSA-N 2 1 373.501 -0.211 20 0 FBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419418600 484750873 /nfs/dbraw/zinc/75/08/73/484750873.db2.gz ILSHLWLHJUUROD-UHFFFAOYSA-N 2 1 373.501 -0.428 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419421321 484752684 /nfs/dbraw/zinc/75/26/84/484752684.db2.gz OUOJGOGFJQXUBZ-KRWDZBQOSA-N 2 1 361.490 -0.183 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419421321 484752681 /nfs/dbraw/zinc/75/26/81/484752681.db2.gz OUOJGOGFJQXUBZ-KRWDZBQOSA-N 2 1 361.490 -0.183 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419421321 484752675 /nfs/dbraw/zinc/75/26/75/484752675.db2.gz OUOJGOGFJQXUBZ-KRWDZBQOSA-N 2 1 361.490 -0.183 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419421324 484753299 /nfs/dbraw/zinc/75/32/99/484753299.db2.gz OUOJGOGFJQXUBZ-QGZVFWFLSA-N 2 1 361.490 -0.183 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419421324 484753296 /nfs/dbraw/zinc/75/32/96/484753296.db2.gz OUOJGOGFJQXUBZ-QGZVFWFLSA-N 2 1 361.490 -0.183 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421324 484753291 /nfs/dbraw/zinc/75/32/91/484753291.db2.gz OUOJGOGFJQXUBZ-QGZVFWFLSA-N 2 1 361.490 -0.183 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419422127 484752976 /nfs/dbraw/zinc/75/29/76/484752976.db2.gz LWWYOBWOYHXZGM-IYBDPMFKSA-N 2 1 353.511 -0.508 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419423873 484753863 /nfs/dbraw/zinc/75/38/63/484753863.db2.gz SJSMFKBWLFJQKD-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419423873 484753860 /nfs/dbraw/zinc/75/38/60/484753860.db2.gz SJSMFKBWLFJQKD-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423873 484753854 /nfs/dbraw/zinc/75/38/54/484753854.db2.gz SJSMFKBWLFJQKD-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419423876 484753670 /nfs/dbraw/zinc/75/36/70/484753670.db2.gz SJSMFKBWLFJQKD-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419423876 484753665 /nfs/dbraw/zinc/75/36/65/484753665.db2.gz SJSMFKBWLFJQKD-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423876 484753660 /nfs/dbraw/zinc/75/36/60/484753660.db2.gz SJSMFKBWLFJQKD-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419423879 484753267 /nfs/dbraw/zinc/75/32/67/484753267.db2.gz SJSMFKBWLFJQKD-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419423879 484753264 /nfs/dbraw/zinc/75/32/64/484753264.db2.gz SJSMFKBWLFJQKD-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419423879 484753261 /nfs/dbraw/zinc/75/32/61/484753261.db2.gz SJSMFKBWLFJQKD-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419423882 484753390 /nfs/dbraw/zinc/75/33/90/484753390.db2.gz SJSMFKBWLFJQKD-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419423882 484753385 /nfs/dbraw/zinc/75/33/85/484753385.db2.gz SJSMFKBWLFJQKD-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419423882 484753379 /nfs/dbraw/zinc/75/33/79/484753379.db2.gz SJSMFKBWLFJQKD-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419424051 484752918 /nfs/dbraw/zinc/75/29/18/484752918.db2.gz SPTAHVNHVLTELJ-UHFFFAOYSA-N 2 1 361.490 -0.354 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419425098 484753711 /nfs/dbraw/zinc/75/37/11/484753711.db2.gz UVOVMLRGRMMMQW-KRWDZBQOSA-N 2 1 361.490 -0.102 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419425098 484753706 /nfs/dbraw/zinc/75/37/06/484753706.db2.gz UVOVMLRGRMMMQW-KRWDZBQOSA-N 2 1 361.490 -0.102 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425098 484753698 /nfs/dbraw/zinc/75/36/98/484753698.db2.gz UVOVMLRGRMMMQW-KRWDZBQOSA-N 2 1 361.490 -0.102 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419425099 484753055 /nfs/dbraw/zinc/75/30/55/484753055.db2.gz UVOVMLRGRMMMQW-QGZVFWFLSA-N 2 1 361.490 -0.102 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419425099 484753051 /nfs/dbraw/zinc/75/30/51/484753051.db2.gz UVOVMLRGRMMMQW-QGZVFWFLSA-N 2 1 361.490 -0.102 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425099 484753050 /nfs/dbraw/zinc/75/30/50/484753050.db2.gz UVOVMLRGRMMMQW-QGZVFWFLSA-N 2 1 361.490 -0.102 20 0 FBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419426264 484753232 /nfs/dbraw/zinc/75/32/32/484753232.db2.gz QPLBLFWCIISBKE-KRWDZBQOSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419426265 484752856 /nfs/dbraw/zinc/75/28/56/484752856.db2.gz QPLBLFWCIISBKE-QGZVFWFLSA-N 2 1 360.458 -0.344 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419426881 484753826 /nfs/dbraw/zinc/75/38/26/484753826.db2.gz YFQLJXWVCMUPQQ-KRWDZBQOSA-N 2 1 361.490 -0.054 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419426881 484753818 /nfs/dbraw/zinc/75/38/18/484753818.db2.gz YFQLJXWVCMUPQQ-KRWDZBQOSA-N 2 1 361.490 -0.054 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419426881 484753810 /nfs/dbraw/zinc/75/38/10/484753810.db2.gz YFQLJXWVCMUPQQ-KRWDZBQOSA-N 2 1 361.490 -0.054 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419426884 484753163 /nfs/dbraw/zinc/75/31/63/484753163.db2.gz YFQLJXWVCMUPQQ-QGZVFWFLSA-N 2 1 361.490 -0.054 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419426884 484753158 /nfs/dbraw/zinc/75/31/58/484753158.db2.gz YFQLJXWVCMUPQQ-QGZVFWFLSA-N 2 1 361.490 -0.054 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419426884 484753153 /nfs/dbraw/zinc/75/31/53/484753153.db2.gz YFQLJXWVCMUPQQ-QGZVFWFLSA-N 2 1 361.490 -0.054 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419427531 484752466 /nfs/dbraw/zinc/75/24/66/484752466.db2.gz ZDKDVZYMKSUVIC-UHFFFAOYSA-N 2 1 361.490 -0.272 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419428096 484753784 /nfs/dbraw/zinc/75/37/84/484753784.db2.gz SQOZDBBHGWOHCE-OWCLPIDISA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419428098 484753016 /nfs/dbraw/zinc/75/30/16/484753016.db2.gz SQOZDBBHGWOHCE-XHSDSOJGSA-N 2 1 354.495 -0.035 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419444574 484755145 /nfs/dbraw/zinc/75/51/45/484755145.db2.gz DBNDYENODRCZPR-INIZCTEOSA-N 2 1 363.462 -0.361 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419444574 484755143 /nfs/dbraw/zinc/75/51/43/484755143.db2.gz DBNDYENODRCZPR-INIZCTEOSA-N 2 1 363.462 -0.361 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419444575 484755355 /nfs/dbraw/zinc/75/53/55/484755355.db2.gz DBNDYENODRCZPR-MRXNPFEDSA-N 2 1 363.462 -0.361 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419444575 484755353 /nfs/dbraw/zinc/75/53/53/484755353.db2.gz DBNDYENODRCZPR-MRXNPFEDSA-N 2 1 363.462 -0.361 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419446583 484755317 /nfs/dbraw/zinc/75/53/17/484755317.db2.gz GOPNLPRHWSUVAH-CVEARBPZSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419446584 484754500 /nfs/dbraw/zinc/75/45/00/484754500.db2.gz GOPNLPRHWSUVAH-HOTGVXAUSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419446585 484754675 /nfs/dbraw/zinc/75/46/75/484754675.db2.gz GOPNLPRHWSUVAH-HZPDHXFCSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419446586 484755128 /nfs/dbraw/zinc/75/51/28/484755128.db2.gz GOPNLPRHWSUVAH-JKSUJKDBSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419453156 484756565 /nfs/dbraw/zinc/75/65/65/484756565.db2.gz QVUWFJWGJDQROZ-CVEARBPZSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419453157 484756670 /nfs/dbraw/zinc/75/66/70/484756670.db2.gz QVUWFJWGJDQROZ-HOTGVXAUSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419453158 484756127 /nfs/dbraw/zinc/75/61/27/484756127.db2.gz QVUWFJWGJDQROZ-HZPDHXFCSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419453159 484756399 /nfs/dbraw/zinc/75/63/99/484756399.db2.gz QVUWFJWGJDQROZ-JKSUJKDBSA-N 2 1 359.474 -0.209 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455754 483703403 /nfs/dbraw/zinc/70/34/03/483703403.db2.gz XULLTOPPJIFEMG-INIZCTEOSA-N 2 1 361.490 -0.009 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455755 483703302 /nfs/dbraw/zinc/70/33/02/483703302.db2.gz XULLTOPPJIFEMG-MRXNPFEDSA-N 2 1 361.490 -0.009 20 0 FBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419466747 484753759 /nfs/dbraw/zinc/75/37/59/484753759.db2.gz TYLUHNAYZHKZBC-BZUAXINKSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419466747 484753753 /nfs/dbraw/zinc/75/37/53/484753753.db2.gz TYLUHNAYZHKZBC-BZUAXINKSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000419466747 484753748 /nfs/dbraw/zinc/75/37/48/484753748.db2.gz TYLUHNAYZHKZBC-BZUAXINKSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419466748 484753955 /nfs/dbraw/zinc/75/39/55/484753955.db2.gz TYLUHNAYZHKZBC-OAGGEKHMSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419466748 484753951 /nfs/dbraw/zinc/75/39/51/484753951.db2.gz TYLUHNAYZHKZBC-OAGGEKHMSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000419466748 484753945 /nfs/dbraw/zinc/75/39/45/484753945.db2.gz TYLUHNAYZHKZBC-OAGGEKHMSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C[NH+]1CCO ZINC000419466750 484752953 /nfs/dbraw/zinc/75/29/53/484752953.db2.gz TYLUHNAYZHKZBC-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C[NH+]1CCO ZINC000419466750 484752948 /nfs/dbraw/zinc/75/29/48/484752948.db2.gz TYLUHNAYZHKZBC-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C[N@H+]1CCO ZINC000419466750 484752945 /nfs/dbraw/zinc/75/29/45/484752945.db2.gz TYLUHNAYZHKZBC-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C[NH+]1CCO ZINC000419466751 484752592 /nfs/dbraw/zinc/75/25/92/484752592.db2.gz TYLUHNAYZHKZBC-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C[NH+]1CCO ZINC000419466751 484752585 /nfs/dbraw/zinc/75/25/85/484752585.db2.gz TYLUHNAYZHKZBC-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C[N@H+]1CCO ZINC000419466751 484752578 /nfs/dbraw/zinc/75/25/78/484752578.db2.gz TYLUHNAYZHKZBC-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419475081 484760372 /nfs/dbraw/zinc/76/03/72/484760372.db2.gz CZUPHMKJRHAIIE-OWCLPIDISA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419475083 484760186 /nfs/dbraw/zinc/76/01/86/484760186.db2.gz CZUPHMKJRHAIIE-XHSDSOJGSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479512 484760441 /nfs/dbraw/zinc/76/04/41/484760441.db2.gz LMWVQKKEAWXWNY-CALCHBBNSA-N 2 1 367.538 -0.118 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479866 484759777 /nfs/dbraw/zinc/75/97/77/484759777.db2.gz MDBMQOUKFFHZPK-INIZCTEOSA-N 2 1 353.511 -0.364 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479871 484760277 /nfs/dbraw/zinc/76/02/77/484760277.db2.gz MDBMQOUKFFHZPK-MRXNPFEDSA-N 2 1 353.511 -0.364 20 0 FBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419485641 484761844 /nfs/dbraw/zinc/76/18/44/484761844.db2.gz VUKGRCNNXOZRSM-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419485642 484760911 /nfs/dbraw/zinc/76/09/11/484760911.db2.gz VUKGRCNNXOZRSM-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487323 484761640 /nfs/dbraw/zinc/76/16/40/484761640.db2.gz AYLCJPWPCLZZAR-CVEARBPZSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487325 484760864 /nfs/dbraw/zinc/76/08/64/484760864.db2.gz AYLCJPWPCLZZAR-HOTGVXAUSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487328 484761570 /nfs/dbraw/zinc/76/15/70/484761570.db2.gz AYLCJPWPCLZZAR-HZPDHXFCSA-N 2 1 359.474 -0.127 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487330 484761693 /nfs/dbraw/zinc/76/16/93/484761693.db2.gz AYLCJPWPCLZZAR-JKSUJKDBSA-N 2 1 359.474 -0.127 20 0 FBADMP Cc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)o1 ZINC000419499220 484756572 /nfs/dbraw/zinc/75/65/72/484756572.db2.gz BEJOQJGIIFTQKC-AWEZNQCLSA-N 2 1 352.435 -0.379 20 0 FBADMP Cc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)o1 ZINC000419499221 484755874 /nfs/dbraw/zinc/75/58/74/484755874.db2.gz BEJOQJGIIFTQKC-CQSZACIVSA-N 2 1 352.435 -0.379 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)[NH2+]1 ZINC000419502403 484758225 /nfs/dbraw/zinc/75/82/25/484758225.db2.gz CYZYXVJKCTZNOQ-KFWWJZLASA-N 2 1 367.494 -0.746 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506030 483725866 /nfs/dbraw/zinc/72/58/66/483725866.db2.gz MLMXNWHFQOHUEQ-INIZCTEOSA-N 2 1 361.490 -0.009 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506036 483725960 /nfs/dbraw/zinc/72/59/60/483725960.db2.gz MLMXNWHFQOHUEQ-MRXNPFEDSA-N 2 1 361.490 -0.009 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506749 484758311 /nfs/dbraw/zinc/75/83/11/484758311.db2.gz NTMFFAVLGSIFBJ-CVEARBPZSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506751 484757622 /nfs/dbraw/zinc/75/76/22/484757622.db2.gz NTMFFAVLGSIFBJ-HOTGVXAUSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506761 484757940 /nfs/dbraw/zinc/75/79/40/484757940.db2.gz NTMFFAVLGSIFBJ-HZPDHXFCSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506769 484757933 /nfs/dbraw/zinc/75/79/33/484757933.db2.gz NTMFFAVLGSIFBJ-JKSUJKDBSA-N 2 1 359.474 -0.209 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419508587 484758095 /nfs/dbraw/zinc/75/80/95/484758095.db2.gz CYZYXVJKCTZNOQ-QLFBSQMISA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)[NH2+]1 ZINC000419508589 484758161 /nfs/dbraw/zinc/75/81/61/484758161.db2.gz CYZYXVJKCTZNOQ-RBSFLKMASA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419508591 484757900 /nfs/dbraw/zinc/75/79/00/484757900.db2.gz CYZYXVJKCTZNOQ-ZNMIVQPWSA-N 2 1 367.494 -0.746 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419508874 484758658 /nfs/dbraw/zinc/75/86/58/484758658.db2.gz DKIPNHFETKWFOI-CABCVRRESA-N 2 1 369.510 -0.465 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419508879 484757784 /nfs/dbraw/zinc/75/77/84/484757784.db2.gz DKIPNHFETKWFOI-GJZGRUSLSA-N 2 1 369.510 -0.465 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419508885 484758371 /nfs/dbraw/zinc/75/83/71/484758371.db2.gz DKIPNHFETKWFOI-HUUCEWRRSA-N 2 1 369.510 -0.465 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419508889 484757638 /nfs/dbraw/zinc/75/76/38/484757638.db2.gz DKIPNHFETKWFOI-LSDHHAIUSA-N 2 1 369.510 -0.465 20 0 FBADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000419518904 484759974 /nfs/dbraw/zinc/75/99/74/484759974.db2.gz ZIOZSQJXYNAJBN-CABCVRRESA-N 2 1 364.446 -0.054 20 0 FBADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000419518905 484759455 /nfs/dbraw/zinc/75/94/55/484759455.db2.gz ZIOZSQJXYNAJBN-GJZGRUSLSA-N 2 1 364.446 -0.054 20 0 FBADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000419518906 484760212 /nfs/dbraw/zinc/76/02/12/484760212.db2.gz ZIOZSQJXYNAJBN-HUUCEWRRSA-N 2 1 364.446 -0.054 20 0 FBADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000419518907 484759860 /nfs/dbraw/zinc/75/98/60/484759860.db2.gz ZIOZSQJXYNAJBN-LSDHHAIUSA-N 2 1 364.446 -0.054 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419519821 484759260 /nfs/dbraw/zinc/75/92/60/484759260.db2.gz GMYCDZXPOIQAKW-KBPBESRZSA-N 2 1 355.483 -0.854 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419519822 484760361 /nfs/dbraw/zinc/76/03/61/484760361.db2.gz GMYCDZXPOIQAKW-KGLIPLIRSA-N 2 1 355.483 -0.854 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419519823 484759548 /nfs/dbraw/zinc/75/95/48/484759548.db2.gz GMYCDZXPOIQAKW-UONOGXRCSA-N 2 1 355.483 -0.854 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419519824 484759715 /nfs/dbraw/zinc/75/97/15/484759715.db2.gz GMYCDZXPOIQAKW-ZIAGYGMSSA-N 2 1 355.483 -0.854 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522190 484759724 /nfs/dbraw/zinc/75/97/24/484759724.db2.gz LYWXFCSDSUOOOW-CABCVRRESA-N 2 1 367.494 -0.615 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522192 484760020 /nfs/dbraw/zinc/76/00/20/484760020.db2.gz LYWXFCSDSUOOOW-HUUCEWRRSA-N 2 1 367.494 -0.615 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523005 484760334 /nfs/dbraw/zinc/76/03/34/484760334.db2.gz NQALNZWKLGBPHE-CABCVRRESA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523006 484759529 /nfs/dbraw/zinc/75/95/29/484759529.db2.gz NQALNZWKLGBPHE-GJZGRUSLSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523007 484759211 /nfs/dbraw/zinc/75/92/11/484759211.db2.gz NQALNZWKLGBPHE-HUUCEWRRSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523008 484759813 /nfs/dbraw/zinc/75/98/13/484759813.db2.gz NQALNZWKLGBPHE-LSDHHAIUSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523071 484759993 /nfs/dbraw/zinc/75/99/93/484759993.db2.gz OAFCKIJLGHNWEP-HNNXBMFYSA-N 2 1 367.494 -0.567 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523072 484759672 /nfs/dbraw/zinc/75/96/72/484759672.db2.gz OAFCKIJLGHNWEP-OAHLLOKOSA-N 2 1 367.494 -0.567 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419523569 484759290 /nfs/dbraw/zinc/75/92/90/484759290.db2.gz OLZIAJJMEIVWGY-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419523570 484759688 /nfs/dbraw/zinc/75/96/88/484759688.db2.gz OLZIAJJMEIVWGY-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419523571 484760244 /nfs/dbraw/zinc/76/02/44/484760244.db2.gz OLZIAJJMEIVWGY-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419523572 484760286 /nfs/dbraw/zinc/76/02/86/484760286.db2.gz OLZIAJJMEIVWGY-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419524849 484762674 /nfs/dbraw/zinc/76/26/74/484762674.db2.gz QLHNGOJNJNWEDA-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419524849 484762669 /nfs/dbraw/zinc/76/26/69/484762669.db2.gz QLHNGOJNJNWEDA-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419524852 484763664 /nfs/dbraw/zinc/76/36/64/484763664.db2.gz QLHNGOJNJNWEDA-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419524852 484763655 /nfs/dbraw/zinc/76/36/55/484763655.db2.gz QLHNGOJNJNWEDA-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419524854 484762575 /nfs/dbraw/zinc/76/25/75/484762575.db2.gz QLHNGOJNJNWEDA-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419524854 484762568 /nfs/dbraw/zinc/76/25/68/484762568.db2.gz QLHNGOJNJNWEDA-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419524856 484763471 /nfs/dbraw/zinc/76/34/71/484763471.db2.gz QLHNGOJNJNWEDA-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419524856 484763466 /nfs/dbraw/zinc/76/34/66/484763466.db2.gz QLHNGOJNJNWEDA-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419524897 484763310 /nfs/dbraw/zinc/76/33/10/484763310.db2.gz QNZOBPVFFQGQTD-ILXRZTDVSA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000419524899 484763571 /nfs/dbraw/zinc/76/35/71/484763571.db2.gz QNZOBPVFFQGQTD-KFWWJZLASA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419524901 484762495 /nfs/dbraw/zinc/76/24/95/484762495.db2.gz QNZOBPVFFQGQTD-QLFBSQMISA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000419524903 484763340 /nfs/dbraw/zinc/76/33/40/484763340.db2.gz QNZOBPVFFQGQTD-RBSFLKMASA-N 2 1 367.494 -0.746 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419525202 484762917 /nfs/dbraw/zinc/76/29/17/484762917.db2.gz RAHSUGRKEJRMEY-AWEZNQCLSA-N 2 1 369.510 -0.321 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419525203 484763000 /nfs/dbraw/zinc/76/30/00/484763000.db2.gz RAHSUGRKEJRMEY-CQSZACIVSA-N 2 1 369.510 -0.321 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525470 484763278 /nfs/dbraw/zinc/76/32/78/484763278.db2.gz DIZKBKSFTXAMBQ-DJIMGWMZSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525471 484763726 /nfs/dbraw/zinc/76/37/26/484763726.db2.gz DIZKBKSFTXAMBQ-HYVNUMGLSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525472 484763425 /nfs/dbraw/zinc/76/34/25/484763425.db2.gz DIZKBKSFTXAMBQ-OIISXLGYSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525473 484762635 /nfs/dbraw/zinc/76/26/35/484762635.db2.gz DIZKBKSFTXAMBQ-PVAVHDDUSA-N 2 1 360.458 -0.272 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419526112 484762842 /nfs/dbraw/zinc/76/28/42/484762842.db2.gz SHGKCXWWJAEVGO-HNNXBMFYSA-N 2 1 365.478 -0.990 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419526112 484762839 /nfs/dbraw/zinc/76/28/39/484762839.db2.gz SHGKCXWWJAEVGO-HNNXBMFYSA-N 2 1 365.478 -0.990 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419526113 484762947 /nfs/dbraw/zinc/76/29/47/484762947.db2.gz SHGKCXWWJAEVGO-OAHLLOKOSA-N 2 1 365.478 -0.990 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419526113 484762944 /nfs/dbraw/zinc/76/29/44/484762944.db2.gz SHGKCXWWJAEVGO-OAHLLOKOSA-N 2 1 365.478 -0.990 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527070 484762737 /nfs/dbraw/zinc/76/27/37/484762737.db2.gz FTIIBACLUAVHPM-AEFFLSMTSA-N 2 1 373.501 -0.356 20 0 FBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527071 484763757 /nfs/dbraw/zinc/76/37/57/484763757.db2.gz FTIIBACLUAVHPM-FUHWJXTLSA-N 2 1 373.501 -0.356 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527072 484762357 /nfs/dbraw/zinc/76/23/57/484762357.db2.gz FTIIBACLUAVHPM-SJLPKXTDSA-N 2 1 373.501 -0.356 20 0 FBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527073 484762424 /nfs/dbraw/zinc/76/24/24/484762424.db2.gz FTIIBACLUAVHPM-WMZOPIPTSA-N 2 1 373.501 -0.356 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419528082 484762858 /nfs/dbraw/zinc/76/28/58/484762858.db2.gz WAMLAGLXIRSUEQ-ILXRZTDVSA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419528083 484763682 /nfs/dbraw/zinc/76/36/82/484763682.db2.gz WAMLAGLXIRSUEQ-KFWWJZLASA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419528084 484763097 /nfs/dbraw/zinc/76/30/97/484763097.db2.gz WAMLAGLXIRSUEQ-QLFBSQMISA-N 2 1 367.494 -0.841 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419528085 484763500 /nfs/dbraw/zinc/76/35/00/484763500.db2.gz WAMLAGLXIRSUEQ-RBSFLKMASA-N 2 1 367.494 -0.841 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419528580 484763802 /nfs/dbraw/zinc/76/38/02/484763802.db2.gz WQRABYAOLDITLY-AWEZNQCLSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419528581 484763177 /nfs/dbraw/zinc/76/31/77/484763177.db2.gz WQRABYAOLDITLY-CQSZACIVSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419529934 484762766 /nfs/dbraw/zinc/76/27/66/484762766.db2.gz YCBUMPPYAVCCPP-CABCVRRESA-N 2 1 369.510 -0.321 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419529935 484762814 /nfs/dbraw/zinc/76/28/14/484762814.db2.gz YCBUMPPYAVCCPP-GJZGRUSLSA-N 2 1 369.510 -0.321 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419529936 484762878 /nfs/dbraw/zinc/76/28/78/484762878.db2.gz YCBUMPPYAVCCPP-HUUCEWRRSA-N 2 1 369.510 -0.321 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419529937 484763110 /nfs/dbraw/zinc/76/31/10/484763110.db2.gz YCBUMPPYAVCCPP-LSDHHAIUSA-N 2 1 369.510 -0.321 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419532438 484763048 /nfs/dbraw/zinc/76/30/48/484763048.db2.gz HJATVNPEWVJDMC-FZKCQIBNSA-N 2 1 352.479 -0.201 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419532439 484762824 /nfs/dbraw/zinc/76/28/24/484762824.db2.gz HJATVNPEWVJDMC-JJXSEGSLSA-N 2 1 352.479 -0.201 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419532440 484762890 /nfs/dbraw/zinc/76/28/90/484762890.db2.gz HJATVNPEWVJDMC-XUWVNRHRSA-N 2 1 352.479 -0.201 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419532441 484763228 /nfs/dbraw/zinc/76/32/28/484763228.db2.gz HJATVNPEWVJDMC-ZJIFWQFVSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419532853 484762470 /nfs/dbraw/zinc/76/24/70/484762470.db2.gz NVQJVYXRBPBNKH-DJIMGWMZSA-N 2 1 360.458 -0.191 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419532854 484763379 /nfs/dbraw/zinc/76/33/79/484763379.db2.gz NVQJVYXRBPBNKH-HYVNUMGLSA-N 2 1 360.458 -0.191 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419532856 484763612 /nfs/dbraw/zinc/76/36/12/484763612.db2.gz NVQJVYXRBPBNKH-OIISXLGYSA-N 2 1 360.458 -0.191 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419532858 484762773 /nfs/dbraw/zinc/76/27/73/484762773.db2.gz NVQJVYXRBPBNKH-PVAVHDDUSA-N 2 1 360.458 -0.191 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419539649 484764959 /nfs/dbraw/zinc/76/49/59/484764959.db2.gz YQKHULIBZXCNFU-DOTOQJQBSA-N 2 1 362.474 -0.025 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419539650 484765102 /nfs/dbraw/zinc/76/51/02/484765102.db2.gz YQKHULIBZXCNFU-NVXWUHKLSA-N 2 1 362.474 -0.025 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419539651 484765026 /nfs/dbraw/zinc/76/50/26/484765026.db2.gz YQKHULIBZXCNFU-RDJZCZTQSA-N 2 1 362.474 -0.025 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419539652 484765135 /nfs/dbraw/zinc/76/51/35/484765135.db2.gz YQKHULIBZXCNFU-WBVHZDCISA-N 2 1 362.474 -0.025 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@H+]1C ZINC000419540787 484764346 /nfs/dbraw/zinc/76/43/46/484764346.db2.gz CKGAEPYZLKZZGL-FPCVCCKLSA-N 2 1 364.490 -0.188 20 0 FBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@H+]1C ZINC000419540788 484765290 /nfs/dbraw/zinc/76/52/90/484765290.db2.gz CKGAEPYZLKZZGL-FZKCQIBNSA-N 2 1 364.490 -0.188 20 0 FBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@H+]1C ZINC000419540789 484764596 /nfs/dbraw/zinc/76/45/96/484764596.db2.gz CKGAEPYZLKZZGL-JJXSEGSLSA-N 2 1 364.490 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@H+]1C ZINC000419540790 484764741 /nfs/dbraw/zinc/76/47/41/484764741.db2.gz CKGAEPYZLKZZGL-WCVJEAGWSA-N 2 1 364.490 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[N@H+]1C ZINC000419543707 484764998 /nfs/dbraw/zinc/76/49/98/484764998.db2.gz GNXCPXMESSXBJR-ILXRZTDVSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[N@@H+]1C ZINC000419543707 484764993 /nfs/dbraw/zinc/76/49/93/484764993.db2.gz GNXCPXMESSXBJR-ILXRZTDVSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[N@H+]1C ZINC000419543708 484764395 /nfs/dbraw/zinc/76/43/95/484764395.db2.gz GNXCPXMESSXBJR-KFWWJZLASA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[N@@H+]1C ZINC000419543708 484764390 /nfs/dbraw/zinc/76/43/90/484764390.db2.gz GNXCPXMESSXBJR-KFWWJZLASA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[N@H+]1C ZINC000419543709 484764870 /nfs/dbraw/zinc/76/48/70/484764870.db2.gz GNXCPXMESSXBJR-QLFBSQMISA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[N@@H+]1C ZINC000419543709 484764864 /nfs/dbraw/zinc/76/48/64/484764864.db2.gz GNXCPXMESSXBJR-QLFBSQMISA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[N@H+]1C ZINC000419543710 484764264 /nfs/dbraw/zinc/76/42/64/484764264.db2.gz GNXCPXMESSXBJR-RBSFLKMASA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[N@@H+]1C ZINC000419543710 484764254 /nfs/dbraw/zinc/76/42/54/484764254.db2.gz GNXCPXMESSXBJR-RBSFLKMASA-N 2 1 365.478 -0.992 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419549922 484766350 /nfs/dbraw/zinc/76/63/50/484766350.db2.gz VYLOVSSDRKYZPQ-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419549923 484766229 /nfs/dbraw/zinc/76/62/29/484766229.db2.gz VYLOVSSDRKYZPQ-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551825 484765976 /nfs/dbraw/zinc/76/59/76/484765976.db2.gz XXISWVSZJAJTAX-BFHYXJOUSA-N 2 1 356.467 -0.557 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551828 484766613 /nfs/dbraw/zinc/76/66/13/484766613.db2.gz XXISWVSZJAJTAX-MCIONIFRSA-N 2 1 356.467 -0.557 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551831 484766368 /nfs/dbraw/zinc/76/63/68/484766368.db2.gz XXISWVSZJAJTAX-MGPQQGTHSA-N 2 1 356.467 -0.557 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551834 484766192 /nfs/dbraw/zinc/76/61/92/484766192.db2.gz XXISWVSZJAJTAX-MJBXVCDLSA-N 2 1 356.467 -0.557 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[N@H+]1C ZINC000419555588 484765839 /nfs/dbraw/zinc/76/58/39/484765839.db2.gz JKPCPVXQOKPFQZ-ILXRZTDVSA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[N@H+]1C ZINC000419555589 484766335 /nfs/dbraw/zinc/76/63/35/484766335.db2.gz JKPCPVXQOKPFQZ-KFWWJZLASA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[N@H+]1C ZINC000419555590 484765911 /nfs/dbraw/zinc/76/59/11/484765911.db2.gz JKPCPVXQOKPFQZ-QLFBSQMISA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[N@H+]1C ZINC000419555591 484766459 /nfs/dbraw/zinc/76/64/59/484766459.db2.gz JKPCPVXQOKPFQZ-RBSFLKMASA-N 2 1 367.494 -0.569 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419560464 484766242 /nfs/dbraw/zinc/76/62/42/484766242.db2.gz IJBFDQTWCNYQRQ-UHFFFAOYSA-N 2 1 367.494 -0.696 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419571798 484767290 /nfs/dbraw/zinc/76/72/90/484767290.db2.gz WGWKLYOOZWSZTF-KBPBESRZSA-N 2 1 367.494 -0.698 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419571799 484767419 /nfs/dbraw/zinc/76/74/19/484767419.db2.gz WGWKLYOOZWSZTF-KGLIPLIRSA-N 2 1 367.494 -0.698 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419571800 484767583 /nfs/dbraw/zinc/76/75/83/484767583.db2.gz WGWKLYOOZWSZTF-UONOGXRCSA-N 2 1 367.494 -0.698 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419571801 484768086 /nfs/dbraw/zinc/76/80/86/484768086.db2.gz WGWKLYOOZWSZTF-ZIAGYGMSSA-N 2 1 367.494 -0.698 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576285 484767686 /nfs/dbraw/zinc/76/76/86/484767686.db2.gz BWCHYPVWYVPXID-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576286 484767670 /nfs/dbraw/zinc/76/76/70/484767670.db2.gz BWCHYPVWYVPXID-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576287 484767165 /nfs/dbraw/zinc/76/71/65/484767165.db2.gz BWCHYPVWYVPXID-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576288 484767775 /nfs/dbraw/zinc/76/77/75/484767775.db2.gz BWCHYPVWYVPXID-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@@H+](C)C1CC1 ZINC000419576887 484764197 /nfs/dbraw/zinc/76/41/97/484764197.db2.gz CPJPQMAMGGONHI-DZGCQCFKSA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@@H+](C)C1CC1 ZINC000419576889 484765082 /nfs/dbraw/zinc/76/50/82/484765082.db2.gz CPJPQMAMGGONHI-HIFRSBDPSA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@@H+](C)C1CC1 ZINC000419576890 484764713 /nfs/dbraw/zinc/76/47/13/484764713.db2.gz CPJPQMAMGGONHI-UKRRQHHQSA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@@H+](C)C1CC1 ZINC000419576892 484765225 /nfs/dbraw/zinc/76/52/25/484765225.db2.gz CPJPQMAMGGONHI-ZFWWWQNUSA-N 2 1 367.494 -0.569 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)C1CC1 ZINC000419596726 484769144 /nfs/dbraw/zinc/76/91/44/484769144.db2.gz YUFAAXNFVSLNCA-DZGCQCFKSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)C1CC1 ZINC000419596726 484769140 /nfs/dbraw/zinc/76/91/40/484769140.db2.gz YUFAAXNFVSLNCA-DZGCQCFKSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)C1CC1 ZINC000419596727 484769183 /nfs/dbraw/zinc/76/91/83/484769183.db2.gz YUFAAXNFVSLNCA-HIFRSBDPSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)C1CC1 ZINC000419596727 484769177 /nfs/dbraw/zinc/76/91/77/484769177.db2.gz YUFAAXNFVSLNCA-HIFRSBDPSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)C1CC1 ZINC000419596728 484769030 /nfs/dbraw/zinc/76/90/30/484769030.db2.gz YUFAAXNFVSLNCA-UKRRQHHQSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)C1CC1 ZINC000419596728 484769025 /nfs/dbraw/zinc/76/90/25/484769025.db2.gz YUFAAXNFVSLNCA-UKRRQHHQSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)C1CC1 ZINC000419596729 484769075 /nfs/dbraw/zinc/76/90/75/484769075.db2.gz YUFAAXNFVSLNCA-ZFWWWQNUSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)C1CC1 ZINC000419596729 484769070 /nfs/dbraw/zinc/76/90/70/484769070.db2.gz YUFAAXNFVSLNCA-ZFWWWQNUSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000419647324 484770394 /nfs/dbraw/zinc/77/03/94/484770394.db2.gz ANVVCCQKKSSIAA-DOTOQJQBSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000419647326 484770725 /nfs/dbraw/zinc/77/07/25/484770725.db2.gz ANVVCCQKKSSIAA-NVXWUHKLSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000419647327 484770126 /nfs/dbraw/zinc/77/01/26/484770126.db2.gz ANVVCCQKKSSIAA-RDJZCZTQSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000419647329 484770318 /nfs/dbraw/zinc/77/03/18/484770318.db2.gz ANVVCCQKKSSIAA-WBVHZDCISA-N 2 1 362.474 -0.065 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419686835 484774483 /nfs/dbraw/zinc/77/44/83/484774483.db2.gz ZZSNVTGDMOTQLM-INIZCTEOSA-N 2 1 363.462 -0.361 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419686835 484774478 /nfs/dbraw/zinc/77/44/78/484774478.db2.gz ZZSNVTGDMOTQLM-INIZCTEOSA-N 2 1 363.462 -0.361 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419686837 484774353 /nfs/dbraw/zinc/77/43/53/484774353.db2.gz ZZSNVTGDMOTQLM-MRXNPFEDSA-N 2 1 363.462 -0.361 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419686837 484774350 /nfs/dbraw/zinc/77/43/50/484774350.db2.gz ZZSNVTGDMOTQLM-MRXNPFEDSA-N 2 1 363.462 -0.361 20 0 FBADMP [NH3+]CCNC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419687668 484774909 /nfs/dbraw/zinc/77/49/09/484774909.db2.gz FDEWOODCQPPWIR-UHFFFAOYSA-N 2 1 361.490 -0.225 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688468 484774386 /nfs/dbraw/zinc/77/43/86/484774386.db2.gz ATYOLOWFWFXXTC-INIZCTEOSA-N 2 1 353.511 -0.366 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688469 484775042 /nfs/dbraw/zinc/77/50/42/484775042.db2.gz ATYOLOWFWFXXTC-MRXNPFEDSA-N 2 1 353.511 -0.366 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000419698105 484774667 /nfs/dbraw/zinc/77/46/67/484774667.db2.gz RYTCFDMJBPAIBA-AWEZNQCLSA-N 2 1 367.494 -0.710 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000419698108 484774731 /nfs/dbraw/zinc/77/47/31/484774731.db2.gz RYTCFDMJBPAIBA-CQSZACIVSA-N 2 1 367.494 -0.710 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000419703050 484776666 /nfs/dbraw/zinc/77/66/66/484776666.db2.gz CFHCDIUBTMSEFJ-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000419703051 484776950 /nfs/dbraw/zinc/77/69/50/484776950.db2.gz CFHCDIUBTMSEFJ-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419703146 484776638 /nfs/dbraw/zinc/77/66/38/484776638.db2.gz CNXCFVQTJAFNCT-IXDOHACOSA-N 2 1 360.458 -0.223 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419703148 484776091 /nfs/dbraw/zinc/77/60/91/484776091.db2.gz CNXCFVQTJAFNCT-YESZJQIVSA-N 2 1 360.458 -0.223 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419704379 484776062 /nfs/dbraw/zinc/77/60/62/484776062.db2.gz GHHQLLNZPGZZOU-DJIMGWMZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419704380 484775948 /nfs/dbraw/zinc/77/59/48/484775948.db2.gz GHHQLLNZPGZZOU-HYVNUMGLSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419704381 484777053 /nfs/dbraw/zinc/77/70/53/484777053.db2.gz GHHQLLNZPGZZOU-OIISXLGYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419704382 484777024 /nfs/dbraw/zinc/77/70/24/484777024.db2.gz GHHQLLNZPGZZOU-PVAVHDDUSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419706797 484776365 /nfs/dbraw/zinc/77/63/65/484776365.db2.gz LEMQYZLPHUJANY-DJIMGWMZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419706798 484776607 /nfs/dbraw/zinc/77/66/07/484776607.db2.gz LEMQYZLPHUJANY-HYVNUMGLSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419706799 484776828 /nfs/dbraw/zinc/77/68/28/484776828.db2.gz LEMQYZLPHUJANY-OIISXLGYSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419706800 484776481 /nfs/dbraw/zinc/77/64/81/484776481.db2.gz LEMQYZLPHUJANY-PVAVHDDUSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419708314 484776140 /nfs/dbraw/zinc/77/61/40/484776140.db2.gz NEVAJEWZHXCIQL-AEFFLSMTSA-N 2 1 373.501 -0.213 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419708315 484776887 /nfs/dbraw/zinc/77/68/87/484776887.db2.gz NEVAJEWZHXCIQL-FUHWJXTLSA-N 2 1 373.501 -0.213 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419708316 484776349 /nfs/dbraw/zinc/77/63/49/484776349.db2.gz NEVAJEWZHXCIQL-SJLPKXTDSA-N 2 1 373.501 -0.213 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419708317 484776723 /nfs/dbraw/zinc/77/67/23/484776723.db2.gz NEVAJEWZHXCIQL-WMZOPIPTSA-N 2 1 373.501 -0.213 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000419722246 484778161 /nfs/dbraw/zinc/77/81/61/484778161.db2.gz LXUATHTWMVMGNI-DLBZAZTESA-N 2 1 360.458 -0.222 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419730410 484784189 /nfs/dbraw/zinc/78/41/89/484784189.db2.gz PXURGMGWTBCFIM-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419730411 484784405 /nfs/dbraw/zinc/78/44/05/484784405.db2.gz PXURGMGWTBCFIM-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419730412 484784591 /nfs/dbraw/zinc/78/45/91/484784591.db2.gz PXURGMGWTBCFIM-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419730413 484784228 /nfs/dbraw/zinc/78/42/28/484784228.db2.gz PXURGMGWTBCFIM-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000419753657 484780992 /nfs/dbraw/zinc/78/09/92/484780992.db2.gz OCVLXHBGMJXZKA-UHFFFAOYSA-N 2 1 350.410 -0.298 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419755945 484781018 /nfs/dbraw/zinc/78/10/18/484781018.db2.gz ABEZXRRGRFEICZ-AWEZNQCLSA-N 2 1 355.483 -0.852 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419755947 484780387 /nfs/dbraw/zinc/78/03/87/484780387.db2.gz ABEZXRRGRFEICZ-CQSZACIVSA-N 2 1 355.483 -0.852 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccc(F)cc1 ZINC000419756129 484780292 /nfs/dbraw/zinc/78/02/92/484780292.db2.gz FSUZYQCRVNXZMM-INIZCTEOSA-N 2 1 366.437 -0.132 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccc(F)cc1 ZINC000419756130 484780278 /nfs/dbraw/zinc/78/02/78/484780278.db2.gz FSUZYQCRVNXZMM-MRXNPFEDSA-N 2 1 366.437 -0.132 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419756174 484781636 /nfs/dbraw/zinc/78/16/36/484781636.db2.gz GCNCULKCJCUDBZ-UHFFFAOYSA-N 2 1 365.453 -0.605 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419756352 484781472 /nfs/dbraw/zinc/78/14/72/484781472.db2.gz ATOVZYILEABNPG-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419756352 484781464 /nfs/dbraw/zinc/78/14/64/484781464.db2.gz ATOVZYILEABNPG-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419756353 484781408 /nfs/dbraw/zinc/78/14/08/484781408.db2.gz ATOVZYILEABNPG-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419756353 484781401 /nfs/dbraw/zinc/78/14/01/484781401.db2.gz ATOVZYILEABNPG-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761175 484781436 /nfs/dbraw/zinc/78/14/36/484781436.db2.gz PHFFNGRZIOOZJT-INIZCTEOSA-N 2 1 366.437 -0.050 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761177 484781543 /nfs/dbraw/zinc/78/15/43/484781543.db2.gz PHFFNGRZIOOZJT-MRXNPFEDSA-N 2 1 366.437 -0.050 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761681 484782359 /nfs/dbraw/zinc/78/23/59/484782359.db2.gz QPNUFWXIHRRROD-HNNXBMFYSA-N 2 1 352.410 -0.440 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761682 484782877 /nfs/dbraw/zinc/78/28/77/484782877.db2.gz QPNUFWXIHRRROD-OAHLLOKOSA-N 2 1 352.410 -0.440 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccc(F)cc1 ZINC000419765820 484783007 /nfs/dbraw/zinc/78/30/07/484783007.db2.gz XSVRGSKCOQMHBS-HNNXBMFYSA-N 2 1 352.410 -0.522 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccc(F)cc1 ZINC000419765821 484782941 /nfs/dbraw/zinc/78/29/41/484782941.db2.gz XSVRGSKCOQMHBS-OAHLLOKOSA-N 2 1 352.410 -0.522 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419779888 484785101 /nfs/dbraw/zinc/78/51/01/484785101.db2.gz MDHVAZRFYVNOTE-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419779891 484786076 /nfs/dbraw/zinc/78/60/76/484786076.db2.gz MDHVAZRFYVNOTE-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000419798499 484785343 /nfs/dbraw/zinc/78/53/43/484785343.db2.gz AKLPSVAQWMUQBO-HNNXBMFYSA-N 2 1 352.479 -0.055 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000419798500 484785480 /nfs/dbraw/zinc/78/54/80/484785480.db2.gz AKLPSVAQWMUQBO-OAHLLOKOSA-N 2 1 352.479 -0.055 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419802820 484785496 /nfs/dbraw/zinc/78/54/96/484785496.db2.gz AWUFGMMUUBVKBV-BRWVUGGUSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802823 484785020 /nfs/dbraw/zinc/78/50/20/484785020.db2.gz AWUFGMMUUBVKBV-IKGGRYGDSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419802824 484785049 /nfs/dbraw/zinc/78/50/49/484785049.db2.gz AWUFGMMUUBVKBV-IXDOHACOSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802825 484786016 /nfs/dbraw/zinc/78/60/16/484786016.db2.gz AWUFGMMUUBVKBV-ZACQAIPSSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CC[NH+](C)CC1 ZINC000419805081 484786048 /nfs/dbraw/zinc/78/60/48/484786048.db2.gz BWWJRYWGJFVEIE-CVEARBPZSA-N 2 1 367.538 -0.120 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CC[NH+](C)CC1 ZINC000419805083 484785885 /nfs/dbraw/zinc/78/58/85/484785885.db2.gz BWWJRYWGJFVEIE-HOTGVXAUSA-N 2 1 367.538 -0.120 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CC[NH+](C)CC1 ZINC000419805086 484786165 /nfs/dbraw/zinc/78/61/65/484786165.db2.gz BWWJRYWGJFVEIE-HZPDHXFCSA-N 2 1 367.538 -0.120 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CC[NH+](C)CC1 ZINC000419805090 484785690 /nfs/dbraw/zinc/78/56/90/484785690.db2.gz BWWJRYWGJFVEIE-JKSUJKDBSA-N 2 1 367.538 -0.120 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419805702 484787751 /nfs/dbraw/zinc/78/77/51/484787751.db2.gz QNSDMIBUOLWPLE-UHFFFAOYSA-N 2 1 367.494 -0.613 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811272 484787035 /nfs/dbraw/zinc/78/70/35/484787035.db2.gz FZONKZPUFNCKKH-BRWVUGGUSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811273 484786576 /nfs/dbraw/zinc/78/65/76/484786576.db2.gz FZONKZPUFNCKKH-IKGGRYGDSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811274 484787094 /nfs/dbraw/zinc/78/70/94/484787094.db2.gz FZONKZPUFNCKKH-IXDOHACOSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811275 484786679 /nfs/dbraw/zinc/78/66/79/484786679.db2.gz FZONKZPUFNCKKH-ZACQAIPSSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000419815808 484787586 /nfs/dbraw/zinc/78/75/86/484787586.db2.gz IAEDITFBFAQKDE-BZUAXINKSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000419815811 484787333 /nfs/dbraw/zinc/78/73/33/484787333.db2.gz IAEDITFBFAQKDE-OAGGEKHMSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000419815813 484787154 /nfs/dbraw/zinc/78/71/54/484787154.db2.gz IAEDITFBFAQKDE-OWCLPIDISA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000419815815 484787711 /nfs/dbraw/zinc/78/77/11/484787711.db2.gz IAEDITFBFAQKDE-PMPSAXMXSA-N 2 1 353.511 -0.428 20 0 FBADMP CN(C(=O)C(=O)NCC[NH3+])[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818776 484786822 /nfs/dbraw/zinc/78/68/22/484786822.db2.gz OXPOKSWJWKICRY-CVEARBPZSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCC[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818779 484786736 /nfs/dbraw/zinc/78/67/36/484786736.db2.gz OXPOKSWJWKICRY-HOTGVXAUSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818783 484787534 /nfs/dbraw/zinc/78/75/34/484787534.db2.gz OXPOKSWJWKICRY-HZPDHXFCSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818786 484787238 /nfs/dbraw/zinc/78/72/38/484787238.db2.gz OXPOKSWJWKICRY-JKSUJKDBSA-N 2 1 353.511 -0.143 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821877 484787477 /nfs/dbraw/zinc/78/74/77/484787477.db2.gz LFTGTECXDPRMGY-CVEARBPZSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821882 484787949 /nfs/dbraw/zinc/78/79/49/484787949.db2.gz LFTGTECXDPRMGY-HOTGVXAUSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821884 484787634 /nfs/dbraw/zinc/78/76/34/484787634.db2.gz LFTGTECXDPRMGY-HZPDHXFCSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821886 484786908 /nfs/dbraw/zinc/78/69/08/484786908.db2.gz LFTGTECXDPRMGY-JKSUJKDBSA-N 2 1 353.511 -0.284 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1)Cc1ccccc1 ZINC000419827828 484788626 /nfs/dbraw/zinc/78/86/26/484788626.db2.gz CAPMZXHKXVYAIB-UHFFFAOYSA-N 2 1 361.490 -0.272 20 0 FBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419830490 484789168 /nfs/dbraw/zinc/78/91/68/484789168.db2.gz WGINZZXPPHHQPL-AWEZNQCLSA-N 2 1 352.435 -0.298 20 0 FBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419830493 484789444 /nfs/dbraw/zinc/78/94/44/484789444.db2.gz WGINZZXPPHHQPL-CQSZACIVSA-N 2 1 352.435 -0.298 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835793 484789478 /nfs/dbraw/zinc/78/94/78/484789478.db2.gz AVLBIOINOQECNV-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835796 484789277 /nfs/dbraw/zinc/78/92/77/484789277.db2.gz AVLBIOINOQECNV-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835798 484789220 /nfs/dbraw/zinc/78/92/20/484789220.db2.gz AVLBIOINOQECNV-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835799 484789405 /nfs/dbraw/zinc/78/94/05/484789405.db2.gz AVLBIOINOQECNV-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419838653 484790245 /nfs/dbraw/zinc/79/02/45/484790245.db2.gz XZLZBYIZVRGBIF-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419838654 484790831 /nfs/dbraw/zinc/79/08/31/484790831.db2.gz XZLZBYIZVRGBIF-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000419838655 484790353 /nfs/dbraw/zinc/79/03/53/484790353.db2.gz XZLZBYIZVRGBIF-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000419838656 484790661 /nfs/dbraw/zinc/79/06/61/484790661.db2.gz XZLZBYIZVRGBIF-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419838955 484790324 /nfs/dbraw/zinc/79/03/24/484790324.db2.gz YJPOAYQRJDENEU-CVEARBPZSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419838956 484790094 /nfs/dbraw/zinc/79/00/94/484790094.db2.gz YJPOAYQRJDENEU-HOTGVXAUSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419838957 484790498 /nfs/dbraw/zinc/79/04/98/484790498.db2.gz YJPOAYQRJDENEU-HZPDHXFCSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419838958 484790578 /nfs/dbraw/zinc/79/05/78/484790578.db2.gz YJPOAYQRJDENEU-JKSUJKDBSA-N 2 1 355.527 -0.134 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842941 484792282 /nfs/dbraw/zinc/79/22/82/484792282.db2.gz IZJFTEWWBLDSHL-HNNXBMFYSA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842942 484791426 /nfs/dbraw/zinc/79/14/26/484791426.db2.gz IZJFTEWWBLDSHL-OAHLLOKOSA-N 2 1 365.478 -0.990 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419842993 484791557 /nfs/dbraw/zinc/79/15/57/484791557.db2.gz CFZDAKORKHGMTA-CALCHBBNSA-N 2 1 367.538 -0.118 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419844084 484791270 /nfs/dbraw/zinc/79/12/70/484791270.db2.gz KRAKLNISQYZNCX-UHFFFAOYSA-N 2 1 361.490 -0.007 20 0 FBADMP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419844672 484791388 /nfs/dbraw/zinc/79/13/88/484791388.db2.gz ZYWVCEYHDVKBJA-UHFFFAOYSA-N 2 1 354.373 -0.435 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847612 484791630 /nfs/dbraw/zinc/79/16/30/484791630.db2.gz TWLQDQNRJSYZDD-FXAWDEMLSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847613 484793739 /nfs/dbraw/zinc/79/37/39/484793739.db2.gz TWLQDQNRJSYZDD-PXNSSMCTSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847614 484792691 /nfs/dbraw/zinc/79/26/91/484792691.db2.gz TWLQDQNRJSYZDD-XLIONFOSSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847615 484793707 /nfs/dbraw/zinc/79/37/07/484793707.db2.gz TWLQDQNRJSYZDD-YLJYHZDGSA-N 2 1 374.485 -0.050 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419848067 484792935 /nfs/dbraw/zinc/79/29/35/484792935.db2.gz SUINUHLYCNHSQJ-IYBDPMFKSA-N 2 1 353.511 -0.271 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)(N2CCCCC2)CC1 ZINC000419849648 484793539 /nfs/dbraw/zinc/79/35/39/484793539.db2.gz ZADWJIMZGVJXNL-INIZCTEOSA-N 2 1 365.522 -0.079 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)(N2CCCCC2)CC1 ZINC000419849649 484792731 /nfs/dbraw/zinc/79/27/31/484792731.db2.gz ZADWJIMZGVJXNL-MRXNPFEDSA-N 2 1 365.522 -0.079 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419849686 484792847 /nfs/dbraw/zinc/79/28/47/484792847.db2.gz ZBYSUHQOGQBDMI-IBGZPJMESA-N 2 1 362.474 -0.193 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419849687 484792803 /nfs/dbraw/zinc/79/28/03/484792803.db2.gz ZBYSUHQOGQBDMI-LJQANCHMSA-N 2 1 362.474 -0.193 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419849816 484793780 /nfs/dbraw/zinc/79/37/80/484793780.db2.gz ZJGFGMZOVJHAKW-BBWFWOEESA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419849818 484793770 /nfs/dbraw/zinc/79/37/70/484793770.db2.gz ZJGFGMZOVJHAKW-IXDOHACOSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000419849943 484793487 /nfs/dbraw/zinc/79/34/87/484793487.db2.gz DEQASTUMRILSJQ-CVEARBPZSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000419849944 484793303 /nfs/dbraw/zinc/79/33/03/484793303.db2.gz DEQASTUMRILSJQ-HOTGVXAUSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000419849945 484793001 /nfs/dbraw/zinc/79/30/01/484793001.db2.gz DEQASTUMRILSJQ-HZPDHXFCSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000419849946 484793075 /nfs/dbraw/zinc/79/30/75/484793075.db2.gz DEQASTUMRILSJQ-JKSUJKDBSA-N 2 1 353.511 -0.366 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419850211 484793615 /nfs/dbraw/zinc/79/36/15/484793615.db2.gz DWWBHHPEAOUVNW-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419850212 484793133 /nfs/dbraw/zinc/79/31/33/484793133.db2.gz DWWBHHPEAOUVNW-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419850571 484793247 /nfs/dbraw/zinc/79/32/47/484793247.db2.gz GRGIBGWSGUWVOT-HNNXBMFYSA-N 2 1 367.519 -0.122 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419850572 484793554 /nfs/dbraw/zinc/79/35/54/484793554.db2.gz GRGIBGWSGUWVOT-OAHLLOKOSA-N 2 1 367.519 -0.122 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000419851815 484793389 /nfs/dbraw/zinc/79/33/89/484793389.db2.gz JSIILXUPYCZDHX-UHFFFAOYSA-N 2 1 365.522 -0.125 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419852349 484793417 /nfs/dbraw/zinc/79/34/17/484793417.db2.gz KZMRRIGGLRLVEA-UHFFFAOYSA-N 2 1 361.490 -0.354 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419853197 484794117 /nfs/dbraw/zinc/79/41/17/484794117.db2.gz NEABSURPQKCCHQ-UHFFFAOYSA-N 2 1 373.501 -0.428 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419853197 484794112 /nfs/dbraw/zinc/79/41/12/484794112.db2.gz NEABSURPQKCCHQ-UHFFFAOYSA-N 2 1 373.501 -0.428 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419854951 484794852 /nfs/dbraw/zinc/79/48/52/484794852.db2.gz PXZCHLVLDGNWEB-KRWDZBQOSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419854955 484794468 /nfs/dbraw/zinc/79/44/68/484794468.db2.gz PXZCHLVLDGNWEB-QGZVFWFLSA-N 2 1 365.522 -0.127 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419855261 484794277 /nfs/dbraw/zinc/79/42/77/484794277.db2.gz CUCXAPQQOMARSB-LQKXBSAESA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419855261 484794271 /nfs/dbraw/zinc/79/42/71/484794271.db2.gz CUCXAPQQOMARSB-LQKXBSAESA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419855262 484794379 /nfs/dbraw/zinc/79/43/79/484794379.db2.gz CUCXAPQQOMARSB-LUYZLQTOSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419855263 484794421 /nfs/dbraw/zinc/79/44/21/484794421.db2.gz CUCXAPQQOMARSB-VDERGJSUSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419855264 484794985 /nfs/dbraw/zinc/79/49/85/484794985.db2.gz CUCXAPQQOMARSB-XRGAULLZSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419855264 484794977 /nfs/dbraw/zinc/79/49/77/484794977.db2.gz CUCXAPQQOMARSB-XRGAULLZSA-N 2 1 352.479 -0.060 20 0 FBADMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)NCC[NH+]1CCSCC1 ZINC000419855873 484794288 /nfs/dbraw/zinc/79/42/88/484794288.db2.gz XEPHKMBOQUETCW-UHFFFAOYSA-N 2 1 365.503 -0.158 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000419857805 484794061 /nfs/dbraw/zinc/79/40/61/484794061.db2.gz VHJAMHLWMKZQAX-MSOLQXFVSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000419857808 484794795 /nfs/dbraw/zinc/79/47/95/484794795.db2.gz VHJAMHLWMKZQAX-QZTJIDSGSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000419857812 484794572 /nfs/dbraw/zinc/79/45/72/484794572.db2.gz VHJAMHLWMKZQAX-ROUUACIJSA-N 2 1 373.501 -0.041 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000419857815 484794735 /nfs/dbraw/zinc/79/47/35/484794735.db2.gz VHJAMHLWMKZQAX-ZWKOTPCHSA-N 2 1 373.501 -0.041 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858951 484795769 /nfs/dbraw/zinc/79/57/69/484795769.db2.gz IWJWONXWEJGQMP-HLLBOEOZSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858956 484795895 /nfs/dbraw/zinc/79/58/95/484795895.db2.gz IWJWONXWEJGQMP-UXLLHSPISA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859681 484795590 /nfs/dbraw/zinc/79/55/90/484795590.db2.gz ZLAMXCKBCPAOGH-AWEZNQCLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859683 484795904 /nfs/dbraw/zinc/79/59/04/484795904.db2.gz ZLAMXCKBCPAOGH-CQSZACIVSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419860241 484795716 /nfs/dbraw/zinc/79/57/16/484795716.db2.gz BLUCQOXCTQOMPZ-KRWDZBQOSA-N 2 1 367.538 -0.118 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419860242 484795538 /nfs/dbraw/zinc/79/55/38/484795538.db2.gz BLUCQOXCTQOMPZ-QGZVFWFLSA-N 2 1 367.538 -0.118 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419861074 484795663 /nfs/dbraw/zinc/79/56/63/484795663.db2.gz DEGGRYFXTSBPKD-UHFFFAOYSA-N 2 1 373.501 -0.258 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861197 484795400 /nfs/dbraw/zinc/79/54/00/484795400.db2.gz LPCIXOOGPQWPAF-CVEARBPZSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861200 484795451 /nfs/dbraw/zinc/79/54/51/484795451.db2.gz LPCIXOOGPQWPAF-HOTGVXAUSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861202 484795554 /nfs/dbraw/zinc/79/55/54/484795554.db2.gz LPCIXOOGPQWPAF-HZPDHXFCSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861204 484795376 /nfs/dbraw/zinc/79/53/76/484795376.db2.gz LPCIXOOGPQWPAF-JKSUJKDBSA-N 2 1 351.495 -0.532 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000419863093 484797121 /nfs/dbraw/zinc/79/71/21/484797121.db2.gz HKWUSZRSVPIOIP-UHFFFAOYSA-N 2 1 374.489 -0.550 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419863855 484796790 /nfs/dbraw/zinc/79/67/90/484796790.db2.gz IIZVZEDRTWUVFY-GOSISDBHSA-N 2 1 373.501 -0.259 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419863860 484796737 /nfs/dbraw/zinc/79/67/37/484796737.db2.gz IIZVZEDRTWUVFY-SFHVURJKSA-N 2 1 373.501 -0.259 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864439 484797350 /nfs/dbraw/zinc/79/73/50/484797350.db2.gz IXEYGYWRNSHPLJ-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864440 484796611 /nfs/dbraw/zinc/79/66/11/484796611.db2.gz IXEYGYWRNSHPLJ-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419864460 484796505 /nfs/dbraw/zinc/79/65/05/484796505.db2.gz IYTFCWNBKDNTQI-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419864462 484796638 /nfs/dbraw/zinc/79/66/38/484796638.db2.gz IYTFCWNBKDNTQI-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865157 484797231 /nfs/dbraw/zinc/79/72/31/484797231.db2.gz JEQAGROELOPYCT-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865159 484796896 /nfs/dbraw/zinc/79/68/96/484796896.db2.gz JEQAGROELOPYCT-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419865220 484797096 /nfs/dbraw/zinc/79/70/96/484797096.db2.gz JNUBZRGAOCQFFR-UHFFFAOYSA-N 2 1 373.501 -0.605 20 0 FBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419866386 484797015 /nfs/dbraw/zinc/79/70/15/484797015.db2.gz BAXIPIMACRRLID-INIZCTEOSA-N 2 1 359.474 -0.255 20 0 FBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419866389 484796940 /nfs/dbraw/zinc/79/69/40/484796940.db2.gz BAXIPIMACRRLID-MRXNPFEDSA-N 2 1 359.474 -0.255 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419869245 484798836 /nfs/dbraw/zinc/79/88/36/484798836.db2.gz MQMCDRGPXYYNQA-INIZCTEOSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419869247 484798425 /nfs/dbraw/zinc/79/84/25/484798425.db2.gz MQMCDRGPXYYNQA-MRXNPFEDSA-N 2 1 351.495 -0.469 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419869770 484798411 /nfs/dbraw/zinc/79/84/11/484798411.db2.gz JEEYIOKPJCZNMF-IYBDPMFKSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869946 484798478 /nfs/dbraw/zinc/79/84/78/484798478.db2.gz DDXAYHAZSUMMPJ-APWZRJJASA-N 2 1 360.458 -0.440 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869948 484797874 /nfs/dbraw/zinc/79/78/74/484797874.db2.gz DDXAYHAZSUMMPJ-LPHOPBHVSA-N 2 1 360.458 -0.440 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869951 484798006 /nfs/dbraw/zinc/79/80/06/484798006.db2.gz DDXAYHAZSUMMPJ-QFBILLFUSA-N 2 1 360.458 -0.440 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869953 484797888 /nfs/dbraw/zinc/79/78/88/484797888.db2.gz DDXAYHAZSUMMPJ-VQIMIIECSA-N 2 1 360.458 -0.440 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000419871300 484798688 /nfs/dbraw/zinc/79/86/88/484798688.db2.gz PMDBJHUYLKCIQG-UHFFFAOYSA-N 2 1 360.462 -0.940 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)(N2CCCCC2)CC1 ZINC000419872613 484799346 /nfs/dbraw/zinc/79/93/46/484799346.db2.gz UQITWWPKZSENNO-INIZCTEOSA-N 2 1 365.522 -0.094 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)(N2CCCCC2)CC1 ZINC000419872615 484799208 /nfs/dbraw/zinc/79/92/08/484799208.db2.gz UQITWWPKZSENNO-MRXNPFEDSA-N 2 1 365.522 -0.094 20 0 FBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873896 484807222 /nfs/dbraw/zinc/80/72/22/484807222.db2.gz SDHGNRNOFFBSJY-IYBDPMFKSA-N 2 1 353.511 -0.223 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419874339 484807821 /nfs/dbraw/zinc/80/78/21/484807821.db2.gz ZPTRIIVVDZNYJF-DLBZAZTESA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419874342 484807457 /nfs/dbraw/zinc/80/74/57/484807457.db2.gz ZPTRIIVVDZNYJF-IAGOWNOFSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419874347 484807666 /nfs/dbraw/zinc/80/76/66/484807666.db2.gz ZPTRIIVVDZNYJF-IRXDYDNUSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419874351 484807947 /nfs/dbraw/zinc/80/79/47/484807947.db2.gz ZPTRIIVVDZNYJF-SJORKVTESA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874903 484800063 /nfs/dbraw/zinc/80/00/63/484800063.db2.gz ULOOHQXBPGORGL-HNNXBMFYSA-N 2 1 353.511 -0.366 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874904 484799544 /nfs/dbraw/zinc/79/95/44/484799544.db2.gz ULOOHQXBPGORGL-OAHLLOKOSA-N 2 1 353.511 -0.366 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000419875434 484799459 /nfs/dbraw/zinc/79/94/59/484799459.db2.gz GZXOCRYMEGOGEC-UHFFFAOYSA-N 2 1 351.495 -0.515 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419875782 484800025 /nfs/dbraw/zinc/80/00/25/484800025.db2.gz VBZSQWHIRCDWNU-GOSISDBHSA-N 2 1 373.501 -0.211 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419875787 484799871 /nfs/dbraw/zinc/79/98/71/484799871.db2.gz VBZSQWHIRCDWNU-SFHVURJKSA-N 2 1 373.501 -0.211 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875941 484800261 /nfs/dbraw/zinc/80/02/61/484800261.db2.gz VKNWDMMUAUKKHZ-CVEARBPZSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875942 484800226 /nfs/dbraw/zinc/80/02/26/484800226.db2.gz VKNWDMMUAUKKHZ-HOTGVXAUSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875943 484799513 /nfs/dbraw/zinc/79/95/13/484799513.db2.gz VKNWDMMUAUKKHZ-HZPDHXFCSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875944 484799944 /nfs/dbraw/zinc/79/99/44/484799944.db2.gz VKNWDMMUAUKKHZ-JKSUJKDBSA-N 2 1 353.511 -0.366 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876172 484800276 /nfs/dbraw/zinc/80/02/76/484800276.db2.gz HQAUKNNBRSWHLX-GOSISDBHSA-N 2 1 373.501 -0.259 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876174 484799632 /nfs/dbraw/zinc/79/96/32/484799632.db2.gz HQAUKNNBRSWHLX-SFHVURJKSA-N 2 1 373.501 -0.259 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876656 484799760 /nfs/dbraw/zinc/79/97/60/484799760.db2.gz XUBWRLNCSGAWPQ-FXAWDEMLSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876658 484799904 /nfs/dbraw/zinc/79/99/04/484799904.db2.gz XUBWRLNCSGAWPQ-PXNSSMCTSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876660 484799238 /nfs/dbraw/zinc/79/92/38/484799238.db2.gz XUBWRLNCSGAWPQ-XLIONFOSSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876662 484799567 /nfs/dbraw/zinc/79/95/67/484799567.db2.gz XUBWRLNCSGAWPQ-YLJYHZDGSA-N 2 1 374.485 -0.065 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419878226 484800097 /nfs/dbraw/zinc/80/00/97/484800097.db2.gz YAVVPVLYQYGBHV-DOTOQJQBSA-N 2 1 363.506 -0.517 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419878233 484799993 /nfs/dbraw/zinc/79/99/93/484799993.db2.gz YAVVPVLYQYGBHV-NVXWUHKLSA-N 2 1 363.506 -0.517 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419878240 484800162 /nfs/dbraw/zinc/80/01/62/484800162.db2.gz YAVVPVLYQYGBHV-RDJZCZTQSA-N 2 1 363.506 -0.517 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419878249 484800112 /nfs/dbraw/zinc/80/01/12/484800112.db2.gz YAVVPVLYQYGBHV-WBVHZDCISA-N 2 1 363.506 -0.517 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419878724 484801702 /nfs/dbraw/zinc/80/17/02/484801702.db2.gz YHVQZAALETVTGG-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879576 484801166 /nfs/dbraw/zinc/80/11/66/484801166.db2.gz ZHWSRRFCNCSHAM-BBWFWOEESA-N 2 1 367.538 -0.120 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879578 484801736 /nfs/dbraw/zinc/80/17/36/484801736.db2.gz ZHWSRRFCNCSHAM-IXDOHACOSA-N 2 1 367.538 -0.120 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419880460 484800867 /nfs/dbraw/zinc/80/08/67/484800867.db2.gz VBWMVZOQGGBXNX-XYPWUTKMSA-N 2 1 351.495 -0.519 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419880960 484801428 /nfs/dbraw/zinc/80/14/28/484801428.db2.gz VRWRNXFJHQOUTR-UHFFFAOYSA-N 2 1 353.511 -0.221 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419882385 484801684 /nfs/dbraw/zinc/80/16/84/484801684.db2.gz XOSOTKLNPHGHFO-UHFFFAOYSA-N 2 1 361.490 -0.402 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419882584 484800767 /nfs/dbraw/zinc/80/07/67/484800767.db2.gz YADRUVPRNYJRJV-UHFFFAOYSA-N 2 1 361.490 -0.007 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419882665 484801262 /nfs/dbraw/zinc/80/12/62/484801262.db2.gz MEQGDWCVZANPTC-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419882666 484801485 /nfs/dbraw/zinc/80/14/85/484801485.db2.gz MEQGDWCVZANPTC-XHSDSOJGSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419883179 484800689 /nfs/dbraw/zinc/80/06/89/484800689.db2.gz IVVYAYWIZGKVIW-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419883179 484800680 /nfs/dbraw/zinc/80/06/80/484800680.db2.gz IVVYAYWIZGKVIW-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419883181 484800520 /nfs/dbraw/zinc/80/05/20/484800520.db2.gz IVVYAYWIZGKVIW-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419883181 484800513 /nfs/dbraw/zinc/80/05/13/484800513.db2.gz IVVYAYWIZGKVIW-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419883183 484801322 /nfs/dbraw/zinc/80/13/22/484801322.db2.gz IVVYAYWIZGKVIW-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419883183 484801316 /nfs/dbraw/zinc/80/13/16/484801316.db2.gz IVVYAYWIZGKVIW-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419883185 484801723 /nfs/dbraw/zinc/80/17/23/484801723.db2.gz IVVYAYWIZGKVIW-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419883185 484801718 /nfs/dbraw/zinc/80/17/18/484801718.db2.gz IVVYAYWIZGKVIW-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419883463 484801641 /nfs/dbraw/zinc/80/16/41/484801641.db2.gz NDWFLPSZGVYOCW-GFCCVEGCSA-N 2 1 366.384 -0.422 20 0 FBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419883469 484801211 /nfs/dbraw/zinc/80/12/11/484801211.db2.gz NDWFLPSZGVYOCW-LBPRGKRZSA-N 2 1 366.384 -0.422 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000419890170 484802361 /nfs/dbraw/zinc/80/23/61/484802361.db2.gz IBUWWEGWTSFTSB-INIZCTEOSA-N 2 1 365.522 -0.079 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000419890173 484801979 /nfs/dbraw/zinc/80/19/79/484801979.db2.gz IBUWWEGWTSFTSB-MRXNPFEDSA-N 2 1 365.522 -0.079 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419890576 484802486 /nfs/dbraw/zinc/80/24/86/484802486.db2.gz ISAMEYPGXHXRNJ-BBWFWOEESA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419890579 484802402 /nfs/dbraw/zinc/80/24/02/484802402.db2.gz ISAMEYPGXHXRNJ-IXDOHACOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419891083 484802210 /nfs/dbraw/zinc/80/22/10/484802210.db2.gz MUVCXTKQKFRQAV-IBGZPJMESA-N 2 1 362.474 -0.193 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419891085 484802783 /nfs/dbraw/zinc/80/27/83/484802783.db2.gz MUVCXTKQKFRQAV-LJQANCHMSA-N 2 1 362.474 -0.193 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893165 484803461 /nfs/dbraw/zinc/80/34/61/484803461.db2.gz LXESXEHZHSUYPD-FXAWDEMLSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893168 484803297 /nfs/dbraw/zinc/80/32/97/484803297.db2.gz LXESXEHZHSUYPD-PXNSSMCTSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893171 484803252 /nfs/dbraw/zinc/80/32/52/484803252.db2.gz LXESXEHZHSUYPD-XLIONFOSSA-N 2 1 374.485 -0.050 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893173 484804101 /nfs/dbraw/zinc/80/41/01/484804101.db2.gz LXESXEHZHSUYPD-YLJYHZDGSA-N 2 1 374.485 -0.050 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419893456 484803750 /nfs/dbraw/zinc/80/37/50/484803750.db2.gz MDNXPSGBFVGFQI-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419893458 484803854 /nfs/dbraw/zinc/80/38/54/484803854.db2.gz MDNXPSGBFVGFQI-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419893461 484803779 /nfs/dbraw/zinc/80/37/79/484803779.db2.gz MDNXPSGBFVGFQI-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419893463 484803328 /nfs/dbraw/zinc/80/33/28/484803328.db2.gz MDNXPSGBFVGFQI-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419893633 484803585 /nfs/dbraw/zinc/80/35/85/484803585.db2.gz KODRSXVHPFKNAK-UHFFFAOYSA-N 2 1 354.373 -0.565 20 0 FBADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419894140 484803939 /nfs/dbraw/zinc/80/39/39/484803939.db2.gz WDZKXDIHFREKPI-UHFFFAOYSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419894649 484804002 /nfs/dbraw/zinc/80/40/02/484804002.db2.gz NYPLQRFPZNUQIN-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419894651 484803228 /nfs/dbraw/zinc/80/32/28/484803228.db2.gz NYPLQRFPZNUQIN-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419894651 484803223 /nfs/dbraw/zinc/80/32/23/484803223.db2.gz NYPLQRFPZNUQIN-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419894652 484803717 /nfs/dbraw/zinc/80/37/17/484803717.db2.gz NYPLQRFPZNUQIN-QXSJWSMHSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419894652 484803714 /nfs/dbraw/zinc/80/37/14/484803714.db2.gz NYPLQRFPZNUQIN-QXSJWSMHSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419894654 484804022 /nfs/dbraw/zinc/80/40/22/484804022.db2.gz NYPLQRFPZNUQIN-WCVJEAGWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419897263 484803797 /nfs/dbraw/zinc/80/37/97/484803797.db2.gz QMMASONVWRXZFL-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419897263 484803794 /nfs/dbraw/zinc/80/37/94/484803794.db2.gz QMMASONVWRXZFL-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419897265 484804132 /nfs/dbraw/zinc/80/41/32/484804132.db2.gz QMMASONVWRXZFL-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419897265 484804126 /nfs/dbraw/zinc/80/41/26/484804126.db2.gz QMMASONVWRXZFL-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419897268 484803344 /nfs/dbraw/zinc/80/33/44/484803344.db2.gz QMMASONVWRXZFL-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419897268 484803341 /nfs/dbraw/zinc/80/33/41/484803341.db2.gz QMMASONVWRXZFL-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419897270 484803877 /nfs/dbraw/zinc/80/38/77/484803877.db2.gz QMMASONVWRXZFL-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419897270 484803867 /nfs/dbraw/zinc/80/38/67/484803867.db2.gz QMMASONVWRXZFL-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419902227 484805415 /nfs/dbraw/zinc/80/54/15/484805415.db2.gz CIXPCUGPMFIMQI-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419902229 484804866 /nfs/dbraw/zinc/80/48/66/484804866.db2.gz CIXPCUGPMFIMQI-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419902231 484804794 /nfs/dbraw/zinc/80/47/94/484804794.db2.gz CIXPCUGPMFIMQI-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419902231 484804789 /nfs/dbraw/zinc/80/47/89/484804789.db2.gz CIXPCUGPMFIMQI-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419902233 484805101 /nfs/dbraw/zinc/80/51/01/484805101.db2.gz CIXPCUGPMFIMQI-QXSJWSMHSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419902233 484805096 /nfs/dbraw/zinc/80/50/96/484805096.db2.gz CIXPCUGPMFIMQI-QXSJWSMHSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419911477 484806454 /nfs/dbraw/zinc/80/64/54/484806454.db2.gz CIXPCUGPMFIMQI-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419911477 484806449 /nfs/dbraw/zinc/80/64/49/484806449.db2.gz CIXPCUGPMFIMQI-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419911478 484806350 /nfs/dbraw/zinc/80/63/50/484806350.db2.gz CIXPCUGPMFIMQI-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419911479 484806779 /nfs/dbraw/zinc/80/67/79/484806779.db2.gz CIXPCUGPMFIMQI-WCVJEAGWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419911480 484805999 /nfs/dbraw/zinc/80/59/99/484805999.db2.gz CIXPCUGPMFIMQI-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419911480 484805991 /nfs/dbraw/zinc/80/59/91/484805991.db2.gz CIXPCUGPMFIMQI-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419913240 484806386 /nfs/dbraw/zinc/80/63/86/484806386.db2.gz YSBOAPRUCNNTOJ-SJPCQFCGSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419913530 484806045 /nfs/dbraw/zinc/80/60/45/484806045.db2.gz NATONLBJEITTRA-DLBZAZTESA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419913532 484805801 /nfs/dbraw/zinc/80/58/01/484805801.db2.gz NATONLBJEITTRA-IAGOWNOFSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419913534 484806329 /nfs/dbraw/zinc/80/63/29/484806329.db2.gz NATONLBJEITTRA-IRXDYDNUSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419913536 484806257 /nfs/dbraw/zinc/80/62/57/484806257.db2.gz NATONLBJEITTRA-SJORKVTESA-N 2 1 365.522 -0.269 20 0 FBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419914819 484806124 /nfs/dbraw/zinc/80/61/24/484806124.db2.gz CIPZAFAIZZCILU-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419914820 484805885 /nfs/dbraw/zinc/80/58/85/484805885.db2.gz CIPZAFAIZZCILU-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000419930190 484810163 /nfs/dbraw/zinc/81/01/63/484810163.db2.gz XPPHEKBZEWCNCZ-UHFFFAOYSA-N 2 1 373.501 -0.402 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934892 484810179 /nfs/dbraw/zinc/81/01/79/484810179.db2.gz ICMLOUCLZGBXOO-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934893 484810504 /nfs/dbraw/zinc/81/05/04/484810504.db2.gz ICMLOUCLZGBXOO-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000419936399 484810928 /nfs/dbraw/zinc/81/09/28/484810928.db2.gz UEQHBDSCDRWVKK-DOTOQJQBSA-N 2 1 360.458 -0.017 20 0 FBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000419936400 484810709 /nfs/dbraw/zinc/81/07/09/484810709.db2.gz UEQHBDSCDRWVKK-NVXWUHKLSA-N 2 1 360.458 -0.017 20 0 FBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000419936402 484810438 /nfs/dbraw/zinc/81/04/38/484810438.db2.gz UEQHBDSCDRWVKK-RDJZCZTQSA-N 2 1 360.458 -0.017 20 0 FBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000419936403 484810386 /nfs/dbraw/zinc/81/03/86/484810386.db2.gz UEQHBDSCDRWVKK-WBVHZDCISA-N 2 1 360.458 -0.017 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419937645 484810750 /nfs/dbraw/zinc/81/07/50/484810750.db2.gz GHYUXOHRWNUVAU-HRCADAONSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419937646 484810268 /nfs/dbraw/zinc/81/02/68/484810268.db2.gz GHYUXOHRWNUVAU-OAGGEKHMSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419942403 484812419 /nfs/dbraw/zinc/81/24/19/484812419.db2.gz ZQOHVEHARZNCPW-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419942404 484811702 /nfs/dbraw/zinc/81/17/02/484811702.db2.gz ZQOHVEHARZNCPW-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419946863 484811352 /nfs/dbraw/zinc/81/13/52/484811352.db2.gz VOTGVAIJYGGUMU-INIZCTEOSA-N 2 1 361.490 -0.022 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419946864 484811325 /nfs/dbraw/zinc/81/13/25/484811325.db2.gz VOTGVAIJYGGUMU-MRXNPFEDSA-N 2 1 361.490 -0.022 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000419948766 484812458 /nfs/dbraw/zinc/81/24/58/484812458.db2.gz GFKBGGWYDSCTTF-HNNXBMFYSA-N 2 1 355.527 -0.040 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000419948766 484812453 /nfs/dbraw/zinc/81/24/53/484812453.db2.gz GFKBGGWYDSCTTF-HNNXBMFYSA-N 2 1 355.527 -0.040 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000419948767 484812103 /nfs/dbraw/zinc/81/21/03/484812103.db2.gz GFKBGGWYDSCTTF-OAHLLOKOSA-N 2 1 355.527 -0.040 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000419948767 484812096 /nfs/dbraw/zinc/81/20/96/484812096.db2.gz GFKBGGWYDSCTTF-OAHLLOKOSA-N 2 1 355.527 -0.040 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419950320 484813340 /nfs/dbraw/zinc/81/33/40/484813340.db2.gz HCGPVKSTTOTCDE-HNNXBMFYSA-N 2 1 353.511 -0.236 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419950321 484813122 /nfs/dbraw/zinc/81/31/22/484813122.db2.gz HCGPVKSTTOTCDE-OAHLLOKOSA-N 2 1 353.511 -0.236 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419950689 484813239 /nfs/dbraw/zinc/81/32/39/484813239.db2.gz ITSZZFHOTFXJEE-CABCVRRESA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419950690 484813609 /nfs/dbraw/zinc/81/36/09/484813609.db2.gz ITSZZFHOTFXJEE-GJZGRUSLSA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419950958 484814175 /nfs/dbraw/zinc/81/41/75/484814175.db2.gz ITSZZFHOTFXJEE-HUUCEWRRSA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419950959 484813682 /nfs/dbraw/zinc/81/36/82/484813682.db2.gz ITSZZFHOTFXJEE-LSDHHAIUSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419952459 484813518 /nfs/dbraw/zinc/81/35/18/484813518.db2.gz JTYLHBZPNLPYDV-GFCCVEGCSA-N 2 1 368.400 -0.189 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419952464 484813793 /nfs/dbraw/zinc/81/37/93/484813793.db2.gz JTYLHBZPNLPYDV-LBPRGKRZSA-N 2 1 368.400 -0.189 20 0 FBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419952622 484813503 /nfs/dbraw/zinc/81/35/03/484813503.db2.gz OTJBEFBZEQXEBS-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419952623 484813758 /nfs/dbraw/zinc/81/37/58/484813758.db2.gz OTJBEFBZEQXEBS-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419952624 484813554 /nfs/dbraw/zinc/81/35/54/484813554.db2.gz OTJBEFBZEQXEBS-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419952625 484814117 /nfs/dbraw/zinc/81/41/17/484814117.db2.gz OTJBEFBZEQXEBS-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000419953418 484813819 /nfs/dbraw/zinc/81/38/19/484813819.db2.gz LCHBIVQICCUDBP-AWEZNQCLSA-N 2 1 355.483 -0.902 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000419953419 484813951 /nfs/dbraw/zinc/81/39/51/484813951.db2.gz LCHBIVQICCUDBP-CQSZACIVSA-N 2 1 355.483 -0.902 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955461 484813445 /nfs/dbraw/zinc/81/34/45/484813445.db2.gz RQRYWPNMCLMAFX-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955462 484814207 /nfs/dbraw/zinc/81/42/07/484814207.db2.gz RQRYWPNMCLMAFX-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419955897 484813654 /nfs/dbraw/zinc/81/36/54/484813654.db2.gz SDOHASOJIWVGHL-PMRDEQMMSA-N 2 1 365.522 -0.273 20 0 FBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419955898 484813983 /nfs/dbraw/zinc/81/39/83/484813983.db2.gz SDOHASOJIWVGHL-VPSFDDGASA-N 2 1 365.522 -0.273 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419956989 484814057 /nfs/dbraw/zinc/81/40/57/484814057.db2.gz USWVRIWZTKMSOB-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419956989 484814053 /nfs/dbraw/zinc/81/40/53/484814053.db2.gz USWVRIWZTKMSOB-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419956991 658944722 /nfs/dbraw/zinc/94/47/22/658944722.db2.gz USWVRIWZTKMSOB-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419956991 658944719 /nfs/dbraw/zinc/94/47/19/658944719.db2.gz USWVRIWZTKMSOB-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419961618 484809017 /nfs/dbraw/zinc/80/90/17/484809017.db2.gz UFRXOJCHAXWHNR-BEFAXECRSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419961623 484808898 /nfs/dbraw/zinc/80/88/98/484808898.db2.gz UFRXOJCHAXWHNR-DNVCBOLYSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419961625 484808661 /nfs/dbraw/zinc/80/86/61/484808661.db2.gz UFRXOJCHAXWHNR-HNAYVOBHSA-N 2 1 362.474 -0.207 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419961629 484809373 /nfs/dbraw/zinc/80/93/73/484809373.db2.gz UFRXOJCHAXWHNR-KXBFYZLASA-N 2 1 362.474 -0.207 20 0 FBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419963063 484808979 /nfs/dbraw/zinc/80/89/79/484808979.db2.gz YLKAAIAJGRSEND-YESZJQIVSA-N 2 1 367.538 -0.025 20 0 FBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419963064 484808928 /nfs/dbraw/zinc/80/89/28/484808928.db2.gz YLKAAIAJGRSEND-ZACQAIPSSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419971636 484818544 /nfs/dbraw/zinc/81/85/44/484818544.db2.gz GHQIPYGHBDBEBB-FCLJQHQZSA-N 2 1 365.522 -0.145 20 0 FBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000419971637 484818497 /nfs/dbraw/zinc/81/84/97/484818497.db2.gz GHQIPYGHBDBEBB-WFVVYAPDSA-N 2 1 365.522 -0.145 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419975887 484819946 /nfs/dbraw/zinc/81/99/46/484819946.db2.gz KKNGQBTWCNDRQK-HNNXBMFYSA-N 2 1 354.495 -0.075 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419975888 484819085 /nfs/dbraw/zinc/81/90/85/484819085.db2.gz KKNGQBTWCNDRQK-OAHLLOKOSA-N 2 1 354.495 -0.075 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419984139 484820495 /nfs/dbraw/zinc/82/04/95/484820495.db2.gz DADSGLGMTFEKFU-GFCCVEGCSA-N 2 1 368.400 -0.047 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419984140 484821242 /nfs/dbraw/zinc/82/12/42/484821242.db2.gz DADSGLGMTFEKFU-LBPRGKRZSA-N 2 1 368.400 -0.047 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419987494 484821195 /nfs/dbraw/zinc/82/11/95/484821195.db2.gz DRIRKXREUZNQFA-BEFAXECRSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419987496 484821159 /nfs/dbraw/zinc/82/11/59/484821159.db2.gz DRIRKXREUZNQFA-DNVCBOLYSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419987498 484820893 /nfs/dbraw/zinc/82/08/93/484820893.db2.gz DRIRKXREUZNQFA-HNAYVOBHSA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419987501 484820515 /nfs/dbraw/zinc/82/05/15/484820515.db2.gz DRIRKXREUZNQFA-KXBFYZLASA-N 2 1 362.474 -0.065 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419988343 484820798 /nfs/dbraw/zinc/82/07/98/484820798.db2.gz HUYHPOSUNVGBQM-HRCADAONSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419988345 484821133 /nfs/dbraw/zinc/82/11/33/484821133.db2.gz HUYHPOSUNVGBQM-OAGGEKHMSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419995591 484822158 /nfs/dbraw/zinc/82/21/58/484822158.db2.gz IADUFYNVHRMBMR-CABCVRRESA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419995591 484822152 /nfs/dbraw/zinc/82/21/52/484822152.db2.gz IADUFYNVHRMBMR-CABCVRRESA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419995593 484822553 /nfs/dbraw/zinc/82/25/53/484822553.db2.gz IADUFYNVHRMBMR-GJZGRUSLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419995593 484822547 /nfs/dbraw/zinc/82/25/47/484822547.db2.gz IADUFYNVHRMBMR-GJZGRUSLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419995595 484822239 /nfs/dbraw/zinc/82/22/39/484822239.db2.gz IADUFYNVHRMBMR-HUUCEWRRSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419995595 484822237 /nfs/dbraw/zinc/82/22/37/484822237.db2.gz IADUFYNVHRMBMR-HUUCEWRRSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419995596 484822361 /nfs/dbraw/zinc/82/23/61/484822361.db2.gz IADUFYNVHRMBMR-LSDHHAIUSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419995596 484822358 /nfs/dbraw/zinc/82/23/58/484822358.db2.gz IADUFYNVHRMBMR-LSDHHAIUSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419998534 484822308 /nfs/dbraw/zinc/82/23/08/484822308.db2.gz LUEHBIFATSXKEJ-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419998536 484822318 /nfs/dbraw/zinc/82/23/18/484822318.db2.gz LUEHBIFATSXKEJ-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419999417 484821998 /nfs/dbraw/zinc/82/19/98/484821998.db2.gz OMSPVUXHPPAWBA-CVEARBPZSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419999419 484822026 /nfs/dbraw/zinc/82/20/26/484822026.db2.gz OMSPVUXHPPAWBA-HOTGVXAUSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419999422 484822428 /nfs/dbraw/zinc/82/24/28/484822428.db2.gz OMSPVUXHPPAWBA-HZPDHXFCSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419999424 484822642 /nfs/dbraw/zinc/82/26/42/484822642.db2.gz OMSPVUXHPPAWBA-JKSUJKDBSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000420001239 484814937 /nfs/dbraw/zinc/81/49/37/484814937.db2.gz PQMQGNUNZLTIBA-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000420001239 484814932 /nfs/dbraw/zinc/81/49/32/484814932.db2.gz PQMQGNUNZLTIBA-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000420001241 484815223 /nfs/dbraw/zinc/81/52/23/484815223.db2.gz PQMQGNUNZLTIBA-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000420001241 484815219 /nfs/dbraw/zinc/81/52/19/484815219.db2.gz PQMQGNUNZLTIBA-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000420001242 484815248 /nfs/dbraw/zinc/81/52/48/484815248.db2.gz PQMQGNUNZLTIBA-HRCADAONSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000420001242 484815245 /nfs/dbraw/zinc/81/52/45/484815245.db2.gz PQMQGNUNZLTIBA-HRCADAONSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000420001244 484815273 /nfs/dbraw/zinc/81/52/73/484815273.db2.gz PQMQGNUNZLTIBA-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000420001244 484815270 /nfs/dbraw/zinc/81/52/70/484815270.db2.gz PQMQGNUNZLTIBA-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420002060 484814755 /nfs/dbraw/zinc/81/47/55/484814755.db2.gz QVJAMTZEZWCORL-CABCVRRESA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420002060 484814749 /nfs/dbraw/zinc/81/47/49/484814749.db2.gz QVJAMTZEZWCORL-CABCVRRESA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420002061 484815625 /nfs/dbraw/zinc/81/56/25/484815625.db2.gz QVJAMTZEZWCORL-GJZGRUSLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420002061 484815619 /nfs/dbraw/zinc/81/56/19/484815619.db2.gz QVJAMTZEZWCORL-GJZGRUSLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420002062 484814679 /nfs/dbraw/zinc/81/46/79/484814679.db2.gz QVJAMTZEZWCORL-HUUCEWRRSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420002062 484814674 /nfs/dbraw/zinc/81/46/74/484814674.db2.gz QVJAMTZEZWCORL-HUUCEWRRSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420002063 484814844 /nfs/dbraw/zinc/81/48/44/484814844.db2.gz QVJAMTZEZWCORL-LSDHHAIUSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420002063 484814838 /nfs/dbraw/zinc/81/48/38/484814838.db2.gz QVJAMTZEZWCORL-LSDHHAIUSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420004747 484815347 /nfs/dbraw/zinc/81/53/47/484815347.db2.gz BFTLQDTWSJHWST-LLVKDONJSA-N 2 1 354.373 -0.437 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420004748 484815498 /nfs/dbraw/zinc/81/54/98/484815498.db2.gz BFTLQDTWSJHWST-NSHDSACASA-N 2 1 354.373 -0.437 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420007214 484815407 /nfs/dbraw/zinc/81/54/07/484815407.db2.gz ZEKKDGCRUPDHMH-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420007215 484815043 /nfs/dbraw/zinc/81/50/43/484815043.db2.gz ZEKKDGCRUPDHMH-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420007216 484814877 /nfs/dbraw/zinc/81/48/77/484814877.db2.gz ZEKKDGCRUPDHMH-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420007217 484815055 /nfs/dbraw/zinc/81/50/55/484815055.db2.gz ZEKKDGCRUPDHMH-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420012561 484816914 /nfs/dbraw/zinc/81/69/14/484816914.db2.gz BEGFHJGWNKEDAI-HRCADAONSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420012562 484816579 /nfs/dbraw/zinc/81/65/79/484816579.db2.gz BEGFHJGWNKEDAI-JYJNAYRXSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420012563 484816887 /nfs/dbraw/zinc/81/68/87/484816887.db2.gz BEGFHJGWNKEDAI-OWCLPIDISA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420012564 484816817 /nfs/dbraw/zinc/81/68/17/484816817.db2.gz BEGFHJGWNKEDAI-PMPSAXMXSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000420015176 484816532 /nfs/dbraw/zinc/81/65/32/484816532.db2.gz PQNKDRJJJNQOHL-MRXNPFEDSA-N 2 1 361.490 -0.274 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024543 484828737 /nfs/dbraw/zinc/82/87/37/484828737.db2.gz BFJMXEDQWYPACH-BARDWOONSA-N 2 1 370.494 -0.169 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024551 484827889 /nfs/dbraw/zinc/82/78/89/484827889.db2.gz BFJMXEDQWYPACH-XGUBFFRZSA-N 2 1 370.494 -0.169 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000420027930 484830186 /nfs/dbraw/zinc/83/01/86/484830186.db2.gz CYVWAKVZITUIIF-CHWSQXEVSA-N 2 1 356.467 -0.869 20 0 FBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000420027935 484830202 /nfs/dbraw/zinc/83/02/02/484830202.db2.gz CYVWAKVZITUIIF-OLZOCXBDSA-N 2 1 356.467 -0.869 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000420027937 484829558 /nfs/dbraw/zinc/82/95/58/484829558.db2.gz CYVWAKVZITUIIF-QWHCGFSZSA-N 2 1 356.467 -0.869 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000420027940 484830552 /nfs/dbraw/zinc/83/05/52/484830552.db2.gz CYVWAKVZITUIIF-STQMWFEESA-N 2 1 356.467 -0.869 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000420030457 484829437 /nfs/dbraw/zinc/82/94/37/484829437.db2.gz PQNKDRJJJNQOHL-INIZCTEOSA-N 2 1 361.490 -0.274 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420038560 484831830 /nfs/dbraw/zinc/83/18/30/484831830.db2.gz NADPBDNWPIWPJR-KKUMJFAQSA-N 2 1 368.478 -0.604 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420038562 484831239 /nfs/dbraw/zinc/83/12/39/484831239.db2.gz NADPBDNWPIWPJR-RRFJBIMHSA-N 2 1 368.478 -0.604 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420038564 484831453 /nfs/dbraw/zinc/83/14/53/484831453.db2.gz NADPBDNWPIWPJR-SOUVJXGZSA-N 2 1 368.478 -0.604 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420038566 484831363 /nfs/dbraw/zinc/83/13/63/484831363.db2.gz NADPBDNWPIWPJR-ZNMIVQPWSA-N 2 1 368.478 -0.604 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000420048060 484823519 /nfs/dbraw/zinc/82/35/19/484823519.db2.gz DNMOYWGHAOKTPP-DZGCQCFKSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420048060 484823516 /nfs/dbraw/zinc/82/35/16/484823516.db2.gz DNMOYWGHAOKTPP-DZGCQCFKSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000420048061 658944902 /nfs/dbraw/zinc/94/49/02/658944902.db2.gz DNMOYWGHAOKTPP-HIFRSBDPSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420048061 658944897 /nfs/dbraw/zinc/94/48/97/658944897.db2.gz DNMOYWGHAOKTPP-HIFRSBDPSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000420048062 484823785 /nfs/dbraw/zinc/82/37/85/484823785.db2.gz DNMOYWGHAOKTPP-UKRRQHHQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420048062 484823780 /nfs/dbraw/zinc/82/37/80/484823780.db2.gz DNMOYWGHAOKTPP-UKRRQHHQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000420048063 484823485 /nfs/dbraw/zinc/82/34/85/484823485.db2.gz DNMOYWGHAOKTPP-ZFWWWQNUSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420048063 484823482 /nfs/dbraw/zinc/82/34/82/484823482.db2.gz DNMOYWGHAOKTPP-ZFWWWQNUSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420052319 484825672 /nfs/dbraw/zinc/82/56/72/484825672.db2.gz FMTMAJXLIHKDED-ILXRZTDVSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420052319 484825667 /nfs/dbraw/zinc/82/56/67/484825667.db2.gz FMTMAJXLIHKDED-ILXRZTDVSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420052320 484825310 /nfs/dbraw/zinc/82/53/10/484825310.db2.gz FMTMAJXLIHKDED-KFWWJZLASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420052320 484825307 /nfs/dbraw/zinc/82/53/07/484825307.db2.gz FMTMAJXLIHKDED-KFWWJZLASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420052321 484825204 /nfs/dbraw/zinc/82/52/04/484825204.db2.gz FMTMAJXLIHKDED-QLFBSQMISA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420052321 484825200 /nfs/dbraw/zinc/82/52/00/484825200.db2.gz FMTMAJXLIHKDED-QLFBSQMISA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420052322 484825524 /nfs/dbraw/zinc/82/55/24/484825524.db2.gz FMTMAJXLIHKDED-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420052322 484825522 /nfs/dbraw/zinc/82/55/22/484825522.db2.gz FMTMAJXLIHKDED-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420054014 484825784 /nfs/dbraw/zinc/82/57/84/484825784.db2.gz FEZFUKPQRHDHDT-LQKXBSAESA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420054014 484825780 /nfs/dbraw/zinc/82/57/80/484825780.db2.gz FEZFUKPQRHDHDT-LQKXBSAESA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000420054017 484825365 /nfs/dbraw/zinc/82/53/65/484825365.db2.gz FEZFUKPQRHDHDT-LUYZLQTOSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000420054019 484824884 /nfs/dbraw/zinc/82/48/84/484824884.db2.gz FEZFUKPQRHDHDT-VDERGJSUSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420054021 484825547 /nfs/dbraw/zinc/82/55/47/484825547.db2.gz FEZFUKPQRHDHDT-XRGAULLZSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420054021 484825541 /nfs/dbraw/zinc/82/55/41/484825541.db2.gz FEZFUKPQRHDHDT-XRGAULLZSA-N 2 1 352.479 -0.060 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420054595 484824908 /nfs/dbraw/zinc/82/49/08/484824908.db2.gz LEUFKKZJVCJYGG-HNNXBMFYSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420054597 484825591 /nfs/dbraw/zinc/82/55/91/484825591.db2.gz LEUFKKZJVCJYGG-OAHLLOKOSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420057615 484825321 /nfs/dbraw/zinc/82/53/21/484825321.db2.gz NGKWLORGQJPXSK-GASCZTMLSA-N 2 1 353.511 -0.143 20 0 FBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420060984 484826358 /nfs/dbraw/zinc/82/63/58/484826358.db2.gz QWSUQCXNBLXRPU-UHFFFAOYSA-N 2 1 368.400 -0.047 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420061257 484827065 /nfs/dbraw/zinc/82/70/65/484827065.db2.gz LETFKIRHNWXUDA-HLLBOEOZSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420061263 484826950 /nfs/dbraw/zinc/82/69/50/484826950.db2.gz LETFKIRHNWXUDA-UXLLHSPISA-N 2 1 365.522 -0.143 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064650 484827313 /nfs/dbraw/zinc/82/73/13/484827313.db2.gz OWFLLTJCXLYLOK-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064652 484826966 /nfs/dbraw/zinc/82/69/66/484826966.db2.gz OWFLLTJCXLYLOK-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064654 484826571 /nfs/dbraw/zinc/82/65/71/484826571.db2.gz OWFLLTJCXLYLOK-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064655 484826871 /nfs/dbraw/zinc/82/68/71/484826871.db2.gz OWFLLTJCXLYLOK-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065752 484826455 /nfs/dbraw/zinc/82/64/55/484826455.db2.gz QCFUFUYELNGGAA-FXAWDEMLSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065753 484826811 /nfs/dbraw/zinc/82/68/11/484826811.db2.gz QCFUFUYELNGGAA-PXNSSMCTSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065755 484827002 /nfs/dbraw/zinc/82/70/02/484827002.db2.gz QCFUFUYELNGGAA-XLIONFOSSA-N 2 1 374.485 -0.065 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065756 484826642 /nfs/dbraw/zinc/82/66/42/484826642.db2.gz QCFUFUYELNGGAA-YLJYHZDGSA-N 2 1 374.485 -0.065 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NCC(C)(C)[NH3+])(N2CCCCC2)CC1 ZINC000420065970 484826793 /nfs/dbraw/zinc/82/67/93/484826793.db2.gz YENURGLAMYKSKI-UHFFFAOYSA-N 2 1 353.511 -0.094 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420066265 484826402 /nfs/dbraw/zinc/82/64/02/484826402.db2.gz WJXUMEKURACDOJ-DZGCQCFKSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420066265 484826397 /nfs/dbraw/zinc/82/63/97/484826397.db2.gz WJXUMEKURACDOJ-DZGCQCFKSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420066266 484827267 /nfs/dbraw/zinc/82/72/67/484827267.db2.gz WJXUMEKURACDOJ-HIFRSBDPSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420066266 484827261 /nfs/dbraw/zinc/82/72/61/484827261.db2.gz WJXUMEKURACDOJ-HIFRSBDPSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420066267 484826556 /nfs/dbraw/zinc/82/65/56/484826556.db2.gz WJXUMEKURACDOJ-UKRRQHHQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420066267 484826551 /nfs/dbraw/zinc/82/65/51/484826551.db2.gz WJXUMEKURACDOJ-UKRRQHHQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420066268 484826756 /nfs/dbraw/zinc/82/67/56/484826756.db2.gz WJXUMEKURACDOJ-ZFWWWQNUSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420066268 484826749 /nfs/dbraw/zinc/82/67/49/484826749.db2.gz WJXUMEKURACDOJ-ZFWWWQNUSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420066451 484827131 /nfs/dbraw/zinc/82/71/31/484827131.db2.gz QRSMCDOMYRICAO-HZSPNIEDSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420066451 484827127 /nfs/dbraw/zinc/82/71/27/484827127.db2.gz QRSMCDOMYRICAO-HZSPNIEDSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420066452 484827392 /nfs/dbraw/zinc/82/73/92/484827392.db2.gz QRSMCDOMYRICAO-IHRRRGAJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420066452 484827385 /nfs/dbraw/zinc/82/73/85/484827385.db2.gz QRSMCDOMYRICAO-IHRRRGAJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420066453 484826421 /nfs/dbraw/zinc/82/64/21/484826421.db2.gz QRSMCDOMYRICAO-MELADBBJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420066453 484826418 /nfs/dbraw/zinc/82/64/18/484826418.db2.gz QRSMCDOMYRICAO-MELADBBJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420066454 484827235 /nfs/dbraw/zinc/82/72/35/484827235.db2.gz QRSMCDOMYRICAO-RDBSUJKOSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420066454 484827230 /nfs/dbraw/zinc/82/72/30/484827230.db2.gz QRSMCDOMYRICAO-RDBSUJKOSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000420067040 484828714 /nfs/dbraw/zinc/82/87/14/484828714.db2.gz RJCJPTKIHCWVLA-ILXRZTDVSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000420067040 484828704 /nfs/dbraw/zinc/82/87/04/484828704.db2.gz RJCJPTKIHCWVLA-ILXRZTDVSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000420067042 484828204 /nfs/dbraw/zinc/82/82/04/484828204.db2.gz RJCJPTKIHCWVLA-KFWWJZLASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000420067042 484828201 /nfs/dbraw/zinc/82/82/01/484828201.db2.gz RJCJPTKIHCWVLA-KFWWJZLASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000420067044 484828628 /nfs/dbraw/zinc/82/86/28/484828628.db2.gz RJCJPTKIHCWVLA-QLFBSQMISA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000420067044 484828621 /nfs/dbraw/zinc/82/86/21/484828621.db2.gz RJCJPTKIHCWVLA-QLFBSQMISA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000420067046 484828959 /nfs/dbraw/zinc/82/89/59/484828959.db2.gz RJCJPTKIHCWVLA-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000420067046 484828953 /nfs/dbraw/zinc/82/89/53/484828953.db2.gz RJCJPTKIHCWVLA-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)(N2CCCCC2)CC1 ZINC000420071054 484828282 /nfs/dbraw/zinc/82/82/82/484828282.db2.gz XIYCUBAECGZWES-INIZCTEOSA-N 2 1 365.522 -0.094 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)(N2CCCCC2)CC1 ZINC000420071055 484828467 /nfs/dbraw/zinc/82/84/67/484828467.db2.gz XIYCUBAECGZWES-MRXNPFEDSA-N 2 1 365.522 -0.094 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000420074413 484833036 /nfs/dbraw/zinc/83/30/36/484833036.db2.gz ZLJHMSKEKPAWNR-HZSPNIEDSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000420074414 484832506 /nfs/dbraw/zinc/83/25/06/484832506.db2.gz ZLJHMSKEKPAWNR-IHRRRGAJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000420074415 484833195 /nfs/dbraw/zinc/83/31/95/484833195.db2.gz ZLJHMSKEKPAWNR-MELADBBJSA-N 2 1 370.494 -0.481 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000420074416 484832451 /nfs/dbraw/zinc/83/24/51/484832451.db2.gz ZLJHMSKEKPAWNR-RDBSUJKOSA-N 2 1 370.494 -0.481 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000420075489 484832956 /nfs/dbraw/zinc/83/29/56/484832956.db2.gz SQTLNBZIMMQUOC-GDBMZVCRSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000420075490 484832412 /nfs/dbraw/zinc/83/24/12/484832412.db2.gz SQTLNBZIMMQUOC-GOEBONIOSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000420075491 484833284 /nfs/dbraw/zinc/83/32/84/484833284.db2.gz SQTLNBZIMMQUOC-HOCLYGCPSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000420075492 484833022 /nfs/dbraw/zinc/83/30/22/484833022.db2.gz SQTLNBZIMMQUOC-ZBFHGGJFSA-N 2 1 352.479 -0.199 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000420079365 484833863 /nfs/dbraw/zinc/83/38/63/484833863.db2.gz HQSRNDRGJHMPSW-AWEZNQCLSA-N 2 1 367.494 -0.615 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000420079367 484833978 /nfs/dbraw/zinc/83/39/78/484833978.db2.gz HQSRNDRGJHMPSW-CQSZACIVSA-N 2 1 367.494 -0.615 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000420081803 484834618 /nfs/dbraw/zinc/83/46/18/484834618.db2.gz IYMQYLNSYHXWPJ-INIZCTEOSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000420081805 484834771 /nfs/dbraw/zinc/83/47/71/484834771.db2.gz IYMQYLNSYHXWPJ-MRXNPFEDSA-N 2 1 352.479 -0.057 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083268 484834552 /nfs/dbraw/zinc/83/45/52/484834552.db2.gz WJTNAQKQNFYRSG-IBGZPJMESA-N 2 1 362.474 -0.065 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083269 484834218 /nfs/dbraw/zinc/83/42/18/484834218.db2.gz WJTNAQKQNFYRSG-LJQANCHMSA-N 2 1 362.474 -0.065 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420083428 484834241 /nfs/dbraw/zinc/83/42/41/484834241.db2.gz TWPQPVZLEZDWQP-UHFFFAOYSA-N 2 1 355.483 -0.757 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420088176 484834699 /nfs/dbraw/zinc/83/46/99/484834699.db2.gz HLMPLMCOYXKLLD-UHFFFAOYSA-N 2 1 360.458 -0.179 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420091204 484834507 /nfs/dbraw/zinc/83/45/07/484834507.db2.gz MONPJMWGNZPPIR-HNNXBMFYSA-N 2 1 351.495 -0.388 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420091207 484834633 /nfs/dbraw/zinc/83/46/33/484834633.db2.gz MONPJMWGNZPPIR-OAHLLOKOSA-N 2 1 351.495 -0.388 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099555 484835730 /nfs/dbraw/zinc/83/57/30/484835730.db2.gz FHEXJYRVHHSHFV-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099555 484835727 /nfs/dbraw/zinc/83/57/27/484835727.db2.gz FHEXJYRVHHSHFV-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099556 484835467 /nfs/dbraw/zinc/83/54/67/484835467.db2.gz FHEXJYRVHHSHFV-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099556 484835463 /nfs/dbraw/zinc/83/54/63/484835463.db2.gz FHEXJYRVHHSHFV-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000420111287 484837279 /nfs/dbraw/zinc/83/72/79/484837279.db2.gz WNDYEVZILBJYGS-CRAIPNDOSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000420111288 484836919 /nfs/dbraw/zinc/83/69/19/484836919.db2.gz WNDYEVZILBJYGS-MAUKXSAKSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000420111289 484837121 /nfs/dbraw/zinc/83/71/21/484837121.db2.gz WNDYEVZILBJYGS-QAPCUYQASA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000420111290 484837048 /nfs/dbraw/zinc/83/70/48/484837048.db2.gz WNDYEVZILBJYGS-YJBOKZPZSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420112668 484836891 /nfs/dbraw/zinc/83/68/91/484836891.db2.gz XTGAYGRINYPGFL-KBXCAEBGSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420112668 484836884 /nfs/dbraw/zinc/83/68/84/484836884.db2.gz XTGAYGRINYPGFL-KBXCAEBGSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420112669 484837604 /nfs/dbraw/zinc/83/76/04/484837604.db2.gz XTGAYGRINYPGFL-KDOFPFPSSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420112669 484837595 /nfs/dbraw/zinc/83/75/95/484837595.db2.gz XTGAYGRINYPGFL-KDOFPFPSSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420112670 484837246 /nfs/dbraw/zinc/83/72/46/484837246.db2.gz XTGAYGRINYPGFL-KSSFIOAISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420112670 484837243 /nfs/dbraw/zinc/83/72/43/484837243.db2.gz XTGAYGRINYPGFL-KSSFIOAISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420112671 484837109 /nfs/dbraw/zinc/83/71/09/484837109.db2.gz XTGAYGRINYPGFL-RDTXWAMCSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420112671 484837107 /nfs/dbraw/zinc/83/71/07/484837107.db2.gz XTGAYGRINYPGFL-RDTXWAMCSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000420115539 484837266 /nfs/dbraw/zinc/83/72/66/484837266.db2.gz GQMSGWDIIFKJFK-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000420115539 484837260 /nfs/dbraw/zinc/83/72/60/484837260.db2.gz GQMSGWDIIFKJFK-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000420115543 484836677 /nfs/dbraw/zinc/83/66/77/484836677.db2.gz GQMSGWDIIFKJFK-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000420115543 484836672 /nfs/dbraw/zinc/83/66/72/484836672.db2.gz GQMSGWDIIFKJFK-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420117887 484836996 /nfs/dbraw/zinc/83/69/96/484836996.db2.gz LXYAVQQZRWWFEV-FMKPAKJESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420117890 484836577 /nfs/dbraw/zinc/83/65/77/484836577.db2.gz LXYAVQQZRWWFEV-IIAWOOMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420117892 484837380 /nfs/dbraw/zinc/83/73/80/484837380.db2.gz LXYAVQQZRWWFEV-LZWOXQAQSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420117893 484837272 /nfs/dbraw/zinc/83/72/72/484837272.db2.gz LXYAVQQZRWWFEV-SQWLQELKSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420124764 484844215 /nfs/dbraw/zinc/84/42/15/484844215.db2.gz SBBQIKPHYSIAMI-GDBMZVCRSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420124764 484844209 /nfs/dbraw/zinc/84/42/09/484844209.db2.gz SBBQIKPHYSIAMI-GDBMZVCRSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420124767 484845024 /nfs/dbraw/zinc/84/50/24/484845024.db2.gz SBBQIKPHYSIAMI-GOEBONIOSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420124767 484845019 /nfs/dbraw/zinc/84/50/19/484845019.db2.gz SBBQIKPHYSIAMI-GOEBONIOSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420124770 484844890 /nfs/dbraw/zinc/84/48/90/484844890.db2.gz SBBQIKPHYSIAMI-HOCLYGCPSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420124770 484844885 /nfs/dbraw/zinc/84/48/85/484844885.db2.gz SBBQIKPHYSIAMI-HOCLYGCPSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420124773 484844442 /nfs/dbraw/zinc/84/44/42/484844442.db2.gz SBBQIKPHYSIAMI-ZBFHGGJFSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420124773 484844435 /nfs/dbraw/zinc/84/44/35/484844435.db2.gz SBBQIKPHYSIAMI-ZBFHGGJFSA-N 2 1 353.511 -0.415 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000420124803 484845056 /nfs/dbraw/zinc/84/50/56/484845056.db2.gz OXKDUBXOBGMPBB-CABCVRRESA-N 2 1 367.494 -0.615 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000420124805 484844861 /nfs/dbraw/zinc/84/48/61/484844861.db2.gz OXKDUBXOBGMPBB-GJZGRUSLSA-N 2 1 367.494 -0.615 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000420124807 484844123 /nfs/dbraw/zinc/84/41/23/484844123.db2.gz OXKDUBXOBGMPBB-HUUCEWRRSA-N 2 1 367.494 -0.615 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000420124808 484844375 /nfs/dbraw/zinc/84/43/75/484844375.db2.gz OXKDUBXOBGMPBB-LSDHHAIUSA-N 2 1 367.494 -0.615 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420126227 484846116 /nfs/dbraw/zinc/84/61/16/484846116.db2.gz UBIIKLAWHBNRSE-BRWVUGGUSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420126228 484845614 /nfs/dbraw/zinc/84/56/14/484845614.db2.gz UBIIKLAWHBNRSE-IKGGRYGDSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420126229 484846201 /nfs/dbraw/zinc/84/62/01/484846201.db2.gz UBIIKLAWHBNRSE-IXDOHACOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420126230 484845845 /nfs/dbraw/zinc/84/58/45/484845845.db2.gz UBIIKLAWHBNRSE-ZACQAIPSSA-N 2 1 365.522 -0.271 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420126593 484845929 /nfs/dbraw/zinc/84/59/29/484845929.db2.gz QVUMZCHTZOHRID-AWEZNQCLSA-N 2 1 355.483 -0.757 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420126594 484846546 /nfs/dbraw/zinc/84/65/46/484846546.db2.gz QVUMZCHTZOHRID-CQSZACIVSA-N 2 1 355.483 -0.757 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420128316 484846474 /nfs/dbraw/zinc/84/64/74/484846474.db2.gz WBBIRFNGZIBKPQ-CABCVRRESA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420128317 484845986 /nfs/dbraw/zinc/84/59/86/484845986.db2.gz WBBIRFNGZIBKPQ-GJZGRUSLSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420128318 484846084 /nfs/dbraw/zinc/84/60/84/484846084.db2.gz WBBIRFNGZIBKPQ-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420128319 484845916 /nfs/dbraw/zinc/84/59/16/484845916.db2.gz WBBIRFNGZIBKPQ-LSDHHAIUSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420131333 484846425 /nfs/dbraw/zinc/84/64/25/484846425.db2.gz XROYSSCUSWWFPM-KBXCAEBGSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420131333 484846419 /nfs/dbraw/zinc/84/64/19/484846419.db2.gz XROYSSCUSWWFPM-KBXCAEBGSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420131336 484845833 /nfs/dbraw/zinc/84/58/33/484845833.db2.gz XROYSSCUSWWFPM-KDOFPFPSSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420131336 484845829 /nfs/dbraw/zinc/84/58/29/484845829.db2.gz XROYSSCUSWWFPM-KDOFPFPSSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420131339 484846296 /nfs/dbraw/zinc/84/62/96/484846296.db2.gz XROYSSCUSWWFPM-KSSFIOAISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420131339 484846293 /nfs/dbraw/zinc/84/62/93/484846293.db2.gz XROYSSCUSWWFPM-KSSFIOAISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000420131341 484846051 /nfs/dbraw/zinc/84/60/51/484846051.db2.gz XROYSSCUSWWFPM-RDTXWAMCSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000420131341 484846048 /nfs/dbraw/zinc/84/60/48/484846048.db2.gz XROYSSCUSWWFPM-RDTXWAMCSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420134699 484845966 /nfs/dbraw/zinc/84/59/66/484845966.db2.gz FRMMSAUBAREBCK-INIZCTEOSA-N 2 1 352.479 -0.018 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420134699 484845963 /nfs/dbraw/zinc/84/59/63/484845963.db2.gz FRMMSAUBAREBCK-INIZCTEOSA-N 2 1 352.479 -0.018 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420134701 484846497 /nfs/dbraw/zinc/84/64/97/484846497.db2.gz FRMMSAUBAREBCK-MRXNPFEDSA-N 2 1 352.479 -0.018 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420134701 484846488 /nfs/dbraw/zinc/84/64/88/484846488.db2.gz FRMMSAUBAREBCK-MRXNPFEDSA-N 2 1 352.479 -0.018 20 0 FBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420145346 484838373 /nfs/dbraw/zinc/83/83/73/484838373.db2.gz ORUOBKXULMZGCZ-BEFAXECRSA-N 2 1 362.474 -0.194 20 0 FBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420145347 484839151 /nfs/dbraw/zinc/83/91/51/484839151.db2.gz ORUOBKXULMZGCZ-DNVCBOLYSA-N 2 1 362.474 -0.194 20 0 FBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420145348 484838455 /nfs/dbraw/zinc/83/84/55/484838455.db2.gz ORUOBKXULMZGCZ-HNAYVOBHSA-N 2 1 362.474 -0.194 20 0 FBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420145349 484839009 /nfs/dbraw/zinc/83/90/09/484839009.db2.gz ORUOBKXULMZGCZ-KXBFYZLASA-N 2 1 362.474 -0.194 20 0 FBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000420150240 484840119 /nfs/dbraw/zinc/84/01/19/484840119.db2.gz KBQQDNUELSAYIT-UHFFFAOYSA-N 2 1 357.361 -0.551 20 0 FBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154252 484840057 /nfs/dbraw/zinc/84/00/57/484840057.db2.gz RMSNPCCHVGAOCA-UHFFFAOYSA-N 2 1 357.361 -0.551 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420154312 484839784 /nfs/dbraw/zinc/83/97/84/484839784.db2.gz DHUBLPQGBVFSHT-UHFFFAOYSA-N 2 1 362.474 -0.275 20 0 FBADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420154891 484841366 /nfs/dbraw/zinc/84/13/66/484841366.db2.gz STUSYNVMZGCSKO-UHFFFAOYSA-N 2 1 362.421 -0.200 20 0 FBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420156089 484841975 /nfs/dbraw/zinc/84/19/75/484841975.db2.gz VAWZNMCCMPZHOV-GFCCVEGCSA-N 2 1 350.410 -0.344 20 0 FBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420156091 484841220 /nfs/dbraw/zinc/84/12/20/484841220.db2.gz VAWZNMCCMPZHOV-LBPRGKRZSA-N 2 1 350.410 -0.344 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420163816 484843307 /nfs/dbraw/zinc/84/33/07/484843307.db2.gz FXILHXNIPIIGBT-GFCCVEGCSA-N 2 1 361.437 -0.677 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420163819 484843081 /nfs/dbraw/zinc/84/30/81/484843081.db2.gz FXILHXNIPIIGBT-LBPRGKRZSA-N 2 1 361.437 -0.677 20 0 FBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000420165357 484843504 /nfs/dbraw/zinc/84/35/04/484843504.db2.gz GXJISAFPFSKFPJ-VPSFDDGASA-N 2 1 365.522 -0.130 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420165855 484843614 /nfs/dbraw/zinc/84/36/14/484843614.db2.gz NPLLNTXRRKGLCI-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420165856 484843346 /nfs/dbraw/zinc/84/33/46/484843346.db2.gz NPLLNTXRRKGLCI-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420166261 484842838 /nfs/dbraw/zinc/84/28/38/484842838.db2.gz NYLVLSUAUPLSIV-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420166261 484842832 /nfs/dbraw/zinc/84/28/32/484842832.db2.gz NYLVLSUAUPLSIV-ILXRZTDVSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420166263 484843473 /nfs/dbraw/zinc/84/34/73/484843473.db2.gz NYLVLSUAUPLSIV-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420166263 484843468 /nfs/dbraw/zinc/84/34/68/484843468.db2.gz NYLVLSUAUPLSIV-KKUMJFAQSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420166265 484842720 /nfs/dbraw/zinc/84/27/20/484842720.db2.gz NYLVLSUAUPLSIV-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420166265 484842717 /nfs/dbraw/zinc/84/27/17/484842717.db2.gz NYLVLSUAUPLSIV-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420166267 484843554 /nfs/dbraw/zinc/84/35/54/484843554.db2.gz NYLVLSUAUPLSIV-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420166267 484843549 /nfs/dbraw/zinc/84/35/49/484843549.db2.gz NYLVLSUAUPLSIV-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420167608 484842892 /nfs/dbraw/zinc/84/28/92/484842892.db2.gz PNKDLAONERRXBE-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420167610 484843110 /nfs/dbraw/zinc/84/31/10/484843110.db2.gz PNKDLAONERRXBE-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169823 484844769 /nfs/dbraw/zinc/84/47/69/484844769.db2.gz WASUDEQUQMCIFR-AWEZNQCLSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169823 484844764 /nfs/dbraw/zinc/84/47/64/484844764.db2.gz WASUDEQUQMCIFR-AWEZNQCLSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169824 484844788 /nfs/dbraw/zinc/84/47/88/484844788.db2.gz WASUDEQUQMCIFR-CQSZACIVSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169824 484844780 /nfs/dbraw/zinc/84/47/80/484844780.db2.gz WASUDEQUQMCIFR-CQSZACIVSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000420171088 484844470 /nfs/dbraw/zinc/84/44/70/484844470.db2.gz YRPYJFXDNGSRDD-AWEZNQCLSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000420171088 484844463 /nfs/dbraw/zinc/84/44/63/484844463.db2.gz YRPYJFXDNGSRDD-AWEZNQCLSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000420171091 484845114 /nfs/dbraw/zinc/84/51/14/484845114.db2.gz YRPYJFXDNGSRDD-CQSZACIVSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000420171091 484845108 /nfs/dbraw/zinc/84/51/08/484845108.db2.gz YRPYJFXDNGSRDD-CQSZACIVSA-N 2 1 352.479 -0.284 20 0 FBADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174015 484849435 /nfs/dbraw/zinc/84/94/35/484849435.db2.gz YCHVSLPNGNZERK-HNNXBMFYSA-N 2 1 354.495 -0.204 20 0 FBADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174017 484849007 /nfs/dbraw/zinc/84/90/07/484849007.db2.gz YCHVSLPNGNZERK-OAHLLOKOSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420177716 484848895 /nfs/dbraw/zinc/84/88/95/484848895.db2.gz ZCLWHQPELDOCGR-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420177717 484849209 /nfs/dbraw/zinc/84/92/09/484849209.db2.gz ZCLWHQPELDOCGR-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420179756 484850771 /nfs/dbraw/zinc/85/07/71/484850771.db2.gz FZQGRTUAVUTOTD-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000420179757 484850280 /nfs/dbraw/zinc/85/02/80/484850280.db2.gz FZQGRTUAVUTOTD-HRCADAONSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420179758 484850192 /nfs/dbraw/zinc/85/01/92/484850192.db2.gz FZQGRTUAVUTOTD-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420179758 484850188 /nfs/dbraw/zinc/85/01/88/484850188.db2.gz FZQGRTUAVUTOTD-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420179759 484850162 /nfs/dbraw/zinc/85/01/62/484850162.db2.gz FZQGRTUAVUTOTD-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420179759 484850158 /nfs/dbraw/zinc/85/01/58/484850158.db2.gz FZQGRTUAVUTOTD-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420180534 484850819 /nfs/dbraw/zinc/85/08/19/484850819.db2.gz XBPOMQSGECQQFV-CYBMUJFWSA-N 2 1 361.437 -0.675 20 0 FBADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420180534 484850816 /nfs/dbraw/zinc/85/08/16/484850816.db2.gz XBPOMQSGECQQFV-CYBMUJFWSA-N 2 1 361.437 -0.675 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420180539 484850318 /nfs/dbraw/zinc/85/03/18/484850318.db2.gz XBPOMQSGECQQFV-ZDUSSCGKSA-N 2 1 361.437 -0.675 20 0 FBADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420180539 484850311 /nfs/dbraw/zinc/85/03/11/484850311.db2.gz XBPOMQSGECQQFV-ZDUSSCGKSA-N 2 1 361.437 -0.675 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420186523 484851980 /nfs/dbraw/zinc/85/19/80/484851980.db2.gz LCHRGDISFOQMTK-HNNXBMFYSA-N 2 1 361.446 -0.467 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420186525 484852354 /nfs/dbraw/zinc/85/23/54/484852354.db2.gz LCHRGDISFOQMTK-OAHLLOKOSA-N 2 1 361.446 -0.467 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420186786 484852068 /nfs/dbraw/zinc/85/20/68/484852068.db2.gz QNSDBNPPHLCLRM-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420186788 484852227 /nfs/dbraw/zinc/85/22/27/484852227.db2.gz QNSDBNPPHLCLRM-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420186789 484852301 /nfs/dbraw/zinc/85/23/01/484852301.db2.gz QNSDBNPPHLCLRM-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420186791 484851602 /nfs/dbraw/zinc/85/16/02/484851602.db2.gz QNSDBNPPHLCLRM-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1CCOC ZINC000420188059 484852883 /nfs/dbraw/zinc/85/28/83/484852883.db2.gz MRGIQFJYEXFENJ-CVEARBPZSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1CCOC ZINC000420188059 484852876 /nfs/dbraw/zinc/85/28/76/484852876.db2.gz MRGIQFJYEXFENJ-CVEARBPZSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1CCOC ZINC000420188061 484852997 /nfs/dbraw/zinc/85/29/97/484852997.db2.gz MRGIQFJYEXFENJ-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1CCOC ZINC000420188061 484852991 /nfs/dbraw/zinc/85/29/91/484852991.db2.gz MRGIQFJYEXFENJ-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1CCOC ZINC000420188063 484851927 /nfs/dbraw/zinc/85/19/27/484851927.db2.gz MRGIQFJYEXFENJ-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1CCOC ZINC000420188063 484851924 /nfs/dbraw/zinc/85/19/24/484851924.db2.gz MRGIQFJYEXFENJ-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1CCOC ZINC000420188066 484852724 /nfs/dbraw/zinc/85/27/24/484852724.db2.gz MRGIQFJYEXFENJ-JKSUJKDBSA-N 2 1 370.494 -0.560 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1CCOC ZINC000420188066 484852714 /nfs/dbraw/zinc/85/27/14/484852714.db2.gz MRGIQFJYEXFENJ-JKSUJKDBSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420188842 484851671 /nfs/dbraw/zinc/85/16/71/484851671.db2.gz SXGFEFRMKFCTJK-HDICACEKSA-N 2 1 374.485 -0.071 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194245 484854259 /nfs/dbraw/zinc/85/42/59/484854259.db2.gz JLICQFHCJUIULN-FGTMMUONSA-N 2 1 372.469 -0.319 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194246 484853733 /nfs/dbraw/zinc/85/37/33/484853733.db2.gz JLICQFHCJUIULN-KSZLIROESA-N 2 1 372.469 -0.319 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420200664 484855232 /nfs/dbraw/zinc/85/52/32/484855232.db2.gz OBNOSHCYBKQFGX-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420200665 484855017 /nfs/dbraw/zinc/85/50/17/484855017.db2.gz OBNOSHCYBKQFGX-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420201880 484855444 /nfs/dbraw/zinc/85/54/44/484855444.db2.gz YQAYVOKOXSMUAF-GOSISDBHSA-N 2 1 374.485 -0.132 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420201883 484856068 /nfs/dbraw/zinc/85/60/68/484856068.db2.gz YQAYVOKOXSMUAF-SFHVURJKSA-N 2 1 374.485 -0.132 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420204039 484855986 /nfs/dbraw/zinc/85/59/86/484855986.db2.gz QQWOBHBCIJNMPC-DLBZAZTESA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420204042 484855642 /nfs/dbraw/zinc/85/56/42/484855642.db2.gz QQWOBHBCIJNMPC-IAGOWNOFSA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420204043 484855732 /nfs/dbraw/zinc/85/57/32/484855732.db2.gz QQWOBHBCIJNMPC-IRXDYDNUSA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420204046 484854958 /nfs/dbraw/zinc/85/49/58/484854958.db2.gz QQWOBHBCIJNMPC-SJORKVTESA-N 2 1 360.458 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000420205116 484857452 /nfs/dbraw/zinc/85/74/52/484857452.db2.gz RMASEFOFAZWJNB-FZKCQIBNSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000420205116 484857444 /nfs/dbraw/zinc/85/74/44/484857444.db2.gz RMASEFOFAZWJNB-FZKCQIBNSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000420205117 484857694 /nfs/dbraw/zinc/85/76/94/484857694.db2.gz RMASEFOFAZWJNB-LVQVYYBASA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000420205118 484857626 /nfs/dbraw/zinc/85/76/26/484857626.db2.gz RMASEFOFAZWJNB-WCVJEAGWSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000420205119 484857942 /nfs/dbraw/zinc/85/79/42/484857942.db2.gz RMASEFOFAZWJNB-XUWVNRHRSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000420205119 484857940 /nfs/dbraw/zinc/85/79/40/484857940.db2.gz RMASEFOFAZWJNB-XUWVNRHRSA-N 2 1 368.478 -0.809 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000420207284 484857823 /nfs/dbraw/zinc/85/78/23/484857823.db2.gz UDTOFLDQYNOYDL-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000420207284 484857817 /nfs/dbraw/zinc/85/78/17/484857817.db2.gz UDTOFLDQYNOYDL-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000420207285 484857718 /nfs/dbraw/zinc/85/77/18/484857718.db2.gz UDTOFLDQYNOYDL-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000420207285 484857712 /nfs/dbraw/zinc/85/77/12/484857712.db2.gz UDTOFLDQYNOYDL-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000420207286 484856533 /nfs/dbraw/zinc/85/65/33/484856533.db2.gz UDTOFLDQYNOYDL-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000420207286 484856530 /nfs/dbraw/zinc/85/65/30/484856530.db2.gz UDTOFLDQYNOYDL-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000420207287 484856699 /nfs/dbraw/zinc/85/66/99/484856699.db2.gz UDTOFLDQYNOYDL-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000420207287 484856698 /nfs/dbraw/zinc/85/66/98/484856698.db2.gz UDTOFLDQYNOYDL-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(=O)n(C)c1=O ZINC000420270853 484861471 /nfs/dbraw/zinc/86/14/71/484861471.db2.gz JTERPLJQVOCEQO-UHFFFAOYSA-N 2 1 351.451 -0.361 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420283415 484862800 /nfs/dbraw/zinc/86/28/00/484862800.db2.gz CEPGLFYTFKSDRS-AWEZNQCLSA-N 2 1 354.451 -0.848 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420283416 484862607 /nfs/dbraw/zinc/86/26/07/484862607.db2.gz CEPGLFYTFKSDRS-CQSZACIVSA-N 2 1 354.451 -0.848 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284876 484863120 /nfs/dbraw/zinc/86/31/20/484863120.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 3 1 351.495 -0.706 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284876 484863114 /nfs/dbraw/zinc/86/31/14/484863114.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 3 1 351.495 -0.706 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284876 484863109 /nfs/dbraw/zinc/86/31/09/484863109.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 2 1 351.495 -0.706 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284877 484863303 /nfs/dbraw/zinc/86/33/03/484863303.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 3 1 351.495 -0.706 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284877 484863296 /nfs/dbraw/zinc/86/32/96/484863296.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 3 1 351.495 -0.706 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284877 484863290 /nfs/dbraw/zinc/86/32/90/484863290.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 2 1 351.495 -0.706 20 0 FBADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420285658 484862677 /nfs/dbraw/zinc/86/26/77/484862677.db2.gz FJMRMXXRLJOJMK-LLVKDONJSA-N 2 1 351.451 -0.441 20 0 FBADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420285660 484863476 /nfs/dbraw/zinc/86/34/76/484863476.db2.gz FJMRMXXRLJOJMK-NSHDSACASA-N 2 1 351.451 -0.441 20 0 FBADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420316155 484863145 /nfs/dbraw/zinc/86/31/45/484863145.db2.gz XYTFMGCOSQWIGN-LLVKDONJSA-N 2 1 351.451 -0.441 20 0 FBADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420316156 484862387 /nfs/dbraw/zinc/86/23/87/484862387.db2.gz XYTFMGCOSQWIGN-NSHDSACASA-N 2 1 351.451 -0.441 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420319011 484861165 /nfs/dbraw/zinc/86/11/65/484861165.db2.gz RAMCYRNNCGWCEU-AAEUAGOBSA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420319012 484861821 /nfs/dbraw/zinc/86/18/21/484861821.db2.gz RAMCYRNNCGWCEU-DGCLKSJQSA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420319013 484861331 /nfs/dbraw/zinc/86/13/31/484861331.db2.gz RAMCYRNNCGWCEU-WCQYABFASA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420319014 484860999 /nfs/dbraw/zinc/86/09/99/484860999.db2.gz RAMCYRNNCGWCEU-YPMHNXCESA-N 2 1 363.462 -0.441 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326661 484864694 /nfs/dbraw/zinc/86/46/94/484864694.db2.gz KDZIVZFLSPACHX-KBPBESRZSA-N 2 1 360.462 -0.245 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326662 484864212 /nfs/dbraw/zinc/86/42/12/484864212.db2.gz KDZIVZFLSPACHX-KGLIPLIRSA-N 2 1 360.462 -0.245 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326663 484864818 /nfs/dbraw/zinc/86/48/18/484864818.db2.gz KDZIVZFLSPACHX-UONOGXRCSA-N 2 1 360.462 -0.245 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326664 484864099 /nfs/dbraw/zinc/86/40/99/484864099.db2.gz KDZIVZFLSPACHX-ZIAGYGMSSA-N 2 1 360.462 -0.245 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328000 484864801 /nfs/dbraw/zinc/86/48/01/484864801.db2.gz MCFYCSBJMBTAAA-AGIUHOORSA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328001 484864437 /nfs/dbraw/zinc/86/44/37/484864437.db2.gz MCFYCSBJMBTAAA-FRRDWIJNSA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328002 484864382 /nfs/dbraw/zinc/86/43/82/484864382.db2.gz MCFYCSBJMBTAAA-JHJVBQTASA-N 2 1 363.462 -0.441 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328003 484864731 /nfs/dbraw/zinc/86/47/31/484864731.db2.gz MCFYCSBJMBTAAA-UPJWGTAASA-N 2 1 363.462 -0.441 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333956 484863082 /nfs/dbraw/zinc/86/30/82/484863082.db2.gz TZUDEYXQVUMQRB-CABCVRRESA-N 2 1 360.524 -0.294 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333957 484862912 /nfs/dbraw/zinc/86/29/12/484862912.db2.gz TZUDEYXQVUMQRB-GJZGRUSLSA-N 2 1 360.524 -0.294 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333958 484863622 /nfs/dbraw/zinc/86/36/22/484863622.db2.gz TZUDEYXQVUMQRB-HUUCEWRRSA-N 2 1 360.524 -0.294 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333959 484862426 /nfs/dbraw/zinc/86/24/26/484862426.db2.gz TZUDEYXQVUMQRB-LSDHHAIUSA-N 2 1 360.524 -0.294 20 0 FBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420349272 484864669 /nfs/dbraw/zinc/86/46/69/484864669.db2.gz CJCRWFGESORJAA-KRWDZBQOSA-N 2 1 364.490 -0.019 20 0 FBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420349274 484864113 /nfs/dbraw/zinc/86/41/13/484864113.db2.gz CJCRWFGESORJAA-QGZVFWFLSA-N 2 1 364.490 -0.019 20 0 FBADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350951 484864259 /nfs/dbraw/zinc/86/42/59/484864259.db2.gz VIUQRXOKXHZKIO-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350952 484864873 /nfs/dbraw/zinc/86/48/73/484864873.db2.gz VIUQRXOKXHZKIO-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350953 484864048 /nfs/dbraw/zinc/86/40/48/484864048.db2.gz VIUQRXOKXHZKIO-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350954 484864571 /nfs/dbraw/zinc/86/45/71/484864571.db2.gz VIUQRXOKXHZKIO-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000420361327 484864548 /nfs/dbraw/zinc/86/45/48/484864548.db2.gz GTYIEHANQXBTPU-GOSISDBHSA-N 2 1 360.462 -0.101 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000420361327 484864545 /nfs/dbraw/zinc/86/45/45/484864545.db2.gz GTYIEHANQXBTPU-GOSISDBHSA-N 2 1 360.462 -0.101 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000420361332 484865076 /nfs/dbraw/zinc/86/50/76/484865076.db2.gz GTYIEHANQXBTPU-SFHVURJKSA-N 2 1 360.462 -0.101 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000420361332 484865069 /nfs/dbraw/zinc/86/50/69/484865069.db2.gz GTYIEHANQXBTPU-SFHVURJKSA-N 2 1 360.462 -0.101 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420377350 484864642 /nfs/dbraw/zinc/86/46/42/484864642.db2.gz KTAKKERFBFZLRB-DZGCQCFKSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420377350 484864637 /nfs/dbraw/zinc/86/46/37/484864637.db2.gz KTAKKERFBFZLRB-DZGCQCFKSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420377352 484863985 /nfs/dbraw/zinc/86/39/85/484863985.db2.gz KTAKKERFBFZLRB-HIFRSBDPSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420377352 484863980 /nfs/dbraw/zinc/86/39/80/484863980.db2.gz KTAKKERFBFZLRB-HIFRSBDPSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420377353 484864286 /nfs/dbraw/zinc/86/42/86/484864286.db2.gz KTAKKERFBFZLRB-UKRRQHHQSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420377353 484864281 /nfs/dbraw/zinc/86/42/81/484864281.db2.gz KTAKKERFBFZLRB-UKRRQHHQSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420377355 484864987 /nfs/dbraw/zinc/86/49/87/484864987.db2.gz KTAKKERFBFZLRB-ZFWWWQNUSA-N 2 1 368.503 -0.091 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420377355 484864978 /nfs/dbraw/zinc/86/49/78/484864978.db2.gz KTAKKERFBFZLRB-ZFWWWQNUSA-N 2 1 368.503 -0.091 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388477 484866845 /nfs/dbraw/zinc/86/68/45/484866845.db2.gz HDPBUKABGOYIRB-CABCVRRESA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388477 484866841 /nfs/dbraw/zinc/86/68/41/484866841.db2.gz HDPBUKABGOYIRB-CABCVRRESA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388478 484866081 /nfs/dbraw/zinc/86/60/81/484866081.db2.gz HDPBUKABGOYIRB-GJZGRUSLSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388478 484866074 /nfs/dbraw/zinc/86/60/74/484866074.db2.gz HDPBUKABGOYIRB-GJZGRUSLSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388479 484866009 /nfs/dbraw/zinc/86/60/09/484866009.db2.gz HDPBUKABGOYIRB-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388479 484866003 /nfs/dbraw/zinc/86/60/03/484866003.db2.gz HDPBUKABGOYIRB-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388480 484865992 /nfs/dbraw/zinc/86/59/92/484865992.db2.gz HDPBUKABGOYIRB-LSDHHAIUSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000420388480 484865987 /nfs/dbraw/zinc/86/59/87/484865987.db2.gz HDPBUKABGOYIRB-LSDHHAIUSA-N 2 1 360.524 -0.152 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000420933253 484881904 /nfs/dbraw/zinc/88/19/04/484881904.db2.gz HRQYCUHOYUJHRN-CVEARBPZSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000420933253 484881899 /nfs/dbraw/zinc/88/18/99/484881899.db2.gz HRQYCUHOYUJHRN-CVEARBPZSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000420933260 484881652 /nfs/dbraw/zinc/88/16/52/484881652.db2.gz HRQYCUHOYUJHRN-HOTGVXAUSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000420933260 484881649 /nfs/dbraw/zinc/88/16/49/484881649.db2.gz HRQYCUHOYUJHRN-HOTGVXAUSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000420933264 484881452 /nfs/dbraw/zinc/88/14/52/484881452.db2.gz HRQYCUHOYUJHRN-HZPDHXFCSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000420933264 484881445 /nfs/dbraw/zinc/88/14/45/484881445.db2.gz HRQYCUHOYUJHRN-HZPDHXFCSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000420933266 484880897 /nfs/dbraw/zinc/88/08/97/484880897.db2.gz HRQYCUHOYUJHRN-JKSUJKDBSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000420933266 484880889 /nfs/dbraw/zinc/88/08/89/484880889.db2.gz HRQYCUHOYUJHRN-JKSUJKDBSA-N 2 1 357.495 -0.069 20 0 FBADMP CC1(C)CN(CCOCC[N@H+]2C[C@@H](CO)OC(C)(C)C2)C[C@@H](CO)O1 ZINC000420944831 484881855 /nfs/dbraw/zinc/88/18/55/484881855.db2.gz SKDNNSHMXRJWCY-HOTGVXAUSA-N 2 1 360.495 -0.054 20 0 FBADMP CC1(C)CN(CCOCC[N@@H+]2C[C@@H](CO)OC(C)(C)C2)C[C@@H](CO)O1 ZINC000420944831 484881851 /nfs/dbraw/zinc/88/18/51/484881851.db2.gz SKDNNSHMXRJWCY-HOTGVXAUSA-N 2 1 360.495 -0.054 20 0 FBADMP CC1(C)CN(CCOCC[N@H+]2C[C@H](CO)OC(C)(C)C2)C[C@H](CO)O1 ZINC000420944833 484881310 /nfs/dbraw/zinc/88/13/10/484881310.db2.gz SKDNNSHMXRJWCY-HZPDHXFCSA-N 2 1 360.495 -0.054 20 0 FBADMP CC1(C)CN(CCOCC[N@@H+]2C[C@H](CO)OC(C)(C)C2)C[C@H](CO)O1 ZINC000420944833 484881304 /nfs/dbraw/zinc/88/13/04/484881304.db2.gz SKDNNSHMXRJWCY-HZPDHXFCSA-N 2 1 360.495 -0.054 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000421247888 484886106 /nfs/dbraw/zinc/88/61/06/484886106.db2.gz KBQBKCCAUZMUQX-DLBZAZTESA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000421247889 484885886 /nfs/dbraw/zinc/88/58/86/484885886.db2.gz KBQBKCCAUZMUQX-IAGOWNOFSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000421247890 484885781 /nfs/dbraw/zinc/88/57/81/484885781.db2.gz KBQBKCCAUZMUQX-IRXDYDNUSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000421247891 484885968 /nfs/dbraw/zinc/88/59/68/484885968.db2.gz KBQBKCCAUZMUQX-SJORKVTESA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000421495534 484889796 /nfs/dbraw/zinc/88/97/96/484889796.db2.gz CQTFLEWWLWEVCV-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000421495534 484889792 /nfs/dbraw/zinc/88/97/92/484889792.db2.gz CQTFLEWWLWEVCV-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000421495536 484890285 /nfs/dbraw/zinc/89/02/85/484890285.db2.gz CQTFLEWWLWEVCV-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000421495536 484890280 /nfs/dbraw/zinc/89/02/80/484890280.db2.gz CQTFLEWWLWEVCV-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422084319 484983915 /nfs/dbraw/zinc/98/39/15/484983915.db2.gz KOMTWEKZBUHFOE-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422084319 484983909 /nfs/dbraw/zinc/98/39/09/484983909.db2.gz KOMTWEKZBUHFOE-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422084320 484984416 /nfs/dbraw/zinc/98/44/16/484984416.db2.gz KOMTWEKZBUHFOE-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422084320 484984411 /nfs/dbraw/zinc/98/44/11/484984411.db2.gz KOMTWEKZBUHFOE-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422084321 484984671 /nfs/dbraw/zinc/98/46/71/484984671.db2.gz KOMTWEKZBUHFOE-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422084321 484984662 /nfs/dbraw/zinc/98/46/62/484984662.db2.gz KOMTWEKZBUHFOE-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422084522 484984584 /nfs/dbraw/zinc/98/45/84/484984584.db2.gz KOMTWEKZBUHFOE-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422084522 484984578 /nfs/dbraw/zinc/98/45/78/484984578.db2.gz KOMTWEKZBUHFOE-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111075 484996165 /nfs/dbraw/zinc/99/61/65/484996165.db2.gz CWDCQRKTGZOHJC-CVEARBPZSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111076 484995676 /nfs/dbraw/zinc/99/56/76/484995676.db2.gz CWDCQRKTGZOHJC-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)CC[NH+](C)C ZINC000422113852 484997033 /nfs/dbraw/zinc/99/70/33/484997033.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CC[NH+](C)C ZINC000422113852 484997028 /nfs/dbraw/zinc/99/70/28/484997028.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422113852 484997022 /nfs/dbraw/zinc/99/70/22/484997022.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422113852 484997016 /nfs/dbraw/zinc/99/70/16/484997016.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422113852 484997011 /nfs/dbraw/zinc/99/70/11/484997011.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)CC[NH+](C)C ZINC000422113853 484997081 /nfs/dbraw/zinc/99/70/81/484997081.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)CC[NH+](C)C ZINC000422113853 484997073 /nfs/dbraw/zinc/99/70/73/484997073.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422113853 484997067 /nfs/dbraw/zinc/99/70/67/484997067.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422113853 484997058 /nfs/dbraw/zinc/99/70/58/484997058.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422113853 484997052 /nfs/dbraw/zinc/99/70/52/484997052.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422115221 484990583 /nfs/dbraw/zinc/99/05/83/484990583.db2.gz MOEOVASSTQTZHB-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422115221 484990582 /nfs/dbraw/zinc/99/05/82/484990582.db2.gz MOEOVASSTQTZHB-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422115221 484990576 /nfs/dbraw/zinc/99/05/76/484990576.db2.gz MOEOVASSTQTZHB-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422115221 484990572 /nfs/dbraw/zinc/99/05/72/484990572.db2.gz MOEOVASSTQTZHB-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422115231 484990652 /nfs/dbraw/zinc/99/06/52/484990652.db2.gz MOEOVASSTQTZHB-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422115231 484990646 /nfs/dbraw/zinc/99/06/46/484990646.db2.gz MOEOVASSTQTZHB-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422115231 484990641 /nfs/dbraw/zinc/99/06/41/484990641.db2.gz MOEOVASSTQTZHB-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422115231 484990636 /nfs/dbraw/zinc/99/06/36/484990636.db2.gz MOEOVASSTQTZHB-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422115233 484990834 /nfs/dbraw/zinc/99/08/34/484990834.db2.gz MOEOVASSTQTZHB-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422115233 484990830 /nfs/dbraw/zinc/99/08/30/484990830.db2.gz MOEOVASSTQTZHB-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422115233 484990824 /nfs/dbraw/zinc/99/08/24/484990824.db2.gz MOEOVASSTQTZHB-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422115233 484990821 /nfs/dbraw/zinc/99/08/21/484990821.db2.gz MOEOVASSTQTZHB-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422115236 484991384 /nfs/dbraw/zinc/99/13/84/484991384.db2.gz MOEOVASSTQTZHB-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422115236 484991380 /nfs/dbraw/zinc/99/13/80/484991380.db2.gz MOEOVASSTQTZHB-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422115236 484991376 /nfs/dbraw/zinc/99/13/76/484991376.db2.gz MOEOVASSTQTZHB-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422115236 484991371 /nfs/dbraw/zinc/99/13/71/484991371.db2.gz MOEOVASSTQTZHB-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119782 484991498 /nfs/dbraw/zinc/99/14/98/484991498.db2.gz PBDFYEDLZKPRHC-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119782 484991496 /nfs/dbraw/zinc/99/14/96/484991496.db2.gz PBDFYEDLZKPRHC-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(C)(C)O ZINC000422119782 484991489 /nfs/dbraw/zinc/99/14/89/484991489.db2.gz PBDFYEDLZKPRHC-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(C)(C)O ZINC000422119782 484991486 /nfs/dbraw/zinc/99/14/86/484991486.db2.gz PBDFYEDLZKPRHC-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119784 484990734 /nfs/dbraw/zinc/99/07/34/484990734.db2.gz PBDFYEDLZKPRHC-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119784 484990731 /nfs/dbraw/zinc/99/07/31/484990731.db2.gz PBDFYEDLZKPRHC-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(C)(C)O ZINC000422119784 484990725 /nfs/dbraw/zinc/99/07/25/484990725.db2.gz PBDFYEDLZKPRHC-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(C)(C)O ZINC000422119784 484990722 /nfs/dbraw/zinc/99/07/22/484990722.db2.gz PBDFYEDLZKPRHC-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119939 484991250 /nfs/dbraw/zinc/99/12/50/484991250.db2.gz PBDFYEDLZKPRHC-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119939 484991246 /nfs/dbraw/zinc/99/12/46/484991246.db2.gz PBDFYEDLZKPRHC-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1CC(C)(C)O ZINC000422119939 484991243 /nfs/dbraw/zinc/99/12/43/484991243.db2.gz PBDFYEDLZKPRHC-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(C)(C)O ZINC000422119939 484991238 /nfs/dbraw/zinc/99/12/38/484991238.db2.gz PBDFYEDLZKPRHC-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119940 484991213 /nfs/dbraw/zinc/99/12/13/484991213.db2.gz PBDFYEDLZKPRHC-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(C)(C)O ZINC000422119940 484991208 /nfs/dbraw/zinc/99/12/08/484991208.db2.gz PBDFYEDLZKPRHC-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1CC(C)(C)O ZINC000422119940 484991205 /nfs/dbraw/zinc/99/12/05/484991205.db2.gz PBDFYEDLZKPRHC-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(C)(C)O ZINC000422119940 484991198 /nfs/dbraw/zinc/99/11/98/484991198.db2.gz PBDFYEDLZKPRHC-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000422122683 484993015 /nfs/dbraw/zinc/99/30/15/484993015.db2.gz SOXHTWQQTWRBEC-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000422122683 484993007 /nfs/dbraw/zinc/99/30/07/484993007.db2.gz SOXHTWQQTWRBEC-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422122684 484993269 /nfs/dbraw/zinc/99/32/69/484993269.db2.gz SOXHTWQQTWRBEC-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422122684 484993262 /nfs/dbraw/zinc/99/32/62/484993262.db2.gz SOXHTWQQTWRBEC-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000422122685 484992074 /nfs/dbraw/zinc/99/20/74/484992074.db2.gz SOXHTWQQTWRBEC-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000422122685 484992066 /nfs/dbraw/zinc/99/20/66/484992066.db2.gz SOXHTWQQTWRBEC-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422122686 484992524 /nfs/dbraw/zinc/99/25/24/484992524.db2.gz SOXHTWQQTWRBEC-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422122686 484992516 /nfs/dbraw/zinc/99/25/16/484992516.db2.gz SOXHTWQQTWRBEC-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000422123628 484992900 /nfs/dbraw/zinc/99/29/00/484992900.db2.gz YJBSMCGPCMRNST-CABCVRRESA-N 2 1 368.478 -0.365 20 0 FBADMP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000422123629 484992324 /nfs/dbraw/zinc/99/23/24/484992324.db2.gz YJBSMCGPCMRNST-GJZGRUSLSA-N 2 1 368.478 -0.365 20 0 FBADMP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000422123630 484993229 /nfs/dbraw/zinc/99/32/29/484993229.db2.gz YJBSMCGPCMRNST-HUUCEWRRSA-N 2 1 368.478 -0.365 20 0 FBADMP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000422123631 484993070 /nfs/dbraw/zinc/99/30/70/484993070.db2.gz YJBSMCGPCMRNST-LSDHHAIUSA-N 2 1 368.478 -0.365 20 0 FBADMP COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000422273323 485003388 /nfs/dbraw/zinc/00/33/88/485003388.db2.gz UZEDGTPNPOYRNM-AWEZNQCLSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000422273323 485003384 /nfs/dbraw/zinc/00/33/84/485003384.db2.gz UZEDGTPNPOYRNM-AWEZNQCLSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000422273324 485003993 /nfs/dbraw/zinc/00/39/93/485003993.db2.gz UZEDGTPNPOYRNM-CQSZACIVSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000422273324 485003988 /nfs/dbraw/zinc/00/39/88/485003988.db2.gz UZEDGTPNPOYRNM-CQSZACIVSA-N 2 1 368.478 -0.855 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287585 485008198 /nfs/dbraw/zinc/00/81/98/485008198.db2.gz ZIETWJLLCJDBJA-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287585 485008195 /nfs/dbraw/zinc/00/81/95/485008195.db2.gz ZIETWJLLCJDBJA-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287586 485008997 /nfs/dbraw/zinc/00/89/97/485008997.db2.gz ZIETWJLLCJDBJA-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287586 485008992 /nfs/dbraw/zinc/00/89/92/485008992.db2.gz ZIETWJLLCJDBJA-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287587 485009166 /nfs/dbraw/zinc/00/91/66/485009166.db2.gz ZIETWJLLCJDBJA-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287587 485009160 /nfs/dbraw/zinc/00/91/60/485009160.db2.gz ZIETWJLLCJDBJA-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287588 485008872 /nfs/dbraw/zinc/00/88/72/485008872.db2.gz ZIETWJLLCJDBJA-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000422287588 485008868 /nfs/dbraw/zinc/00/88/68/485008868.db2.gz ZIETWJLLCJDBJA-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000422340561 485012158 /nfs/dbraw/zinc/01/21/58/485012158.db2.gz PEOCQJNLDJESQH-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000422340561 485012154 /nfs/dbraw/zinc/01/21/54/485012154.db2.gz PEOCQJNLDJESQH-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000422340561 485012147 /nfs/dbraw/zinc/01/21/47/485012147.db2.gz PEOCQJNLDJESQH-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000422340564 485011888 /nfs/dbraw/zinc/01/18/88/485011888.db2.gz PEOCQJNLDJESQH-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000422340564 485011883 /nfs/dbraw/zinc/01/18/83/485011883.db2.gz PEOCQJNLDJESQH-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000422340564 485011878 /nfs/dbraw/zinc/01/18/78/485011878.db2.gz PEOCQJNLDJESQH-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000422449991 485022684 /nfs/dbraw/zinc/02/26/84/485022684.db2.gz AULDNQZNQYEPSX-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000422449991 485022679 /nfs/dbraw/zinc/02/26/79/485022679.db2.gz AULDNQZNQYEPSX-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000422490981 485025433 /nfs/dbraw/zinc/02/54/33/485025433.db2.gz NFNOAAOBVYTRNT-HNNXBMFYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000422490981 485025424 /nfs/dbraw/zinc/02/54/24/485025424.db2.gz NFNOAAOBVYTRNT-HNNXBMFYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000422490983 485025995 /nfs/dbraw/zinc/02/59/95/485025995.db2.gz NFNOAAOBVYTRNT-OAHLLOKOSA-N 2 1 354.495 -0.250 20 0 FBADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000422490983 485025991 /nfs/dbraw/zinc/02/59/91/485025991.db2.gz NFNOAAOBVYTRNT-OAHLLOKOSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000422535782 485030990 /nfs/dbraw/zinc/03/09/90/485030990.db2.gz CGGXFWSLHJRUBW-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000422535795 485030900 /nfs/dbraw/zinc/03/09/00/485030900.db2.gz CGGXFWSLHJRUBW-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000422535797 485029824 /nfs/dbraw/zinc/02/98/24/485029824.db2.gz CGGXFWSLHJRUBW-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000422535798 485030532 /nfs/dbraw/zinc/03/05/32/485030532.db2.gz CGGXFWSLHJRUBW-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547102 485031917 /nfs/dbraw/zinc/03/19/17/485031917.db2.gz WIUBIKAHYLOCNI-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547103 485033249 /nfs/dbraw/zinc/03/32/49/485033249.db2.gz WIUBIKAHYLOCNI-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547104 485033099 /nfs/dbraw/zinc/03/30/99/485033099.db2.gz WIUBIKAHYLOCNI-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547105 485032815 /nfs/dbraw/zinc/03/28/15/485032815.db2.gz WIUBIKAHYLOCNI-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549069 485032563 /nfs/dbraw/zinc/03/25/63/485032563.db2.gz ZZPIJRCZOJWQFB-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549069 485032560 /nfs/dbraw/zinc/03/25/60/485032560.db2.gz ZZPIJRCZOJWQFB-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549069 485032555 /nfs/dbraw/zinc/03/25/55/485032555.db2.gz ZZPIJRCZOJWQFB-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549070 485034234 /nfs/dbraw/zinc/03/42/34/485034234.db2.gz ZZPIJRCZOJWQFB-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549070 485034231 /nfs/dbraw/zinc/03/42/31/485034231.db2.gz ZZPIJRCZOJWQFB-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549070 485034227 /nfs/dbraw/zinc/03/42/27/485034227.db2.gz ZZPIJRCZOJWQFB-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549071 485033610 /nfs/dbraw/zinc/03/36/10/485033610.db2.gz ZZPIJRCZOJWQFB-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549071 485033601 /nfs/dbraw/zinc/03/36/01/485033601.db2.gz ZZPIJRCZOJWQFB-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549071 485033591 /nfs/dbraw/zinc/03/35/91/485033591.db2.gz ZZPIJRCZOJWQFB-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549072 485033947 /nfs/dbraw/zinc/03/39/47/485033947.db2.gz ZZPIJRCZOJWQFB-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549072 485033941 /nfs/dbraw/zinc/03/39/41/485033941.db2.gz ZZPIJRCZOJWQFB-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549072 485033940 /nfs/dbraw/zinc/03/39/40/485033940.db2.gz ZZPIJRCZOJWQFB-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638505 485039938 /nfs/dbraw/zinc/03/99/38/485039938.db2.gz QMICQEYLXDHODM-BZUAXINKSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638505 485039931 /nfs/dbraw/zinc/03/99/31/485039931.db2.gz QMICQEYLXDHODM-BZUAXINKSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638510 485039471 /nfs/dbraw/zinc/03/94/71/485039471.db2.gz QMICQEYLXDHODM-OAGGEKHMSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638510 485039463 /nfs/dbraw/zinc/03/94/63/485039463.db2.gz QMICQEYLXDHODM-OAGGEKHMSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638511 485039565 /nfs/dbraw/zinc/03/95/65/485039565.db2.gz QMICQEYLXDHODM-OWCLPIDISA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638511 485039559 /nfs/dbraw/zinc/03/95/59/485039559.db2.gz QMICQEYLXDHODM-OWCLPIDISA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638512 485039364 /nfs/dbraw/zinc/03/93/64/485039364.db2.gz QMICQEYLXDHODM-PMPSAXMXSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638512 485039355 /nfs/dbraw/zinc/03/93/55/485039355.db2.gz QMICQEYLXDHODM-PMPSAXMXSA-N 2 1 353.511 -0.476 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771595 485043668 /nfs/dbraw/zinc/04/36/68/485043668.db2.gz XLIDUQLSDOSKDY-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771595 485043662 /nfs/dbraw/zinc/04/36/62/485043662.db2.gz XLIDUQLSDOSKDY-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771596 485044965 /nfs/dbraw/zinc/04/49/65/485044965.db2.gz XLIDUQLSDOSKDY-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771596 485044955 /nfs/dbraw/zinc/04/49/55/485044955.db2.gz XLIDUQLSDOSKDY-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771597 485044348 /nfs/dbraw/zinc/04/43/48/485044348.db2.gz XLIDUQLSDOSKDY-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771597 485044339 /nfs/dbraw/zinc/04/43/39/485044339.db2.gz XLIDUQLSDOSKDY-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771598 485043858 /nfs/dbraw/zinc/04/38/58/485043858.db2.gz XLIDUQLSDOSKDY-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000422771598 485043848 /nfs/dbraw/zinc/04/38/48/485043848.db2.gz XLIDUQLSDOSKDY-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000422775394 485044323 /nfs/dbraw/zinc/04/43/23/485044323.db2.gz BMGUAKJDEJZNPC-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000422775395 485044774 /nfs/dbraw/zinc/04/47/74/485044774.db2.gz BMGUAKJDEJZNPC-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000422775396 485044549 /nfs/dbraw/zinc/04/45/49/485044549.db2.gz BMGUAKJDEJZNPC-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000422775397 485044477 /nfs/dbraw/zinc/04/44/77/485044477.db2.gz BMGUAKJDEJZNPC-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H](C)[NH2+]1 ZINC000422821691 485046114 /nfs/dbraw/zinc/04/61/14/485046114.db2.gz XXEHWLDLHQUJTQ-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H](C)[NH2+]1 ZINC000422821692 485046046 /nfs/dbraw/zinc/04/60/46/485046046.db2.gz XXEHWLDLHQUJTQ-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H](C)[NH2+]1 ZINC000422821693 485046282 /nfs/dbraw/zinc/04/62/82/485046282.db2.gz XXEHWLDLHQUJTQ-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H](C)[NH2+]1 ZINC000422821694 485046065 /nfs/dbraw/zinc/04/60/65/485046065.db2.gz XXEHWLDLHQUJTQ-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@](C[NH3+])(NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000422832419 485046246 /nfs/dbraw/zinc/04/62/46/485046246.db2.gz UZVOSLWNOFVNRI-CRAIPNDOSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@](C[NH3+])(NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000422832420 485046453 /nfs/dbraw/zinc/04/64/53/485046453.db2.gz UZVOSLWNOFVNRI-MAUKXSAKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@](C[NH3+])(NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000422832421 485045944 /nfs/dbraw/zinc/04/59/44/485045944.db2.gz UZVOSLWNOFVNRI-QAPCUYQASA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@](C[NH3+])(NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000422832422 485046006 /nfs/dbraw/zinc/04/60/06/485046006.db2.gz UZVOSLWNOFVNRI-YJBOKZPZSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422864936 485047750 /nfs/dbraw/zinc/04/77/50/485047750.db2.gz NZAYDCHMNCFKGX-ARFHVFGLSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422864938 485047338 /nfs/dbraw/zinc/04/73/38/485047338.db2.gz NZAYDCHMNCFKGX-HRCADAONSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422864940 485047274 /nfs/dbraw/zinc/04/72/74/485047274.db2.gz NZAYDCHMNCFKGX-JYJNAYRXSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422864941 485047036 /nfs/dbraw/zinc/04/70/36/485047036.db2.gz NZAYDCHMNCFKGX-XHSDSOJGSA-N 2 1 352.479 -0.057 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422888449 485047816 /nfs/dbraw/zinc/04/78/16/485047816.db2.gz CVZWHJWRISFDKA-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422888450 485047848 /nfs/dbraw/zinc/04/78/48/485047848.db2.gz CVZWHJWRISFDKA-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422888451 485047391 /nfs/dbraw/zinc/04/73/91/485047391.db2.gz CVZWHJWRISFDKA-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422888452 485047964 /nfs/dbraw/zinc/04/79/64/485047964.db2.gz CVZWHJWRISFDKA-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422957032 485053289 /nfs/dbraw/zinc/05/32/89/485053289.db2.gz SBJMHWFAGZULSC-HNNXBMFYSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422957033 485053571 /nfs/dbraw/zinc/05/35/71/485053571.db2.gz SBJMHWFAGZULSC-OAHLLOKOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423016010 485053460 /nfs/dbraw/zinc/05/34/60/485053460.db2.gz SCSCOPNIGSSWQR-HNNXBMFYSA-N 2 1 367.494 -0.900 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423016011 485053625 /nfs/dbraw/zinc/05/36/25/485053625.db2.gz SCSCOPNIGSSWQR-OAHLLOKOSA-N 2 1 367.494 -0.900 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000423035365 485054590 /nfs/dbraw/zinc/05/45/90/485054590.db2.gz JGIXZTCCDCZUES-KRWDZBQOSA-N 2 1 360.458 -0.441 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000423035366 485054741 /nfs/dbraw/zinc/05/47/41/485054741.db2.gz JGIXZTCCDCZUES-QGZVFWFLSA-N 2 1 360.458 -0.441 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000423038498 485054377 /nfs/dbraw/zinc/05/43/77/485054377.db2.gz OLAFUZVMBYAYAH-KRWDZBQOSA-N 2 1 360.458 -0.093 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000423038510 485054987 /nfs/dbraw/zinc/05/49/87/485054987.db2.gz OLAFUZVMBYAYAH-QGZVFWFLSA-N 2 1 360.458 -0.093 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000423041192 485054416 /nfs/dbraw/zinc/05/44/16/485054416.db2.gz WJHIOFMVHCOKDK-GOSISDBHSA-N 2 1 374.485 -0.051 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000423041193 485054600 /nfs/dbraw/zinc/05/46/00/485054600.db2.gz WJHIOFMVHCOKDK-SFHVURJKSA-N 2 1 374.485 -0.051 20 0 FBADMP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423059057 485056398 /nfs/dbraw/zinc/05/63/98/485056398.db2.gz KVWGWNUYFZKFAW-DLBZAZTESA-N 2 1 360.458 -0.095 20 0 FBADMP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423059058 485056232 /nfs/dbraw/zinc/05/62/32/485056232.db2.gz KVWGWNUYFZKFAW-IAGOWNOFSA-N 2 1 360.458 -0.095 20 0 FBADMP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423059059 485055780 /nfs/dbraw/zinc/05/57/80/485055780.db2.gz KVWGWNUYFZKFAW-IRXDYDNUSA-N 2 1 360.458 -0.095 20 0 FBADMP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423059060 485056154 /nfs/dbraw/zinc/05/61/54/485056154.db2.gz KVWGWNUYFZKFAW-SJORKVTESA-N 2 1 360.458 -0.095 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCO1 ZINC000423115785 485059157 /nfs/dbraw/zinc/05/91/57/485059157.db2.gz OFODDIZVCZNAGP-AWEZNQCLSA-N 2 1 366.487 -0.379 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCO1 ZINC000423115786 485058441 /nfs/dbraw/zinc/05/84/41/485058441.db2.gz OFODDIZVCZNAGP-CQSZACIVSA-N 2 1 366.487 -0.379 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423124226 485058481 /nfs/dbraw/zinc/05/84/81/485058481.db2.gz GEDBDIJROIIKLK-UHFFFAOYSA-N 2 1 355.527 -0.086 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423124226 485058478 /nfs/dbraw/zinc/05/84/78/485058478.db2.gz GEDBDIJROIIKLK-UHFFFAOYSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@]1(C)C[NH3+] ZINC000423124407 485059031 /nfs/dbraw/zinc/05/90/31/485059031.db2.gz GPAZTOAYKUZDBQ-DNVCBOLYSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@]1(C)C[NH3+] ZINC000423124407 485059022 /nfs/dbraw/zinc/05/90/22/485059022.db2.gz GPAZTOAYKUZDBQ-DNVCBOLYSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000423132542 485060878 /nfs/dbraw/zinc/06/08/78/485060878.db2.gz PMXKMKDTBFJXNZ-CVEARBPZSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000423132542 485060874 /nfs/dbraw/zinc/06/08/74/485060874.db2.gz PMXKMKDTBFJXNZ-CVEARBPZSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000423132543 485060031 /nfs/dbraw/zinc/06/00/31/485060031.db2.gz PMXKMKDTBFJXNZ-HOTGVXAUSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000423132543 485060027 /nfs/dbraw/zinc/06/00/27/485060027.db2.gz PMXKMKDTBFJXNZ-HOTGVXAUSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000423132544 485060535 /nfs/dbraw/zinc/06/05/35/485060535.db2.gz PMXKMKDTBFJXNZ-HZPDHXFCSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000423132544 485060530 /nfs/dbraw/zinc/06/05/30/485060530.db2.gz PMXKMKDTBFJXNZ-HZPDHXFCSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000423132545 485061388 /nfs/dbraw/zinc/06/13/88/485061388.db2.gz PMXKMKDTBFJXNZ-JKSUJKDBSA-N 2 1 367.538 -0.086 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000423132545 485061384 /nfs/dbraw/zinc/06/13/84/485061384.db2.gz PMXKMKDTBFJXNZ-JKSUJKDBSA-N 2 1 367.538 -0.086 20 0 FBADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000423139222 485061266 /nfs/dbraw/zinc/06/12/66/485061266.db2.gz ZJPLQTLZTOCTAM-UHFFFAOYSA-N 2 1 352.479 -0.103 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423180675 485062132 /nfs/dbraw/zinc/06/21/32/485062132.db2.gz BONQSOYOMYAGIA-UHFFFAOYSA-N 2 1 354.373 -0.483 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000423180714 485063056 /nfs/dbraw/zinc/06/30/56/485063056.db2.gz IOCZLEMGUMOHNX-KFWWJZLASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000423180715 485061907 /nfs/dbraw/zinc/06/19/07/485061907.db2.gz IOCZLEMGUMOHNX-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000423180716 485062497 /nfs/dbraw/zinc/06/24/97/485062497.db2.gz IOCZLEMGUMOHNX-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000423180717 485062225 /nfs/dbraw/zinc/06/22/25/485062225.db2.gz IOCZLEMGUMOHNX-ZNMIVQPWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CCO1 ZINC000423185704 485061981 /nfs/dbraw/zinc/06/19/81/485061981.db2.gz VUBSBGIRSHSHAO-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CCO1 ZINC000423185705 485062065 /nfs/dbraw/zinc/06/20/65/485062065.db2.gz VUBSBGIRSHSHAO-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423192757 485062870 /nfs/dbraw/zinc/06/28/70/485062870.db2.gz WDVJEWWCQJEWLC-GFCCVEGCSA-N 2 1 366.384 -0.341 20 0 FBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423192758 485062300 /nfs/dbraw/zinc/06/23/00/485062300.db2.gz WDVJEWWCQJEWLC-LBPRGKRZSA-N 2 1 366.384 -0.341 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423193086 484303913 /nfs/dbraw/zinc/30/39/13/484303913.db2.gz WJKKSUWPYWSSJI-UHFFFAOYSA-N 2 1 368.400 -0.223 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206125 485064027 /nfs/dbraw/zinc/06/40/27/485064027.db2.gz CGEOCGWQWQGTJP-HNNXBMFYSA-N 2 1 367.494 -0.757 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206126 485063999 /nfs/dbraw/zinc/06/39/99/485063999.db2.gz CGEOCGWQWQGTJP-OAHLLOKOSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423207784 485064103 /nfs/dbraw/zinc/06/41/03/485064103.db2.gz HGJGOYXNSXBYHN-IYBDPMFKSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423209582 485063537 /nfs/dbraw/zinc/06/35/37/485063537.db2.gz VELRLBUPZOIYKX-GASCZTMLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423213996 485063977 /nfs/dbraw/zinc/06/39/77/485063977.db2.gz OBJIUPJXSBIIBZ-OWCLPIDISA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423213997 485064463 /nfs/dbraw/zinc/06/44/63/485064463.db2.gz OBJIUPJXSBIIBZ-XHSDSOJGSA-N 2 1 351.495 -0.437 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423216286 484304038 /nfs/dbraw/zinc/30/40/38/484304038.db2.gz RLFLNIKNZHOVDG-IYBDPMFKSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423216383 485065180 /nfs/dbraw/zinc/06/51/80/485065180.db2.gz RVSQBECZZSNGIY-BBWFWOEESA-N 2 1 365.522 -0.047 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423218722 485066127 /nfs/dbraw/zinc/06/61/27/485066127.db2.gz VVLZOZZEJJYLRD-BBWFWOEESA-N 2 1 365.522 -0.176 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423218724 485065783 /nfs/dbraw/zinc/06/57/83/485065783.db2.gz VVLZOZZEJJYLRD-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000423231544 485065485 /nfs/dbraw/zinc/06/54/85/485065485.db2.gz GTQZEARXVSAACK-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423235160 485065801 /nfs/dbraw/zinc/06/58/01/485065801.db2.gz MUAXYIYBUZGBEQ-UHFFFAOYSA-N 2 1 366.506 -0.108 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423241194 485065338 /nfs/dbraw/zinc/06/53/38/485065338.db2.gz URHQYQSYCQMEBQ-DLBZAZTESA-N 2 1 374.485 -0.145 20 0 FBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000423246358 485065890 /nfs/dbraw/zinc/06/58/90/485065890.db2.gz ZHKBMZMKGCRRKY-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423263346 485067570 /nfs/dbraw/zinc/06/75/70/485067570.db2.gz AZUPWFKEAQHGMV-BBWFWOEESA-N 2 1 363.506 -0.707 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423263347 485067400 /nfs/dbraw/zinc/06/74/00/485067400.db2.gz AZUPWFKEAQHGMV-IXDOHACOSA-N 2 1 363.506 -0.707 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423263349 485067070 /nfs/dbraw/zinc/06/70/70/485067070.db2.gz AZZHOQLPZUIFKO-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423263350 485067621 /nfs/dbraw/zinc/06/76/21/485067621.db2.gz AZZHOQLPZUIFKO-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423263351 485067857 /nfs/dbraw/zinc/06/78/57/485067857.db2.gz AZZHOQLPZUIFKO-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423263352 485067880 /nfs/dbraw/zinc/06/78/80/485067880.db2.gz AZZHOQLPZUIFKO-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423268219 485067704 /nfs/dbraw/zinc/06/77/04/485067704.db2.gz ULRJCXZODRXGDA-UHFFFAOYSA-N 2 1 361.490 -0.320 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423268490 485067435 /nfs/dbraw/zinc/06/74/35/485067435.db2.gz DVXQQPTWBVQJBA-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423268490 485067430 /nfs/dbraw/zinc/06/74/30/485067430.db2.gz DVXQQPTWBVQJBA-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@H+]1CCOC ZINC000423268492 485067846 /nfs/dbraw/zinc/06/78/46/485067846.db2.gz DVXQQPTWBVQJBA-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423268492 485067841 /nfs/dbraw/zinc/06/78/41/485067841.db2.gz DVXQQPTWBVQJBA-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423268495 485066769 /nfs/dbraw/zinc/06/67/69/485066769.db2.gz DVXQQPTWBVQJBA-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423268495 485066763 /nfs/dbraw/zinc/06/67/63/485066763.db2.gz DVXQQPTWBVQJBA-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423268497 485067420 /nfs/dbraw/zinc/06/74/20/485067420.db2.gz DVXQQPTWBVQJBA-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423268497 485067419 /nfs/dbraw/zinc/06/74/19/485067419.db2.gz DVXQQPTWBVQJBA-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423268553 485067687 /nfs/dbraw/zinc/06/76/87/485067687.db2.gz GNZJIRWOIQMDEG-CVEARBPZSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423268560 485066948 /nfs/dbraw/zinc/06/69/48/485066948.db2.gz GNZJIRWOIQMDEG-HZPDHXFCSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271494 485068606 /nfs/dbraw/zinc/06/86/06/485068606.db2.gz XUIXWDDJDWDHSH-GOSISDBHSA-N 2 1 373.501 -0.178 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271495 485069910 /nfs/dbraw/zinc/06/99/10/485069910.db2.gz XUIXWDDJDWDHSH-SFHVURJKSA-N 2 1 373.501 -0.178 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423274707 485069688 /nfs/dbraw/zinc/06/96/88/485069688.db2.gz KVIAZKIDFJYKJP-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423274707 485069682 /nfs/dbraw/zinc/06/96/82/485069682.db2.gz KVIAZKIDFJYKJP-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423274708 485068706 /nfs/dbraw/zinc/06/87/06/485068706.db2.gz KVIAZKIDFJYKJP-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423274708 485068702 /nfs/dbraw/zinc/06/87/02/485068702.db2.gz KVIAZKIDFJYKJP-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423274709 485068986 /nfs/dbraw/zinc/06/89/86/485068986.db2.gz KVIAZKIDFJYKJP-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423274709 485068980 /nfs/dbraw/zinc/06/89/80/485068980.db2.gz KVIAZKIDFJYKJP-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423274710 485069573 /nfs/dbraw/zinc/06/95/73/485069573.db2.gz KVIAZKIDFJYKJP-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423274710 485069567 /nfs/dbraw/zinc/06/95/67/485069567.db2.gz KVIAZKIDFJYKJP-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423276552 485069554 /nfs/dbraw/zinc/06/95/54/485069554.db2.gz OOYRJZLWOMDRML-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423276554 485069019 /nfs/dbraw/zinc/06/90/19/485069019.db2.gz OOYRJZLWOMDRML-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423276556 485069655 /nfs/dbraw/zinc/06/96/55/485069655.db2.gz OOYRJZLWOMDRML-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000423276558 485068933 /nfs/dbraw/zinc/06/89/33/485068933.db2.gz OOYRJZLWOMDRML-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423276776 485069404 /nfs/dbraw/zinc/06/94/04/485069404.db2.gz OUQHMZHLJLARHD-KRWDZBQOSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423276777 485068765 /nfs/dbraw/zinc/06/87/65/485068765.db2.gz OUQHMZHLJLARHD-QGZVFWFLSA-N 2 1 365.522 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000423279159 485071762 /nfs/dbraw/zinc/07/17/62/485071762.db2.gz ROUQQIYUEXYDAR-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000423279160 485070553 /nfs/dbraw/zinc/07/05/53/485070553.db2.gz ROUQQIYUEXYDAR-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000423279161 485070489 /nfs/dbraw/zinc/07/04/89/485070489.db2.gz ROUQQIYUEXYDAR-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000423279162 485071821 /nfs/dbraw/zinc/07/18/21/485071821.db2.gz ROUQQIYUEXYDAR-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423280708 485070872 /nfs/dbraw/zinc/07/08/72/485070872.db2.gz UKAUACKACXIYPO-APWZRJJASA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423280709 485071306 /nfs/dbraw/zinc/07/13/06/485071306.db2.gz UKAUACKACXIYPO-LPHOPBHVSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423280710 485071105 /nfs/dbraw/zinc/07/11/05/485071105.db2.gz UKAUACKACXIYPO-QFBILLFUSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423280711 485071139 /nfs/dbraw/zinc/07/11/39/485071139.db2.gz UKAUACKACXIYPO-VQIMIIECSA-N 2 1 365.522 -0.188 20 0 FBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423281054 485071000 /nfs/dbraw/zinc/07/10/00/485071000.db2.gz UOXGZMXVAZYJAM-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423281055 485071023 /nfs/dbraw/zinc/07/10/23/485071023.db2.gz UOXGZMXVAZYJAM-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000423283313 485071484 /nfs/dbraw/zinc/07/14/84/485071484.db2.gz WYWDPHHFGFRCRL-BBWFWOEESA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000423283314 485071252 /nfs/dbraw/zinc/07/12/52/485071252.db2.gz WYWDPHHFGFRCRL-BRWVUGGUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000423283315 485071375 /nfs/dbraw/zinc/07/13/75/485071375.db2.gz WYWDPHHFGFRCRL-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000423283316 485070674 /nfs/dbraw/zinc/07/06/74/485070674.db2.gz WYWDPHHFGFRCRL-ZACQAIPSSA-N 2 1 365.522 -0.176 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423283719 485071159 /nfs/dbraw/zinc/07/11/59/485071159.db2.gz XKYJLEKVUZHEKX-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423283720 485071512 /nfs/dbraw/zinc/07/15/12/485071512.db2.gz XKYJLEKVUZHEKX-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354212 485076128 /nfs/dbraw/zinc/07/61/28/485076128.db2.gz FVMMJVGEZNARBS-CVEARBPZSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354212 485076122 /nfs/dbraw/zinc/07/61/22/485076122.db2.gz FVMMJVGEZNARBS-CVEARBPZSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354213 485076314 /nfs/dbraw/zinc/07/63/14/485076314.db2.gz FVMMJVGEZNARBS-HOTGVXAUSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354213 485076308 /nfs/dbraw/zinc/07/63/08/485076308.db2.gz FVMMJVGEZNARBS-HOTGVXAUSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354214 485076623 /nfs/dbraw/zinc/07/66/23/485076623.db2.gz FVMMJVGEZNARBS-HZPDHXFCSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354214 485076616 /nfs/dbraw/zinc/07/66/16/485076616.db2.gz FVMMJVGEZNARBS-HZPDHXFCSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354215 485076297 /nfs/dbraw/zinc/07/62/97/485076297.db2.gz FVMMJVGEZNARBS-JKSUJKDBSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423354215 485076291 /nfs/dbraw/zinc/07/62/91/485076291.db2.gz FVMMJVGEZNARBS-JKSUJKDBSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423355555 485075883 /nfs/dbraw/zinc/07/58/83/485075883.db2.gz IDRAMWWOBQQTLC-CABCVRRESA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423355555 485075876 /nfs/dbraw/zinc/07/58/76/485075876.db2.gz IDRAMWWOBQQTLC-CABCVRRESA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423355556 485075681 /nfs/dbraw/zinc/07/56/81/485075681.db2.gz IDRAMWWOBQQTLC-GJZGRUSLSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423355556 485075674 /nfs/dbraw/zinc/07/56/74/485075674.db2.gz IDRAMWWOBQQTLC-GJZGRUSLSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423355557 485075779 /nfs/dbraw/zinc/07/57/79/485075779.db2.gz IDRAMWWOBQQTLC-HUUCEWRRSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423355557 485075773 /nfs/dbraw/zinc/07/57/73/485075773.db2.gz IDRAMWWOBQQTLC-HUUCEWRRSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423355558 485076232 /nfs/dbraw/zinc/07/62/32/485076232.db2.gz IDRAMWWOBQQTLC-LSDHHAIUSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423355558 485076229 /nfs/dbraw/zinc/07/62/29/485076229.db2.gz IDRAMWWOBQQTLC-LSDHHAIUSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC[N@H+]1C ZINC000423374141 485075816 /nfs/dbraw/zinc/07/58/16/485075816.db2.gz HVEREARFBHUXRP-CVEARBPZSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC[N@@H+]1C ZINC000423374141 485075812 /nfs/dbraw/zinc/07/58/12/485075812.db2.gz HVEREARFBHUXRP-CVEARBPZSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC[N@H+]1C ZINC000423374142 485076106 /nfs/dbraw/zinc/07/61/06/485076106.db2.gz HVEREARFBHUXRP-HOTGVXAUSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC[N@@H+]1C ZINC000423374142 485076102 /nfs/dbraw/zinc/07/61/02/485076102.db2.gz HVEREARFBHUXRP-HOTGVXAUSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC[N@H+]1C ZINC000423374143 485076197 /nfs/dbraw/zinc/07/61/97/485076197.db2.gz HVEREARFBHUXRP-HZPDHXFCSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC[N@@H+]1C ZINC000423374143 485076193 /nfs/dbraw/zinc/07/61/93/485076193.db2.gz HVEREARFBHUXRP-HZPDHXFCSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC[N@H+]1C ZINC000423374144 485076042 /nfs/dbraw/zinc/07/60/42/485076042.db2.gz HVEREARFBHUXRP-JKSUJKDBSA-N 2 1 366.506 -0.001 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC[N@@H+]1C ZINC000423374144 485076038 /nfs/dbraw/zinc/07/60/38/485076038.db2.gz HVEREARFBHUXRP-JKSUJKDBSA-N 2 1 366.506 -0.001 20 0 FBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423376873 485080330 /nfs/dbraw/zinc/08/03/30/485080330.db2.gz JEKLRRAHZQVIFO-INIZCTEOSA-N 2 1 359.474 -0.173 20 0 FBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423376877 485080483 /nfs/dbraw/zinc/08/04/83/485080483.db2.gz JEKLRRAHZQVIFO-MRXNPFEDSA-N 2 1 359.474 -0.173 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000423377252 485080304 /nfs/dbraw/zinc/08/03/04/485080304.db2.gz KDTGKBQEZHDNLC-CABCVRRESA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000423377252 485080299 /nfs/dbraw/zinc/08/02/99/485080299.db2.gz KDTGKBQEZHDNLC-CABCVRRESA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000423377253 485079883 /nfs/dbraw/zinc/07/98/83/485079883.db2.gz KDTGKBQEZHDNLC-GJZGRUSLSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000423377253 485079878 /nfs/dbraw/zinc/07/98/78/485079878.db2.gz KDTGKBQEZHDNLC-GJZGRUSLSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000423377254 485079923 /nfs/dbraw/zinc/07/99/23/485079923.db2.gz KDTGKBQEZHDNLC-HUUCEWRRSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000423377254 485079920 /nfs/dbraw/zinc/07/99/20/485079920.db2.gz KDTGKBQEZHDNLC-HUUCEWRRSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000423377255 485080877 /nfs/dbraw/zinc/08/08/77/485080877.db2.gz KDTGKBQEZHDNLC-LSDHHAIUSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1C ZINC000423377255 485080870 /nfs/dbraw/zinc/08/08/70/485080870.db2.gz KDTGKBQEZHDNLC-LSDHHAIUSA-N 2 1 367.494 -0.902 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423377821 485080567 /nfs/dbraw/zinc/08/05/67/485080567.db2.gz KLIGEGZEPDMMDR-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423377821 485080561 /nfs/dbraw/zinc/08/05/61/485080561.db2.gz KLIGEGZEPDMMDR-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423377822 485080277 /nfs/dbraw/zinc/08/02/77/485080277.db2.gz KLIGEGZEPDMMDR-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423377822 485080273 /nfs/dbraw/zinc/08/02/73/485080273.db2.gz KLIGEGZEPDMMDR-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423377823 485080715 /nfs/dbraw/zinc/08/07/15/485080715.db2.gz KLIGEGZEPDMMDR-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423377823 485080709 /nfs/dbraw/zinc/08/07/09/485080709.db2.gz KLIGEGZEPDMMDR-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423377824 485080844 /nfs/dbraw/zinc/08/08/44/485080844.db2.gz KLIGEGZEPDMMDR-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423377824 485080837 /nfs/dbraw/zinc/08/08/37/485080837.db2.gz KLIGEGZEPDMMDR-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000423380674 485080633 /nfs/dbraw/zinc/08/06/33/485080633.db2.gz HJAFEYLCJRKQAJ-KFWWJZLASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423380675 485079900 /nfs/dbraw/zinc/07/99/00/485079900.db2.gz HJAFEYLCJRKQAJ-KKUMJFAQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423380676 485080539 /nfs/dbraw/zinc/08/05/39/485080539.db2.gz HJAFEYLCJRKQAJ-ZNMIVQPWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H]1C ZINC000423383050 485081005 /nfs/dbraw/zinc/08/10/05/485081005.db2.gz KHZXQJSVORKMPU-ILXRZTDVSA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H]1C ZINC000423383050 485081000 /nfs/dbraw/zinc/08/10/00/485081000.db2.gz KHZXQJSVORKMPU-ILXRZTDVSA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H]1C ZINC000423383051 485080170 /nfs/dbraw/zinc/08/01/70/485080170.db2.gz KHZXQJSVORKMPU-KKUMJFAQSA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H]1C ZINC000423383051 485080166 /nfs/dbraw/zinc/08/01/66/485080166.db2.gz KHZXQJSVORKMPU-KKUMJFAQSA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H]1C ZINC000423383052 485080604 /nfs/dbraw/zinc/08/06/04/485080604.db2.gz KHZXQJSVORKMPU-QLFBSQMISA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H]1C ZINC000423383052 485080596 /nfs/dbraw/zinc/08/05/96/485080596.db2.gz KHZXQJSVORKMPU-QLFBSQMISA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H]1C ZINC000423383053 485080098 /nfs/dbraw/zinc/08/00/98/485080098.db2.gz KHZXQJSVORKMPU-SOUVJXGZSA-N 2 1 367.494 -0.759 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H]1C ZINC000423383053 485080095 /nfs/dbraw/zinc/08/00/95/485080095.db2.gz KHZXQJSVORKMPU-SOUVJXGZSA-N 2 1 367.494 -0.759 20 0 FBADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423385948 484319780 /nfs/dbraw/zinc/31/97/80/484319780.db2.gz LNBRLLITVOHTHW-UHFFFAOYSA-N 2 1 361.490 -0.055 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423388501 485082167 /nfs/dbraw/zinc/08/21/67/485082167.db2.gz UBSARVSCSPBWSC-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423388501 485082162 /nfs/dbraw/zinc/08/21/62/485082162.db2.gz UBSARVSCSPBWSC-CVEARBPZSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423388504 485082246 /nfs/dbraw/zinc/08/22/46/485082246.db2.gz UBSARVSCSPBWSC-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423388504 485082239 /nfs/dbraw/zinc/08/22/39/485082239.db2.gz UBSARVSCSPBWSC-HOTGVXAUSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423388508 485081522 /nfs/dbraw/zinc/08/15/22/485081522.db2.gz UBSARVSCSPBWSC-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423388508 485081518 /nfs/dbraw/zinc/08/15/18/485081518.db2.gz UBSARVSCSPBWSC-HZPDHXFCSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423388511 485081792 /nfs/dbraw/zinc/08/17/92/485081792.db2.gz UBSARVSCSPBWSC-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423388511 485081788 /nfs/dbraw/zinc/08/17/88/485081788.db2.gz UBSARVSCSPBWSC-JKSUJKDBSA-N 2 1 351.495 -0.709 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423392619 485081707 /nfs/dbraw/zinc/08/17/07/485081707.db2.gz ONFQGITUXJBKCJ-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423392621 485082288 /nfs/dbraw/zinc/08/22/88/485082288.db2.gz ONFQGITUXJBKCJ-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423392622 485082327 /nfs/dbraw/zinc/08/23/27/485082327.db2.gz ONFQGITUXJBKCJ-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423392624 485082314 /nfs/dbraw/zinc/08/23/14/485082314.db2.gz ONFQGITUXJBKCJ-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000423393889 485081854 /nfs/dbraw/zinc/08/18/54/485081854.db2.gz RNWWSUCNVPESMX-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000423393890 485081543 /nfs/dbraw/zinc/08/15/43/485081543.db2.gz RNWWSUCNVPESMX-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423394679 485082408 /nfs/dbraw/zinc/08/24/08/485082408.db2.gz MXSJTUYIERUIDP-RDTXWAMCSA-N 2 1 352.479 -0.247 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423396068 485082302 /nfs/dbraw/zinc/08/23/02/485082302.db2.gz RGCMPYAFRDUHCM-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423396069 485082227 /nfs/dbraw/zinc/08/22/27/485082227.db2.gz RGCMPYAFRDUHCM-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423396070 485081644 /nfs/dbraw/zinc/08/16/44/485081644.db2.gz RGCMPYAFRDUHCM-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423396071 485082341 /nfs/dbraw/zinc/08/23/41/485082341.db2.gz RGCMPYAFRDUHCM-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423399204 485078969 /nfs/dbraw/zinc/07/89/69/485078969.db2.gz WCZWSFNFJJALRT-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423424502 485079284 /nfs/dbraw/zinc/07/92/84/485079284.db2.gz FUUOZUKTAKHKPP-HNNXBMFYSA-N 2 1 369.510 -0.559 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423424803 485079404 /nfs/dbraw/zinc/07/94/04/485079404.db2.gz FUUOZUKTAKHKPP-OAHLLOKOSA-N 2 1 369.510 -0.559 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423427790 485079172 /nfs/dbraw/zinc/07/91/72/485079172.db2.gz JSOYZRCEULQIIF-UHFFFAOYSA-N 2 1 355.483 -0.948 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@]1(C)C[NH3+] ZINC000423428121 485079191 /nfs/dbraw/zinc/07/91/91/485079191.db2.gz JYUDTOWKUBANKV-RDTXWAMCSA-N 2 1 367.494 -0.948 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000423429139 485080024 /nfs/dbraw/zinc/08/00/24/485080024.db2.gz LBJHTXIQFBNEEW-CABCVRRESA-N 2 1 367.494 -0.948 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000423429140 485080115 /nfs/dbraw/zinc/08/01/15/485080115.db2.gz LBJHTXIQFBNEEW-GJZGRUSLSA-N 2 1 367.494 -0.948 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000423429141 485080262 /nfs/dbraw/zinc/08/02/62/485080262.db2.gz LBJHTXIQFBNEEW-HUUCEWRRSA-N 2 1 367.494 -0.948 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000423429142 485080408 /nfs/dbraw/zinc/08/04/08/485080408.db2.gz LBJHTXIQFBNEEW-LSDHHAIUSA-N 2 1 367.494 -0.948 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423437110 485082130 /nfs/dbraw/zinc/08/21/30/485082130.db2.gz FYMPTESGJNIHRT-GASCZTMLSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000423440542 485083694 /nfs/dbraw/zinc/08/36/94/485083694.db2.gz ARAGSQYHYFGLNN-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000423440542 485083686 /nfs/dbraw/zinc/08/36/86/485083686.db2.gz ARAGSQYHYFGLNN-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000423440543 485083453 /nfs/dbraw/zinc/08/34/53/485083453.db2.gz ARAGSQYHYFGLNN-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000423440543 485083447 /nfs/dbraw/zinc/08/34/47/485083447.db2.gz ARAGSQYHYFGLNN-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000423440544 485082920 /nfs/dbraw/zinc/08/29/20/485082920.db2.gz ARAGSQYHYFGLNN-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000423440544 485082915 /nfs/dbraw/zinc/08/29/15/485082915.db2.gz ARAGSQYHYFGLNN-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000423440545 485083634 /nfs/dbraw/zinc/08/36/34/485083634.db2.gz ARAGSQYHYFGLNN-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000423440545 485083627 /nfs/dbraw/zinc/08/36/27/485083627.db2.gz ARAGSQYHYFGLNN-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423441976 485083501 /nfs/dbraw/zinc/08/35/01/485083501.db2.gz YRDCHJQLQLVMPM-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423441977 485082855 /nfs/dbraw/zinc/08/28/55/485082855.db2.gz YRDCHJQLQLVMPM-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423446975 485083044 /nfs/dbraw/zinc/08/30/44/485083044.db2.gz OKXVSSGDTKOFCZ-CVEARBPZSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423446976 485083546 /nfs/dbraw/zinc/08/35/46/485083546.db2.gz OKXVSSGDTKOFCZ-HOTGVXAUSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423446978 485083267 /nfs/dbraw/zinc/08/32/67/485083267.db2.gz OKXVSSGDTKOFCZ-HZPDHXFCSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423446979 485083670 /nfs/dbraw/zinc/08/36/70/485083670.db2.gz OKXVSSGDTKOFCZ-JKSUJKDBSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423449754 485083365 /nfs/dbraw/zinc/08/33/65/485083365.db2.gz SAPHHHFBKNYLDT-CVEARBPZSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423449755 485082972 /nfs/dbraw/zinc/08/29/72/485082972.db2.gz SAPHHHFBKNYLDT-HOTGVXAUSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423449756 485083415 /nfs/dbraw/zinc/08/34/15/485083415.db2.gz SAPHHHFBKNYLDT-HZPDHXFCSA-N 2 1 366.506 -0.129 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423449757 485082980 /nfs/dbraw/zinc/08/29/80/485082980.db2.gz SAPHHHFBKNYLDT-JKSUJKDBSA-N 2 1 366.506 -0.129 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423455831 485083655 /nfs/dbraw/zinc/08/36/55/485083655.db2.gz CZCHPBNFBVORIA-KBPBESRZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423455831 485083648 /nfs/dbraw/zinc/08/36/48/485083648.db2.gz CZCHPBNFBVORIA-KBPBESRZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423455832 485083140 /nfs/dbraw/zinc/08/31/40/485083140.db2.gz CZCHPBNFBVORIA-KGLIPLIRSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423455832 485083138 /nfs/dbraw/zinc/08/31/38/485083138.db2.gz CZCHPBNFBVORIA-KGLIPLIRSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423455833 485083073 /nfs/dbraw/zinc/08/30/73/485083073.db2.gz CZCHPBNFBVORIA-UONOGXRCSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423455833 485083068 /nfs/dbraw/zinc/08/30/68/485083068.db2.gz CZCHPBNFBVORIA-UONOGXRCSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423455834 485083347 /nfs/dbraw/zinc/08/33/47/485083347.db2.gz CZCHPBNFBVORIA-ZIAGYGMSSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423455834 485083344 /nfs/dbraw/zinc/08/33/44/485083344.db2.gz CZCHPBNFBVORIA-ZIAGYGMSSA-N 2 1 354.495 -0.124 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423457057 485082871 /nfs/dbraw/zinc/08/28/71/485082871.db2.gz FFMIGIBERZOEMY-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423457057 485082866 /nfs/dbraw/zinc/08/28/66/485082866.db2.gz FFMIGIBERZOEMY-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423457058 485083780 /nfs/dbraw/zinc/08/37/80/485083780.db2.gz FFMIGIBERZOEMY-GJZGRUSLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423457058 485083775 /nfs/dbraw/zinc/08/37/75/485083775.db2.gz FFMIGIBERZOEMY-GJZGRUSLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423457059 485083176 /nfs/dbraw/zinc/08/31/76/485083176.db2.gz FFMIGIBERZOEMY-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423457059 485083169 /nfs/dbraw/zinc/08/31/69/485083169.db2.gz FFMIGIBERZOEMY-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423457060 485083481 /nfs/dbraw/zinc/08/34/81/485083481.db2.gz FFMIGIBERZOEMY-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423457060 485083473 /nfs/dbraw/zinc/08/34/73/485083473.db2.gz FFMIGIBERZOEMY-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423457067 485083127 /nfs/dbraw/zinc/08/31/27/485083127.db2.gz FGKSMFDEVFDGID-AWEZNQCLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423457067 485083120 /nfs/dbraw/zinc/08/31/20/485083120.db2.gz FGKSMFDEVFDGID-AWEZNQCLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423457068 485083296 /nfs/dbraw/zinc/08/32/96/485083296.db2.gz FGKSMFDEVFDGID-CQSZACIVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423457068 485083293 /nfs/dbraw/zinc/08/32/93/485083293.db2.gz FGKSMFDEVFDGID-CQSZACIVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423469364 485084869 /nfs/dbraw/zinc/08/48/69/485084869.db2.gz OVOYCKGRBJDXJL-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423469364 485084866 /nfs/dbraw/zinc/08/48/66/485084866.db2.gz OVOYCKGRBJDXJL-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423469365 485084412 /nfs/dbraw/zinc/08/44/12/485084412.db2.gz OVOYCKGRBJDXJL-KKUMJFAQSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423469365 485084408 /nfs/dbraw/zinc/08/44/08/485084408.db2.gz OVOYCKGRBJDXJL-KKUMJFAQSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423469366 485084228 /nfs/dbraw/zinc/08/42/28/485084228.db2.gz OVOYCKGRBJDXJL-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000423469366 485084223 /nfs/dbraw/zinc/08/42/23/485084223.db2.gz OVOYCKGRBJDXJL-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423469367 485084796 /nfs/dbraw/zinc/08/47/96/485084796.db2.gz OVOYCKGRBJDXJL-SOUVJXGZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000423469367 485084792 /nfs/dbraw/zinc/08/47/92/485084792.db2.gz OVOYCKGRBJDXJL-SOUVJXGZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423472546 485084962 /nfs/dbraw/zinc/08/49/62/485084962.db2.gz QGFCQAMBUHWVHZ-HBUWYVDXSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423472546 485084957 /nfs/dbraw/zinc/08/49/57/485084957.db2.gz QGFCQAMBUHWVHZ-HBUWYVDXSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423472549 485084697 /nfs/dbraw/zinc/08/46/97/485084697.db2.gz QGFCQAMBUHWVHZ-QWQRMKEZSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423472549 485084693 /nfs/dbraw/zinc/08/46/93/485084693.db2.gz QGFCQAMBUHWVHZ-QWQRMKEZSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423475488 485084592 /nfs/dbraw/zinc/08/45/92/485084592.db2.gz IBKYWUTYECJMCA-IIDMSEBBSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423475490 485084514 /nfs/dbraw/zinc/08/45/14/485084514.db2.gz IBKYWUTYECJMCA-RVKKMQEKSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423475795 485084312 /nfs/dbraw/zinc/08/43/12/485084312.db2.gz SDKGSRUCDBAMIN-CABCVRRESA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423475795 485084306 /nfs/dbraw/zinc/08/43/06/485084306.db2.gz SDKGSRUCDBAMIN-CABCVRRESA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423475798 485084813 /nfs/dbraw/zinc/08/48/13/485084813.db2.gz SDKGSRUCDBAMIN-GJZGRUSLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423475798 485084808 /nfs/dbraw/zinc/08/48/08/485084808.db2.gz SDKGSRUCDBAMIN-GJZGRUSLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423475800 485084548 /nfs/dbraw/zinc/08/45/48/485084548.db2.gz SDKGSRUCDBAMIN-HUUCEWRRSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423475800 485084543 /nfs/dbraw/zinc/08/45/43/485084543.db2.gz SDKGSRUCDBAMIN-HUUCEWRRSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423475801 485084890 /nfs/dbraw/zinc/08/48/90/485084890.db2.gz SDKGSRUCDBAMIN-LSDHHAIUSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423475801 485084887 /nfs/dbraw/zinc/08/48/87/485084887.db2.gz SDKGSRUCDBAMIN-LSDHHAIUSA-N 2 1 354.495 -0.123 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423476444 485084842 /nfs/dbraw/zinc/08/48/42/485084842.db2.gz LLHDDYVAIPYODR-FGTMMUONSA-N 2 1 372.469 -0.237 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423476449 485084990 /nfs/dbraw/zinc/08/49/90/485084990.db2.gz LLHDDYVAIPYODR-KSZLIROESA-N 2 1 372.469 -0.237 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC[NH2+]1 ZINC000423477151 485084442 /nfs/dbraw/zinc/08/44/42/485084442.db2.gz JOPJKPJDJNRIRN-PMRDEQMMSA-N 2 1 363.506 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC[NH2+]1 ZINC000423477152 485084120 /nfs/dbraw/zinc/08/41/20/485084120.db2.gz JOPJKPJDJNRIRN-VPSFDDGASA-N 2 1 363.506 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H]1[NH3+] ZINC000423480167 485084635 /nfs/dbraw/zinc/08/46/35/485084635.db2.gz NBPKODILPRXCOH-CTVHLWBWSA-N 2 1 363.506 -0.439 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000423481178 485089099 /nfs/dbraw/zinc/08/90/99/485089099.db2.gz WSNWUSFSEMEVSH-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000423481178 485089093 /nfs/dbraw/zinc/08/90/93/485089093.db2.gz WSNWUSFSEMEVSH-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000423481179 485089198 /nfs/dbraw/zinc/08/91/98/485089198.db2.gz WSNWUSFSEMEVSH-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000423481179 485089193 /nfs/dbraw/zinc/08/91/93/485089193.db2.gz WSNWUSFSEMEVSH-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423487269 485085701 /nfs/dbraw/zinc/08/57/01/485085701.db2.gz UASPIBIMNFEESV-CVEARBPZSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423487272 485085826 /nfs/dbraw/zinc/08/58/26/485085826.db2.gz UASPIBIMNFEESV-HOTGVXAUSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423487275 485086235 /nfs/dbraw/zinc/08/62/35/485086235.db2.gz UASPIBIMNFEESV-HZPDHXFCSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423487277 485085759 /nfs/dbraw/zinc/08/57/59/485085759.db2.gz UASPIBIMNFEESV-JKSUJKDBSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423493573 485086080 /nfs/dbraw/zinc/08/60/80/485086080.db2.gz BWVLNPHYGGVKGM-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423493574 485085841 /nfs/dbraw/zinc/08/58/41/485085841.db2.gz BWVLNPHYGGVKGM-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423504233 485085370 /nfs/dbraw/zinc/08/53/70/485085370.db2.gz FUHHJXYACBNAFN-AWEZNQCLSA-N 2 1 367.494 -0.805 20 0 FBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423504236 485085771 /nfs/dbraw/zinc/08/57/71/485085771.db2.gz FUHHJXYACBNAFN-CQSZACIVSA-N 2 1 367.494 -0.805 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C[NH2+]1 ZINC000423507170 485086104 /nfs/dbraw/zinc/08/61/04/485086104.db2.gz PSTILWIFYGEWCD-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C[NH2+]1 ZINC000423507173 485085863 /nfs/dbraw/zinc/08/58/63/485085863.db2.gz PSTILWIFYGEWCD-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C[NH2+]1 ZINC000423507175 485085417 /nfs/dbraw/zinc/08/54/17/485085417.db2.gz PSTILWIFYGEWCD-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C[NH2+]1 ZINC000423507177 485085989 /nfs/dbraw/zinc/08/59/89/485085989.db2.gz PSTILWIFYGEWCD-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423526569 485086982 /nfs/dbraw/zinc/08/69/82/485086982.db2.gz LPSPCTOEANBUGF-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423526569 485086977 /nfs/dbraw/zinc/08/69/77/485086977.db2.gz LPSPCTOEANBUGF-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423526570 485086965 /nfs/dbraw/zinc/08/69/65/485086965.db2.gz LPSPCTOEANBUGF-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423526570 485086958 /nfs/dbraw/zinc/08/69/58/485086958.db2.gz LPSPCTOEANBUGF-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423530004 485087561 /nfs/dbraw/zinc/08/75/61/485087561.db2.gz QWAGERZSOUQZMO-CVEARBPZSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423530004 485087555 /nfs/dbraw/zinc/08/75/55/485087555.db2.gz QWAGERZSOUQZMO-CVEARBPZSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423530005 485087645 /nfs/dbraw/zinc/08/76/45/485087645.db2.gz QWAGERZSOUQZMO-HOTGVXAUSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423530005 485087640 /nfs/dbraw/zinc/08/76/40/485087640.db2.gz QWAGERZSOUQZMO-HOTGVXAUSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423530006 485087515 /nfs/dbraw/zinc/08/75/15/485087515.db2.gz QWAGERZSOUQZMO-HZPDHXFCSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423530006 485087508 /nfs/dbraw/zinc/08/75/08/485087508.db2.gz QWAGERZSOUQZMO-HZPDHXFCSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423530007 485086687 /nfs/dbraw/zinc/08/66/87/485086687.db2.gz QWAGERZSOUQZMO-JKSUJKDBSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423530007 485086679 /nfs/dbraw/zinc/08/66/79/485086679.db2.gz QWAGERZSOUQZMO-JKSUJKDBSA-N 2 1 370.494 -0.478 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423533824 485087106 /nfs/dbraw/zinc/08/71/06/485087106.db2.gz YVQRORWWGIQQQP-CABCVRRESA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423533824 485087100 /nfs/dbraw/zinc/08/71/00/485087100.db2.gz YVQRORWWGIQQQP-CABCVRRESA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423533825 485087807 /nfs/dbraw/zinc/08/78/07/485087807.db2.gz YVQRORWWGIQQQP-GJZGRUSLSA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423533825 485087803 /nfs/dbraw/zinc/08/78/03/485087803.db2.gz YVQRORWWGIQQQP-GJZGRUSLSA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423533826 485086760 /nfs/dbraw/zinc/08/67/60/485086760.db2.gz YVQRORWWGIQQQP-HUUCEWRRSA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423533826 485086753 /nfs/dbraw/zinc/08/67/53/485086753.db2.gz YVQRORWWGIQQQP-HUUCEWRRSA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423533827 485086826 /nfs/dbraw/zinc/08/68/26/485086826.db2.gz YVQRORWWGIQQQP-LSDHHAIUSA-N 2 1 356.467 -0.868 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423533827 485086819 /nfs/dbraw/zinc/08/68/19/485086819.db2.gz YVQRORWWGIQQQP-LSDHHAIUSA-N 2 1 356.467 -0.868 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423534612 485087379 /nfs/dbraw/zinc/08/73/79/485087379.db2.gz AMKGJOVMRNMSDQ-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423534612 485087374 /nfs/dbraw/zinc/08/73/74/485087374.db2.gz AMKGJOVMRNMSDQ-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000423534613 485087443 /nfs/dbraw/zinc/08/74/43/485087443.db2.gz AMKGJOVMRNMSDQ-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000423534613 485087438 /nfs/dbraw/zinc/08/74/38/485087438.db2.gz AMKGJOVMRNMSDQ-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423534614 485087340 /nfs/dbraw/zinc/08/73/40/485087340.db2.gz AMKGJOVMRNMSDQ-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423534614 485087332 /nfs/dbraw/zinc/08/73/32/485087332.db2.gz AMKGJOVMRNMSDQ-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1C[NH3+] ZINC000423534615 485086926 /nfs/dbraw/zinc/08/69/26/485086926.db2.gz AMKGJOVMRNMSDQ-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1C[NH3+] ZINC000423534615 485086922 /nfs/dbraw/zinc/08/69/22/485086922.db2.gz AMKGJOVMRNMSDQ-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423535094 485087225 /nfs/dbraw/zinc/08/72/25/485087225.db2.gz BZRPJSPJSLSWTG-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423535094 485087217 /nfs/dbraw/zinc/08/72/17/485087217.db2.gz BZRPJSPJSLSWTG-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423535095 485087614 /nfs/dbraw/zinc/08/76/14/485087614.db2.gz BZRPJSPJSLSWTG-KKUMJFAQSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423535095 485087611 /nfs/dbraw/zinc/08/76/11/485087611.db2.gz BZRPJSPJSLSWTG-KKUMJFAQSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423535096 485087056 /nfs/dbraw/zinc/08/70/56/485087056.db2.gz BZRPJSPJSLSWTG-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423535096 485087049 /nfs/dbraw/zinc/08/70/49/485087049.db2.gz BZRPJSPJSLSWTG-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423535097 485087862 /nfs/dbraw/zinc/08/78/62/485087862.db2.gz BZRPJSPJSLSWTG-SOUVJXGZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423535097 485087858 /nfs/dbraw/zinc/08/78/58/485087858.db2.gz BZRPJSPJSLSWTG-SOUVJXGZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423536107 485088921 /nfs/dbraw/zinc/08/89/21/485088921.db2.gz GOHAICKFEDNBTK-AWEZNQCLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423536107 485088915 /nfs/dbraw/zinc/08/89/15/485088915.db2.gz GOHAICKFEDNBTK-AWEZNQCLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423536108 485088844 /nfs/dbraw/zinc/08/88/44/485088844.db2.gz GOHAICKFEDNBTK-CQSZACIVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423536108 485088834 /nfs/dbraw/zinc/08/88/34/485088834.db2.gz GOHAICKFEDNBTK-CQSZACIVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423536853 485089703 /nfs/dbraw/zinc/08/97/03/485089703.db2.gz IJIGNVWJRJRLFV-HBUWYVDXSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423536853 485089699 /nfs/dbraw/zinc/08/96/99/485089699.db2.gz IJIGNVWJRJRLFV-HBUWYVDXSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423536854 485089418 /nfs/dbraw/zinc/08/94/18/485089418.db2.gz IJIGNVWJRJRLFV-QWQRMKEZSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423536854 485089412 /nfs/dbraw/zinc/08/94/12/485089412.db2.gz IJIGNVWJRJRLFV-QWQRMKEZSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423537866 485088823 /nfs/dbraw/zinc/08/88/23/485088823.db2.gz LFPMZTRIRGOEDF-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423537866 485088819 /nfs/dbraw/zinc/08/88/19/485088819.db2.gz LFPMZTRIRGOEDF-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423537869 485088444 /nfs/dbraw/zinc/08/84/44/485088444.db2.gz LFPMZTRIRGOEDF-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423537869 485088439 /nfs/dbraw/zinc/08/84/39/485088439.db2.gz LFPMZTRIRGOEDF-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423538186 485089383 /nfs/dbraw/zinc/08/93/83/485089383.db2.gz MFILQFIANGOZBE-CABCVRRESA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423538186 485089381 /nfs/dbraw/zinc/08/93/81/485089381.db2.gz MFILQFIANGOZBE-CABCVRRESA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423538187 485089763 /nfs/dbraw/zinc/08/97/63/485089763.db2.gz MFILQFIANGOZBE-GJZGRUSLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423538187 485089759 /nfs/dbraw/zinc/08/97/59/485089759.db2.gz MFILQFIANGOZBE-GJZGRUSLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423538188 485089399 /nfs/dbraw/zinc/08/93/99/485089399.db2.gz MFILQFIANGOZBE-HUUCEWRRSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423538188 485089394 /nfs/dbraw/zinc/08/93/94/485089394.db2.gz MFILQFIANGOZBE-HUUCEWRRSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423538189 485089446 /nfs/dbraw/zinc/08/94/46/485089446.db2.gz MFILQFIANGOZBE-LSDHHAIUSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423538189 485089442 /nfs/dbraw/zinc/08/94/42/485089442.db2.gz MFILQFIANGOZBE-LSDHHAIUSA-N 2 1 354.495 -0.123 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423540925 485089272 /nfs/dbraw/zinc/08/92/72/485089272.db2.gz RDTIIWNQLACHPC-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423540925 485089266 /nfs/dbraw/zinc/08/92/66/485089266.db2.gz RDTIIWNQLACHPC-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423540926 485088937 /nfs/dbraw/zinc/08/89/37/485088937.db2.gz RDTIIWNQLACHPC-GJZGRUSLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423540926 485088935 /nfs/dbraw/zinc/08/89/35/485088935.db2.gz RDTIIWNQLACHPC-GJZGRUSLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423540927 485088769 /nfs/dbraw/zinc/08/87/69/485088769.db2.gz RDTIIWNQLACHPC-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000423540927 485088760 /nfs/dbraw/zinc/08/87/60/485088760.db2.gz RDTIIWNQLACHPC-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423540928 485091475 /nfs/dbraw/zinc/09/14/75/485091475.db2.gz RDTIIWNQLACHPC-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000423540928 485091472 /nfs/dbraw/zinc/09/14/72/485091472.db2.gz RDTIIWNQLACHPC-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541473 485090527 /nfs/dbraw/zinc/09/05/27/485090527.db2.gz RYTRKAWMRFZSKS-KBPBESRZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541473 485090521 /nfs/dbraw/zinc/09/05/21/485090521.db2.gz RYTRKAWMRFZSKS-KBPBESRZSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541474 485090505 /nfs/dbraw/zinc/09/05/05/485090505.db2.gz RYTRKAWMRFZSKS-KGLIPLIRSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541474 485090500 /nfs/dbraw/zinc/09/05/00/485090500.db2.gz RYTRKAWMRFZSKS-KGLIPLIRSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541475 485091412 /nfs/dbraw/zinc/09/14/12/485091412.db2.gz RYTRKAWMRFZSKS-UONOGXRCSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541475 485091408 /nfs/dbraw/zinc/09/14/08/485091408.db2.gz RYTRKAWMRFZSKS-UONOGXRCSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541477 485091375 /nfs/dbraw/zinc/09/13/75/485091375.db2.gz RYTRKAWMRFZSKS-ZIAGYGMSSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541477 485091370 /nfs/dbraw/zinc/09/13/70/485091370.db2.gz RYTRKAWMRFZSKS-ZIAGYGMSSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423552806 485092716 /nfs/dbraw/zinc/09/27/16/485092716.db2.gz PZAGKEBPDOGQKW-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423552808 485092162 /nfs/dbraw/zinc/09/21/62/485092162.db2.gz PZAGKEBPDOGQKW-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423552809 485093157 /nfs/dbraw/zinc/09/31/57/485093157.db2.gz PZAGKEBPDOGQKW-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423552811 485092937 /nfs/dbraw/zinc/09/29/37/485092937.db2.gz PZAGKEBPDOGQKW-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423557073 485092598 /nfs/dbraw/zinc/09/25/98/485092598.db2.gz BZHIJUGNQDEVRH-IBGZPJMESA-N 2 1 360.458 -0.486 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423557080 485092817 /nfs/dbraw/zinc/09/28/17/485092817.db2.gz BZHIJUGNQDEVRH-LJQANCHMSA-N 2 1 360.458 -0.486 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558265 485093093 /nfs/dbraw/zinc/09/30/93/485093093.db2.gz CTGMFHKDOMHCSZ-MDYRTPRTSA-N 2 1 374.485 -0.113 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558268 485092833 /nfs/dbraw/zinc/09/28/33/485092833.db2.gz CTGMFHKDOMHCSZ-OXFYSEKESA-N 2 1 374.485 -0.113 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558269 485092906 /nfs/dbraw/zinc/09/29/06/485092906.db2.gz CTGMFHKDOMHCSZ-SYNHAJSKSA-N 2 1 374.485 -0.113 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558270 485092876 /nfs/dbraw/zinc/09/28/76/485092876.db2.gz CTGMFHKDOMHCSZ-WRWLIDTKSA-N 2 1 374.485 -0.113 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423558883 485092003 /nfs/dbraw/zinc/09/20/03/485092003.db2.gz DKJQLRCVTIAPIU-FXAWDEMLSA-N 2 1 374.485 -0.098 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423558890 485094294 /nfs/dbraw/zinc/09/42/94/485094294.db2.gz DKJQLRCVTIAPIU-PXNSSMCTSA-N 2 1 374.485 -0.098 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423558892 485093786 /nfs/dbraw/zinc/09/37/86/485093786.db2.gz DKJQLRCVTIAPIU-XLIONFOSSA-N 2 1 374.485 -0.098 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423558894 485094223 /nfs/dbraw/zinc/09/42/23/485094223.db2.gz DKJQLRCVTIAPIU-YLJYHZDGSA-N 2 1 374.485 -0.098 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566227 485095170 /nfs/dbraw/zinc/09/51/70/485095170.db2.gz JVQPHGDRMNLQFP-APWZRJJASA-N 2 1 360.458 -0.359 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566228 485095382 /nfs/dbraw/zinc/09/53/82/485095382.db2.gz JVQPHGDRMNLQFP-LPHOPBHVSA-N 2 1 360.458 -0.359 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566229 485095048 /nfs/dbraw/zinc/09/50/48/485095048.db2.gz JVQPHGDRMNLQFP-QFBILLFUSA-N 2 1 360.458 -0.359 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566230 485095514 /nfs/dbraw/zinc/09/55/14/485095514.db2.gz JVQPHGDRMNLQFP-VQIMIIECSA-N 2 1 360.458 -0.359 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574603 485096353 /nfs/dbraw/zinc/09/63/53/485096353.db2.gz UAMVENDCQZCIQV-JXFKEZNVSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574604 485096967 /nfs/dbraw/zinc/09/69/67/485096967.db2.gz UAMVENDCQZCIQV-OXJNMPFZSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574605 485096790 /nfs/dbraw/zinc/09/67/90/485096790.db2.gz UAMVENDCQZCIQV-OXQOHEQNSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574606 485096879 /nfs/dbraw/zinc/09/68/79/485096879.db2.gz UAMVENDCQZCIQV-UZLBHIALSA-N 2 1 374.485 -0.098 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000423585071 485098698 /nfs/dbraw/zinc/09/86/98/485098698.db2.gz ULPCOEMWKONQAS-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000423585075 485098338 /nfs/dbraw/zinc/09/83/38/485098338.db2.gz ULPCOEMWKONQAS-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423589540 485099079 /nfs/dbraw/zinc/09/90/79/485099079.db2.gz AAFJPORMKATJEA-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423589541 485098405 /nfs/dbraw/zinc/09/84/05/485098405.db2.gz AAFJPORMKATJEA-XHSDSOJGSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423592301 485100355 /nfs/dbraw/zinc/10/03/55/485100355.db2.gz DFYOUNFZDJALRC-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[NH2+]CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H]1C ZINC000423592302 485099847 /nfs/dbraw/zinc/09/98/47/485099847.db2.gz DFYOUNFZDJALRC-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[NH2+]CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1C ZINC000423592303 485099778 /nfs/dbraw/zinc/09/97/78/485099778.db2.gz DFYOUNFZDJALRC-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423592304 485099935 /nfs/dbraw/zinc/09/99/35/485099935.db2.gz DFYOUNFZDJALRC-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000423595491 485100437 /nfs/dbraw/zinc/10/04/37/485100437.db2.gz PXRSSFLILJOLTA-GASCZTMLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000423595491 485100432 /nfs/dbraw/zinc/10/04/32/485100432.db2.gz PXRSSFLILJOLTA-GASCZTMLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423598689 485099589 /nfs/dbraw/zinc/09/95/89/485099589.db2.gz WQHVVCYPZWWOLF-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423598690 485099960 /nfs/dbraw/zinc/09/99/60/485099960.db2.gz WQHVVCYPZWWOLF-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423598691 485100205 /nfs/dbraw/zinc/10/02/05/485100205.db2.gz WQHVVCYPZWWOLF-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423598692 485100101 /nfs/dbraw/zinc/10/01/01/485100101.db2.gz WQHVVCYPZWWOLF-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599177 485101387 /nfs/dbraw/zinc/10/13/87/485101387.db2.gz WYDITMSBLWGKMO-CABCVRRESA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599178 485100991 /nfs/dbraw/zinc/10/09/91/485100991.db2.gz WYDITMSBLWGKMO-GJZGRUSLSA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599179 485101198 /nfs/dbraw/zinc/10/11/98/485101198.db2.gz WYDITMSBLWGKMO-HUUCEWRRSA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599180 485101304 /nfs/dbraw/zinc/10/13/04/485101304.db2.gz WYDITMSBLWGKMO-LSDHHAIUSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423605553 485102289 /nfs/dbraw/zinc/10/22/89/485102289.db2.gz KADYHPIHRQWRQN-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423605554 485102885 /nfs/dbraw/zinc/10/28/85/485102885.db2.gz KADYHPIHRQWRQN-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423605556 485102377 /nfs/dbraw/zinc/10/23/77/485102377.db2.gz KADYHPIHRQWRQN-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423605558 485103149 /nfs/dbraw/zinc/10/31/49/485103149.db2.gz KADYHPIHRQWRQN-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423609952 485102669 /nfs/dbraw/zinc/10/26/69/485102669.db2.gz QERGTPMQNTWHGM-JXFKEZNVSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423609953 485102901 /nfs/dbraw/zinc/10/29/01/485102901.db2.gz QERGTPMQNTWHGM-OXJNMPFZSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423609954 485102739 /nfs/dbraw/zinc/10/27/39/485102739.db2.gz QERGTPMQNTWHGM-OXQOHEQNSA-N 2 1 374.485 -0.098 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423609955 485102573 /nfs/dbraw/zinc/10/25/73/485102573.db2.gz QERGTPMQNTWHGM-UZLBHIALSA-N 2 1 374.485 -0.098 20 0 FBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612985 485104779 /nfs/dbraw/zinc/10/47/79/485104779.db2.gz QKKFAFJVCBJGKG-FQEVSTJZSA-N 2 1 374.485 -0.096 20 0 FBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612986 485103904 /nfs/dbraw/zinc/10/39/04/485103904.db2.gz QKKFAFJVCBJGKG-HXUWFJFHSA-N 2 1 374.485 -0.096 20 0 FBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000423614405 485103744 /nfs/dbraw/zinc/10/37/44/485103744.db2.gz XAILEGFETLIDJC-PMRDEQMMSA-N 2 1 363.506 -0.424 20 0 FBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000423614406 485104350 /nfs/dbraw/zinc/10/43/50/485104350.db2.gz XAILEGFETLIDJC-VPSFDDGASA-N 2 1 363.506 -0.424 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423619010 485106194 /nfs/dbraw/zinc/10/61/94/485106194.db2.gz ZTGGCCOZTBRJJZ-INIZCTEOSA-N 2 1 351.495 -0.563 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423619013 485105235 /nfs/dbraw/zinc/10/52/35/485105235.db2.gz ZTGGCCOZTBRJJZ-MRXNPFEDSA-N 2 1 351.495 -0.563 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423620139 485105589 /nfs/dbraw/zinc/10/55/89/485105589.db2.gz WBSCSMWZOVPNMT-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423620139 485105583 /nfs/dbraw/zinc/10/55/83/485105583.db2.gz WBSCSMWZOVPNMT-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423620143 485105156 /nfs/dbraw/zinc/10/51/56/485105156.db2.gz WBSCSMWZOVPNMT-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423620143 485105151 /nfs/dbraw/zinc/10/51/51/485105151.db2.gz WBSCSMWZOVPNMT-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423626866 485107381 /nfs/dbraw/zinc/10/73/81/485107381.db2.gz SXYTVWUSVJJAHR-INIZCTEOSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423626866 485107378 /nfs/dbraw/zinc/10/73/78/485107378.db2.gz SXYTVWUSVJJAHR-INIZCTEOSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423626868 485106796 /nfs/dbraw/zinc/10/67/96/485106796.db2.gz SXYTVWUSVJJAHR-MRXNPFEDSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423626868 485106792 /nfs/dbraw/zinc/10/67/92/485106792.db2.gz SXYTVWUSVJJAHR-MRXNPFEDSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)CC[NH+](C)C ZINC000423628308 485107211 /nfs/dbraw/zinc/10/72/11/485107211.db2.gz AKJQNGNTRIQTPW-BBWFWOEESA-N 2 1 367.538 -0.086 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423628308 485107209 /nfs/dbraw/zinc/10/72/09/485107209.db2.gz AKJQNGNTRIQTPW-BBWFWOEESA-N 2 1 367.538 -0.086 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)CC[NH+](C)C ZINC000423628313 485107280 /nfs/dbraw/zinc/10/72/80/485107280.db2.gz AKJQNGNTRIQTPW-GVDBMIGSSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423628313 485107277 /nfs/dbraw/zinc/10/72/77/485107277.db2.gz AKJQNGNTRIQTPW-GVDBMIGSSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)CC[NH+](C)C ZINC000423628315 485106994 /nfs/dbraw/zinc/10/69/94/485106994.db2.gz AKJQNGNTRIQTPW-ULQDDVLXSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423628315 485106988 /nfs/dbraw/zinc/10/69/88/485106988.db2.gz AKJQNGNTRIQTPW-ULQDDVLXSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)CC[NH+](C)C ZINC000423628318 485107096 /nfs/dbraw/zinc/10/70/96/485107096.db2.gz AKJQNGNTRIQTPW-YESZJQIVSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423628318 485107092 /nfs/dbraw/zinc/10/70/92/485107092.db2.gz AKJQNGNTRIQTPW-YESZJQIVSA-N 2 1 367.538 -0.086 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)CC[NH+](C)C ZINC000423628960 485107050 /nfs/dbraw/zinc/10/70/50/485107050.db2.gz BKBOUSYQYMERKF-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423628960 485107046 /nfs/dbraw/zinc/10/70/46/485107046.db2.gz BKBOUSYQYMERKF-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000423633239 485108394 /nfs/dbraw/zinc/10/83/94/485108394.db2.gz KZDHSPRLMRNGOM-GASCZTMLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000423633239 485108389 /nfs/dbraw/zinc/10/83/89/485108389.db2.gz KZDHSPRLMRNGOM-GASCZTMLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)[N@@H+]1CCO ZINC000423633634 485108216 /nfs/dbraw/zinc/10/82/16/485108216.db2.gz LRRADSOISQTQFE-GASCZTMLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)[N@H+]1CCO ZINC000423633634 485108210 /nfs/dbraw/zinc/10/82/10/485108210.db2.gz LRRADSOISQTQFE-GASCZTMLSA-N 2 1 352.479 -0.498 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)CC[NH+](C)C ZINC000423635523 485108355 /nfs/dbraw/zinc/10/83/55/485108355.db2.gz OZAHNVRNXFGWRJ-GOSISDBHSA-N 2 1 353.511 -0.460 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423635523 485108349 /nfs/dbraw/zinc/10/83/49/485108349.db2.gz OZAHNVRNXFGWRJ-GOSISDBHSA-N 2 1 353.511 -0.460 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)CC[NH+](C)C ZINC000423635526 485108562 /nfs/dbraw/zinc/10/85/62/485108562.db2.gz OZAHNVRNXFGWRJ-SFHVURJKSA-N 2 1 353.511 -0.460 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423635526 485108558 /nfs/dbraw/zinc/10/85/58/485108558.db2.gz OZAHNVRNXFGWRJ-SFHVURJKSA-N 2 1 353.511 -0.460 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423639488 485110612 /nfs/dbraw/zinc/11/06/12/485110612.db2.gz VRCZDNUAFNHYMU-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423639489 485110428 /nfs/dbraw/zinc/11/04/28/485110428.db2.gz VRCZDNUAFNHYMU-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423639490 485110164 /nfs/dbraw/zinc/11/01/64/485110164.db2.gz VRCZDNUAFNHYMU-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423639491 485109855 /nfs/dbraw/zinc/10/98/55/485109855.db2.gz VRCZDNUAFNHYMU-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000423644714 485109883 /nfs/dbraw/zinc/10/98/83/485109883.db2.gz YFWBWTVAVRHMQX-ILXRZTDVSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000423644721 485110276 /nfs/dbraw/zinc/11/02/76/485110276.db2.gz YFWBWTVAVRHMQX-KFWWJZLASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000423644729 485110201 /nfs/dbraw/zinc/11/02/01/485110201.db2.gz YFWBWTVAVRHMQX-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000423644734 485110646 /nfs/dbraw/zinc/11/06/46/485110646.db2.gz YFWBWTVAVRHMQX-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649538 485111110 /nfs/dbraw/zinc/11/11/10/485111110.db2.gz POTJPLNUGRPQTL-IXDOHACOSA-N 2 1 365.522 -0.047 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423652101 485111767 /nfs/dbraw/zinc/11/17/67/485111767.db2.gz RYJACGYAOCALQD-CIRFHOKZSA-N 2 1 374.485 -0.147 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423652101 485111763 /nfs/dbraw/zinc/11/17/63/485111763.db2.gz RYJACGYAOCALQD-CIRFHOKZSA-N 2 1 374.485 -0.147 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@@H+]1C ZINC000423655844 485112686 /nfs/dbraw/zinc/11/26/86/485112686.db2.gz CBEHVLROBGNJAY-QLFBSQMISA-N 2 1 367.494 -0.617 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@H+]1C ZINC000423655844 485112683 /nfs/dbraw/zinc/11/26/83/485112683.db2.gz CBEHVLROBGNJAY-QLFBSQMISA-N 2 1 367.494 -0.617 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@@H+]1C ZINC000423655846 485113069 /nfs/dbraw/zinc/11/30/69/485113069.db2.gz CBEHVLROBGNJAY-ZNMIVQPWSA-N 2 1 367.494 -0.617 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@H+]1C ZINC000423655846 485113065 /nfs/dbraw/zinc/11/30/65/485113065.db2.gz CBEHVLROBGNJAY-ZNMIVQPWSA-N 2 1 367.494 -0.617 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423657971 485113017 /nfs/dbraw/zinc/11/30/17/485113017.db2.gz DVGZWPLAXSIOFA-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423657972 485112723 /nfs/dbraw/zinc/11/27/23/485112723.db2.gz DVGZWPLAXSIOFA-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423658007 485112511 /nfs/dbraw/zinc/11/25/11/485112511.db2.gz DYYHACSVXXFMLX-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423658008 485112931 /nfs/dbraw/zinc/11/29/31/485112931.db2.gz DYYHACSVXXFMLX-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423658010 485113361 /nfs/dbraw/zinc/11/33/61/485113361.db2.gz DYYHACSVXXFMLX-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423658011 485113030 /nfs/dbraw/zinc/11/30/30/485113030.db2.gz DYYHACSVXXFMLX-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423658883 485114026 /nfs/dbraw/zinc/11/40/26/485114026.db2.gz DOZMDBOLCMXILC-HNNXBMFYSA-N 2 1 367.494 -0.615 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423658884 485114126 /nfs/dbraw/zinc/11/41/26/485114126.db2.gz DOZMDBOLCMXILC-OAHLLOKOSA-N 2 1 367.494 -0.615 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000423666697 485115333 /nfs/dbraw/zinc/11/53/33/485115333.db2.gz SNLZIUKKHWKNIZ-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423666698 485115200 /nfs/dbraw/zinc/11/52/00/485115200.db2.gz SNLZIUKKHWKNIZ-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423666701 485114900 /nfs/dbraw/zinc/11/49/00/485114900.db2.gz IMJBGQCUKMYYMT-BZUAXINKSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423666701 485114897 /nfs/dbraw/zinc/11/48/97/485114897.db2.gz IMJBGQCUKMYYMT-BZUAXINKSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423666702 485115140 /nfs/dbraw/zinc/11/51/40/485115140.db2.gz IMJBGQCUKMYYMT-OAGGEKHMSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423666702 485115136 /nfs/dbraw/zinc/11/51/36/485115136.db2.gz IMJBGQCUKMYYMT-OAGGEKHMSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423666703 485114842 /nfs/dbraw/zinc/11/48/42/485114842.db2.gz IMJBGQCUKMYYMT-OWCLPIDISA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423666703 485114837 /nfs/dbraw/zinc/11/48/37/485114837.db2.gz IMJBGQCUKMYYMT-OWCLPIDISA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423666704 485115255 /nfs/dbraw/zinc/11/52/55/485115255.db2.gz IMJBGQCUKMYYMT-PMPSAXMXSA-N 2 1 370.494 -0.480 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423666704 485115254 /nfs/dbraw/zinc/11/52/54/485115254.db2.gz IMJBGQCUKMYYMT-PMPSAXMXSA-N 2 1 370.494 -0.480 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423667640 485116120 /nfs/dbraw/zinc/11/61/20/485116120.db2.gz KNXJEDXRRGNLLS-HNNXBMFYSA-N 2 1 367.494 -0.615 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423667641 485116478 /nfs/dbraw/zinc/11/64/78/485116478.db2.gz KNXJEDXRRGNLLS-OAHLLOKOSA-N 2 1 367.494 -0.615 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423668718 485116056 /nfs/dbraw/zinc/11/60/56/485116056.db2.gz WQGFXQGXUPCUCQ-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423668718 485116053 /nfs/dbraw/zinc/11/60/53/485116053.db2.gz WQGFXQGXUPCUCQ-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423668719 485115860 /nfs/dbraw/zinc/11/58/60/485115860.db2.gz WQGFXQGXUPCUCQ-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423668719 485115855 /nfs/dbraw/zinc/11/58/55/485115855.db2.gz WQGFXQGXUPCUCQ-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423668720 485116383 /nfs/dbraw/zinc/11/63/83/485116383.db2.gz WQGFXQGXUPCUCQ-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423668720 485116379 /nfs/dbraw/zinc/11/63/79/485116379.db2.gz WQGFXQGXUPCUCQ-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423668721 485116012 /nfs/dbraw/zinc/11/60/12/485116012.db2.gz WQGFXQGXUPCUCQ-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423668721 485116007 /nfs/dbraw/zinc/11/60/07/485116007.db2.gz WQGFXQGXUPCUCQ-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000423671109 485115890 /nfs/dbraw/zinc/11/58/90/485115890.db2.gz VRQFEPSCZWPOSS-IYBDPMFKSA-N 2 1 362.474 -0.113 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000423671109 485115886 /nfs/dbraw/zinc/11/58/86/485115886.db2.gz VRQFEPSCZWPOSS-IYBDPMFKSA-N 2 1 362.474 -0.113 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423678413 485118316 /nfs/dbraw/zinc/11/83/16/485118316.db2.gz IQRDKRNZCVFCLC-UHFFFAOYSA-N 2 1 362.474 -0.111 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)CC[NH+](C)C ZINC000423684151 485118258 /nfs/dbraw/zinc/11/82/58/485118258.db2.gz QXJQEOJXYFRPQR-INIZCTEOSA-N 2 1 355.527 -0.084 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423684151 485118255 /nfs/dbraw/zinc/11/82/55/485118255.db2.gz QXJQEOJXYFRPQR-INIZCTEOSA-N 2 1 355.527 -0.084 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)CC[NH+](C)C ZINC000423684154 485118347 /nfs/dbraw/zinc/11/83/47/485118347.db2.gz QXJQEOJXYFRPQR-MRXNPFEDSA-N 2 1 355.527 -0.084 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423684154 485118342 /nfs/dbraw/zinc/11/83/42/485118342.db2.gz QXJQEOJXYFRPQR-MRXNPFEDSA-N 2 1 355.527 -0.084 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000423686931 485119274 /nfs/dbraw/zinc/11/92/74/485119274.db2.gz ZRSRXMCWDWUOKZ-FPCVCCKLSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000423686931 485119269 /nfs/dbraw/zinc/11/92/69/485119269.db2.gz ZRSRXMCWDWUOKZ-FPCVCCKLSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000423686934 485119676 /nfs/dbraw/zinc/11/96/76/485119676.db2.gz ZRSRXMCWDWUOKZ-FZKCQIBNSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000423686934 485119670 /nfs/dbraw/zinc/11/96/70/485119670.db2.gz ZRSRXMCWDWUOKZ-FZKCQIBNSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000423686936 485119691 /nfs/dbraw/zinc/11/96/91/485119691.db2.gz ZRSRXMCWDWUOKZ-JJXSEGSLSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000423686936 485119688 /nfs/dbraw/zinc/11/96/88/485119688.db2.gz ZRSRXMCWDWUOKZ-JJXSEGSLSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000423686938 485119350 /nfs/dbraw/zinc/11/93/50/485119350.db2.gz ZRSRXMCWDWUOKZ-WCVJEAGWSA-N 2 1 370.494 -0.745 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000423686938 485119346 /nfs/dbraw/zinc/11/93/46/485119346.db2.gz ZRSRXMCWDWUOKZ-WCVJEAGWSA-N 2 1 370.494 -0.745 20 0 FBADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423689198 485119623 /nfs/dbraw/zinc/11/96/23/485119623.db2.gz CDICXSXHNIXDJO-HNNXBMFYSA-N 2 1 352.435 -0.254 20 0 FBADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423689199 485119381 /nfs/dbraw/zinc/11/93/81/485119381.db2.gz CDICXSXHNIXDJO-OAHLLOKOSA-N 2 1 352.435 -0.254 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423698659 485121014 /nfs/dbraw/zinc/12/10/14/485121014.db2.gz OASLARPQTOCYNC-DLBZAZTESA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423698659 485121011 /nfs/dbraw/zinc/12/10/11/485121011.db2.gz OASLARPQTOCYNC-DLBZAZTESA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423698660 485120705 /nfs/dbraw/zinc/12/07/05/485120705.db2.gz OASLARPQTOCYNC-IAGOWNOFSA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423698660 485120702 /nfs/dbraw/zinc/12/07/02/485120702.db2.gz OASLARPQTOCYNC-IAGOWNOFSA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423698661 485120929 /nfs/dbraw/zinc/12/09/29/485120929.db2.gz OASLARPQTOCYNC-IRXDYDNUSA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423698661 485120928 /nfs/dbraw/zinc/12/09/28/485120928.db2.gz OASLARPQTOCYNC-IRXDYDNUSA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423698663 485120403 /nfs/dbraw/zinc/12/04/03/485120403.db2.gz OASLARPQTOCYNC-SJORKVTESA-N 2 1 360.458 -0.442 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423698663 485120398 /nfs/dbraw/zinc/12/03/98/485120398.db2.gz OASLARPQTOCYNC-SJORKVTESA-N 2 1 360.458 -0.442 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423698881 485120902 /nfs/dbraw/zinc/12/09/02/485120902.db2.gz PZICGAMAWYNCDZ-CABCVRRESA-N 2 1 367.494 -0.663 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423698882 485121180 /nfs/dbraw/zinc/12/11/80/485121180.db2.gz PZICGAMAWYNCDZ-GJZGRUSLSA-N 2 1 367.494 -0.663 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423698883 485121119 /nfs/dbraw/zinc/12/11/19/485121119.db2.gz PZICGAMAWYNCDZ-HUUCEWRRSA-N 2 1 367.494 -0.663 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423698884 485120800 /nfs/dbraw/zinc/12/08/00/485120800.db2.gz PZICGAMAWYNCDZ-LSDHHAIUSA-N 2 1 367.494 -0.663 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)CC[NH+](C)C ZINC000423700577 485120428 /nfs/dbraw/zinc/12/04/28/485120428.db2.gz UIQQKVDRESZLIN-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423700577 485120423 /nfs/dbraw/zinc/12/04/23/485120423.db2.gz UIQQKVDRESZLIN-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000423703673 485120849 /nfs/dbraw/zinc/12/08/49/485120849.db2.gz CMAVCCNSEMJVFN-CVEARBPZSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423703673 485120840 /nfs/dbraw/zinc/12/08/40/485120840.db2.gz CMAVCCNSEMJVFN-CVEARBPZSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000423703675 485120948 /nfs/dbraw/zinc/12/09/48/485120948.db2.gz CMAVCCNSEMJVFN-HOTGVXAUSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423703675 485120945 /nfs/dbraw/zinc/12/09/45/485120945.db2.gz CMAVCCNSEMJVFN-HOTGVXAUSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000423703676 485121036 /nfs/dbraw/zinc/12/10/36/485121036.db2.gz CMAVCCNSEMJVFN-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423703676 485121035 /nfs/dbraw/zinc/12/10/35/485121035.db2.gz CMAVCCNSEMJVFN-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000423703677 485121128 /nfs/dbraw/zinc/12/11/28/485121128.db2.gz CMAVCCNSEMJVFN-JKSUJKDBSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423703677 485121124 /nfs/dbraw/zinc/12/11/24/485121124.db2.gz CMAVCCNSEMJVFN-JKSUJKDBSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423704689 485122447 /nfs/dbraw/zinc/12/24/47/485122447.db2.gz MWXLBBYKMRJBQB-BEFAXECRSA-N 2 1 362.474 -0.113 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423704691 485122169 /nfs/dbraw/zinc/12/21/69/485122169.db2.gz MWXLBBYKMRJBQB-DNVCBOLYSA-N 2 1 362.474 -0.113 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423704692 485122114 /nfs/dbraw/zinc/12/21/14/485122114.db2.gz MWXLBBYKMRJBQB-HNAYVOBHSA-N 2 1 362.474 -0.113 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423704694 485122152 /nfs/dbraw/zinc/12/21/52/485122152.db2.gz MWXLBBYKMRJBQB-KXBFYZLASA-N 2 1 362.474 -0.113 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423705136 485122231 /nfs/dbraw/zinc/12/22/31/485122231.db2.gz GRZMCJZJVRQLKA-MSOLQXFVSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423705136 485122227 /nfs/dbraw/zinc/12/22/27/485122227.db2.gz GRZMCJZJVRQLKA-MSOLQXFVSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423705137 485122548 /nfs/dbraw/zinc/12/25/48/485122548.db2.gz GRZMCJZJVRQLKA-QZTJIDSGSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423705137 485122542 /nfs/dbraw/zinc/12/25/42/485122542.db2.gz GRZMCJZJVRQLKA-QZTJIDSGSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423705138 485121809 /nfs/dbraw/zinc/12/18/09/485121809.db2.gz GRZMCJZJVRQLKA-ROUUACIJSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423705138 485121805 /nfs/dbraw/zinc/12/18/05/485121805.db2.gz GRZMCJZJVRQLKA-ROUUACIJSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423705140 485122012 /nfs/dbraw/zinc/12/20/12/485122012.db2.gz GRZMCJZJVRQLKA-ZWKOTPCHSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423705140 485122007 /nfs/dbraw/zinc/12/20/07/485122007.db2.gz GRZMCJZJVRQLKA-ZWKOTPCHSA-N 2 1 374.485 -0.052 20 0 FBADMP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423711374 485122346 /nfs/dbraw/zinc/12/23/46/485122346.db2.gz ZGSUEOWGRPNFCM-GASCZTMLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423711374 485122343 /nfs/dbraw/zinc/12/23/43/485122343.db2.gz ZGSUEOWGRPNFCM-GASCZTMLSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423711435 485122430 /nfs/dbraw/zinc/12/24/30/485122430.db2.gz RQERIRXOGVYTDR-GOSISDBHSA-N 2 1 373.501 -0.178 20 0 FBADMP CN(CC[NH3+])C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423711437 485122090 /nfs/dbraw/zinc/12/20/90/485122090.db2.gz RQERIRXOGVYTDR-SFHVURJKSA-N 2 1 373.501 -0.178 20 0 FBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000423711833 485122031 /nfs/dbraw/zinc/12/20/31/485122031.db2.gz RYMIBWWAOIAGSN-GASCZTMLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000423711833 485122025 /nfs/dbraw/zinc/12/20/25/485122025.db2.gz RYMIBWWAOIAGSN-GASCZTMLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423714297 485123767 /nfs/dbraw/zinc/12/37/67/485123767.db2.gz RORVCOXDKNBFOC-IKGGRYGDSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423714298 485123152 /nfs/dbraw/zinc/12/31/52/485123152.db2.gz RORVCOXDKNBFOC-ZACQAIPSSA-N 2 1 363.506 -0.565 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423715459 485123671 /nfs/dbraw/zinc/12/36/71/485123671.db2.gz HMXVKJQITGUMTL-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423715461 485123419 /nfs/dbraw/zinc/12/34/19/485123419.db2.gz HMXVKJQITGUMTL-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423715463 485123197 /nfs/dbraw/zinc/12/31/97/485123197.db2.gz HMXVKJQITGUMTL-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423715465 485123227 /nfs/dbraw/zinc/12/32/27/485123227.db2.gz HMXVKJQITGUMTL-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423717125 485123256 /nfs/dbraw/zinc/12/32/56/485123256.db2.gz JRKXXZYDJMUMRX-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423717126 485123630 /nfs/dbraw/zinc/12/36/30/485123630.db2.gz JRKXXZYDJMUMRX-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423720524 485125038 /nfs/dbraw/zinc/12/50/38/485125038.db2.gz NYHUCCOGAVGLNG-GFCCVEGCSA-N 2 1 368.400 -0.095 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423720535 485124855 /nfs/dbraw/zinc/12/48/55/485124855.db2.gz NYHUCCOGAVGLNG-LBPRGKRZSA-N 2 1 368.400 -0.095 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000423724469 485125973 /nfs/dbraw/zinc/12/59/73/485125973.db2.gz HGYKQXMCGICUFT-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000423724469 485125968 /nfs/dbraw/zinc/12/59/68/485125968.db2.gz HGYKQXMCGICUFT-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)[C@H]1C[NH3+] ZINC000423724471 485125615 /nfs/dbraw/zinc/12/56/15/485125615.db2.gz HGYKQXMCGICUFT-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)[C@H]1C[NH3+] ZINC000423724471 485125610 /nfs/dbraw/zinc/12/56/10/485125610.db2.gz HGYKQXMCGICUFT-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000423724958 485126099 /nfs/dbraw/zinc/12/60/99/485126099.db2.gz HGYKQXMCGICUFT-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000423724958 485126095 /nfs/dbraw/zinc/12/60/95/485126095.db2.gz HGYKQXMCGICUFT-QLFBSQMISA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)[C@@H]1C[NH3+] ZINC000423724962 485125924 /nfs/dbraw/zinc/12/59/24/485125924.db2.gz HGYKQXMCGICUFT-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)[C@@H]1C[NH3+] ZINC000423724962 485125921 /nfs/dbraw/zinc/12/59/21/485125921.db2.gz HGYKQXMCGICUFT-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423726541 485126246 /nfs/dbraw/zinc/12/62/46/485126246.db2.gz KCSXWZODHRCAEW-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[NH3+] ZINC000423727404 485125693 /nfs/dbraw/zinc/12/56/93/485125693.db2.gz IWKFFPOFGMVATG-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H]1C[NH3+] ZINC000423727404 485125690 /nfs/dbraw/zinc/12/56/90/485125690.db2.gz IWKFFPOFGMVATG-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[NH3+] ZINC000423727405 485125708 /nfs/dbraw/zinc/12/57/08/485125708.db2.gz IWKFFPOFGMVATG-HOTGVXAUSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H]1C[NH3+] ZINC000423727405 485125704 /nfs/dbraw/zinc/12/57/04/485125704.db2.gz IWKFFPOFGMVATG-HOTGVXAUSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000423727406 485125818 /nfs/dbraw/zinc/12/58/18/485125818.db2.gz IWKFFPOFGMVATG-HZPDHXFCSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423727406 485125814 /nfs/dbraw/zinc/12/58/14/485125814.db2.gz IWKFFPOFGMVATG-HZPDHXFCSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000423727407 485125835 /nfs/dbraw/zinc/12/58/35/485125835.db2.gz IWKFFPOFGMVATG-JKSUJKDBSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423727407 485125833 /nfs/dbraw/zinc/12/58/33/485125833.db2.gz IWKFFPOFGMVATG-JKSUJKDBSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730467 485127039 /nfs/dbraw/zinc/12/70/39/485127039.db2.gz YCKPCVSKGKCLIH-OWCLPIDISA-N 2 1 353.511 -0.191 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730468 485127322 /nfs/dbraw/zinc/12/73/22/485127322.db2.gz YCKPCVSKGKCLIH-XHSDSOJGSA-N 2 1 353.511 -0.191 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)CC[NH+](C)C ZINC000423730890 660458208 /nfs/dbraw/zinc/45/82/08/660458208.db2.gz NSFGBXACCQGZEV-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423730890 660458206 /nfs/dbraw/zinc/45/82/06/660458206.db2.gz NSFGBXACCQGZEV-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)CC[NH+](C)C ZINC000423730892 660458221 /nfs/dbraw/zinc/45/82/21/660458221.db2.gz NSFGBXACCQGZEV-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423730892 660458220 /nfs/dbraw/zinc/45/82/20/660458220.db2.gz NSFGBXACCQGZEV-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1CCOC ZINC000423731414 485126821 /nfs/dbraw/zinc/12/68/21/485126821.db2.gz NXVAYTBXQKTHAK-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1CCOC ZINC000423731414 485126814 /nfs/dbraw/zinc/12/68/14/485126814.db2.gz NXVAYTBXQKTHAK-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1CCOC ZINC000423731415 485126873 /nfs/dbraw/zinc/12/68/73/485126873.db2.gz NXVAYTBXQKTHAK-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1CCOC ZINC000423731415 485126867 /nfs/dbraw/zinc/12/68/67/485126867.db2.gz NXVAYTBXQKTHAK-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H]1C[NH3+] ZINC000423733429 485127307 /nfs/dbraw/zinc/12/73/07/485127307.db2.gz NNQOFIKBPJOBKQ-CABCVRRESA-N 2 1 367.494 -0.805 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H]1C[NH3+] ZINC000423733430 485127145 /nfs/dbraw/zinc/12/71/45/485127145.db2.gz NNQOFIKBPJOBKQ-GJZGRUSLSA-N 2 1 367.494 -0.805 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H]1C[NH3+] ZINC000423733431 485127110 /nfs/dbraw/zinc/12/71/10/485127110.db2.gz NNQOFIKBPJOBKQ-HUUCEWRRSA-N 2 1 367.494 -0.805 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H]1C[NH3+] ZINC000423733433 485127088 /nfs/dbraw/zinc/12/70/88/485127088.db2.gz NNQOFIKBPJOBKQ-LSDHHAIUSA-N 2 1 367.494 -0.805 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423737674 485128399 /nfs/dbraw/zinc/12/83/99/485128399.db2.gz FJPLKBAMQRUGFG-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423737677 485128501 /nfs/dbraw/zinc/12/85/01/485128501.db2.gz FJPLKBAMQRUGFG-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423737678 485127967 /nfs/dbraw/zinc/12/79/67/485127967.db2.gz FJPLKBAMQRUGFG-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423737679 485128606 /nfs/dbraw/zinc/12/86/06/485128606.db2.gz FJPLKBAMQRUGFG-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423740677 485128807 /nfs/dbraw/zinc/12/88/07/485128807.db2.gz JEIKTQKMKXUIHA-RDJZCZTQSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423740680 485128183 /nfs/dbraw/zinc/12/81/83/485128183.db2.gz JEIKTQKMKXUIHA-WBVHZDCISA-N 2 1 353.511 -0.286 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CC[NH+](C)C ZINC000423740988 485127997 /nfs/dbraw/zinc/12/79/97/485127997.db2.gz XPONCDKKFDJOKK-CVEARBPZSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423740988 485127991 /nfs/dbraw/zinc/12/79/91/485127991.db2.gz XPONCDKKFDJOKK-CVEARBPZSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)CC[NH+](C)C ZINC000423740991 485128915 /nfs/dbraw/zinc/12/89/15/485128915.db2.gz XPONCDKKFDJOKK-HOTGVXAUSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423740991 485128913 /nfs/dbraw/zinc/12/89/13/485128913.db2.gz XPONCDKKFDJOKK-HOTGVXAUSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)CC[NH+](C)C ZINC000423740994 485128068 /nfs/dbraw/zinc/12/80/68/485128068.db2.gz XPONCDKKFDJOKK-HZPDHXFCSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423740994 485128064 /nfs/dbraw/zinc/12/80/64/485128064.db2.gz XPONCDKKFDJOKK-HZPDHXFCSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CC[NH+](C)C ZINC000423740997 485128672 /nfs/dbraw/zinc/12/86/72/485128672.db2.gz XPONCDKKFDJOKK-JKSUJKDBSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423740997 485128668 /nfs/dbraw/zinc/12/86/68/485128668.db2.gz XPONCDKKFDJOKK-JKSUJKDBSA-N 2 1 353.511 -0.604 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000423743346 485127845 /nfs/dbraw/zinc/12/78/45/485127845.db2.gz LQGQYZDWRQCMSL-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000423743347 485128710 /nfs/dbraw/zinc/12/87/10/485128710.db2.gz LQGQYZDWRQCMSL-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000423746225 485128374 /nfs/dbraw/zinc/12/83/74/485128374.db2.gz XTTQDJKDHAUWSZ-BZUAXINKSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000423746227 485128331 /nfs/dbraw/zinc/12/83/31/485128331.db2.gz XTTQDJKDHAUWSZ-OAGGEKHMSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000423746229 485128575 /nfs/dbraw/zinc/12/85/75/485128575.db2.gz XTTQDJKDHAUWSZ-OWCLPIDISA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000423746231 485128446 /nfs/dbraw/zinc/12/84/46/485128446.db2.gz XTTQDJKDHAUWSZ-PMPSAXMXSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423747500 485128490 /nfs/dbraw/zinc/12/84/90/485128490.db2.gz YZUYATNMGDGAPM-GDBMZVCRSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423747502 485128350 /nfs/dbraw/zinc/12/83/50/485128350.db2.gz YZUYATNMGDGAPM-GOEBONIOSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423747504 485128551 /nfs/dbraw/zinc/12/85/51/485128551.db2.gz YZUYATNMGDGAPM-HOCLYGCPSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423747506 485128510 /nfs/dbraw/zinc/12/85/10/485128510.db2.gz YZUYATNMGDGAPM-ZBFHGGJFSA-N 2 1 352.479 -0.105 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423778429 485129918 /nfs/dbraw/zinc/12/99/18/485129918.db2.gz CZUXCRNIFIUEPB-KBPBESRZSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423778430 485130046 /nfs/dbraw/zinc/13/00/46/485130046.db2.gz CZUXCRNIFIUEPB-KGLIPLIRSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423778431 485129978 /nfs/dbraw/zinc/12/99/78/485129978.db2.gz CZUXCRNIFIUEPB-UONOGXRCSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423778432 485129934 /nfs/dbraw/zinc/12/99/34/485129934.db2.gz CZUXCRNIFIUEPB-ZIAGYGMSSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423862766 485130753 /nfs/dbraw/zinc/13/07/53/485130753.db2.gz UEIPKAMMCODXKJ-KBPBESRZSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423862766 485130751 /nfs/dbraw/zinc/13/07/51/485130751.db2.gz UEIPKAMMCODXKJ-KBPBESRZSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423862767 485131299 /nfs/dbraw/zinc/13/12/99/485131299.db2.gz UEIPKAMMCODXKJ-KGLIPLIRSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423862767 485131295 /nfs/dbraw/zinc/13/12/95/485131295.db2.gz UEIPKAMMCODXKJ-KGLIPLIRSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423862768 485130991 /nfs/dbraw/zinc/13/09/91/485130991.db2.gz UEIPKAMMCODXKJ-UONOGXRCSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423862768 485130986 /nfs/dbraw/zinc/13/09/86/485130986.db2.gz UEIPKAMMCODXKJ-UONOGXRCSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423862769 485130698 /nfs/dbraw/zinc/13/06/98/485130698.db2.gz UEIPKAMMCODXKJ-ZIAGYGMSSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423862769 485130695 /nfs/dbraw/zinc/13/06/95/485130695.db2.gz UEIPKAMMCODXKJ-ZIAGYGMSSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423895827 485130636 /nfs/dbraw/zinc/13/06/36/485130636.db2.gz NLPLWJMMDZOERA-KBPBESRZSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423895827 485130631 /nfs/dbraw/zinc/13/06/31/485130631.db2.gz NLPLWJMMDZOERA-KBPBESRZSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423895829 485131266 /nfs/dbraw/zinc/13/12/66/485131266.db2.gz NLPLWJMMDZOERA-KGLIPLIRSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423895829 485131261 /nfs/dbraw/zinc/13/12/61/485131261.db2.gz NLPLWJMMDZOERA-KGLIPLIRSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423895831 485130952 /nfs/dbraw/zinc/13/09/52/485130952.db2.gz NLPLWJMMDZOERA-UONOGXRCSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423895831 485130950 /nfs/dbraw/zinc/13/09/50/485130950.db2.gz NLPLWJMMDZOERA-UONOGXRCSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423895833 485130774 /nfs/dbraw/zinc/13/07/74/485130774.db2.gz NLPLWJMMDZOERA-ZIAGYGMSSA-N 2 1 354.451 -0.660 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423895833 485130770 /nfs/dbraw/zinc/13/07/70/485130770.db2.gz NLPLWJMMDZOERA-ZIAGYGMSSA-N 2 1 354.451 -0.660 20 0 FBADMP COCC[NH2+]CC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423924874 485131107 /nfs/dbraw/zinc/13/11/07/485131107.db2.gz MRGPRVYGIAXGTH-STQMWFEESA-N 2 1 354.430 -0.188 20 0 FBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928011 485130763 /nfs/dbraw/zinc/13/07/63/485130763.db2.gz RJVNPWCFZLOQEC-AVGNSLFASA-N 2 1 354.430 -0.061 20 0 FBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928012 485131065 /nfs/dbraw/zinc/13/10/65/485131065.db2.gz RJVNPWCFZLOQEC-RWMBFGLXSA-N 2 1 354.430 -0.061 20 0 FBADMP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423929767 485131384 /nfs/dbraw/zinc/13/13/84/485131384.db2.gz UYTUWPLFLNLXCM-AVGNSLFASA-N 2 1 354.430 -0.109 20 0 FBADMP CO[C@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423929768 485130827 /nfs/dbraw/zinc/13/08/27/485130827.db2.gz UYTUWPLFLNLXCM-RWMBFGLXSA-N 2 1 354.430 -0.109 20 0 FBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)COC2C[NH2+]C2)cc[nH+]1 ZINC000423931046 485131025 /nfs/dbraw/zinc/13/10/25/485131025.db2.gz XHOVLTJGWIUKRA-RYUDHWBXSA-N 2 1 352.414 -0.436 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423966310 485131286 /nfs/dbraw/zinc/13/12/86/485131286.db2.gz YVZVVGPNXVHGDB-CVEARBPZSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423966311 485131216 /nfs/dbraw/zinc/13/12/16/485131216.db2.gz YVZVVGPNXVHGDB-HOTGVXAUSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423966313 485130966 /nfs/dbraw/zinc/13/09/66/485130966.db2.gz YVZVVGPNXVHGDB-HZPDHXFCSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423966315 485131079 /nfs/dbraw/zinc/13/10/79/485131079.db2.gz YVZVVGPNXVHGDB-JKSUJKDBSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O ZINC000424006718 485131777 /nfs/dbraw/zinc/13/17/77/485131777.db2.gz BNUHAFYCOWWVIV-ARFHVFGLSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O ZINC000424006722 485131770 /nfs/dbraw/zinc/13/17/70/485131770.db2.gz BNUHAFYCOWWVIV-BZUAXINKSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O ZINC000424006725 485131925 /nfs/dbraw/zinc/13/19/25/485131925.db2.gz BNUHAFYCOWWVIV-OAGGEKHMSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O ZINC000424006728 485131859 /nfs/dbraw/zinc/13/18/59/485131859.db2.gz BNUHAFYCOWWVIV-XHSDSOJGSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000424036414 485132952 /nfs/dbraw/zinc/13/29/52/485132952.db2.gz FBHCNLRQAIUQMY-GFCCVEGCSA-N 2 1 352.460 -0.234 20 0 FBADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000424036415 485133965 /nfs/dbraw/zinc/13/39/65/485133965.db2.gz FBHCNLRQAIUQMY-LBPRGKRZSA-N 2 1 352.460 -0.234 20 0 FBADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040042 485133309 /nfs/dbraw/zinc/13/33/09/485133309.db2.gz KWCPIJQBAFXLIL-HNNXBMFYSA-N 2 1 358.508 -0.270 20 0 FBADMP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040043 485133836 /nfs/dbraw/zinc/13/38/36/485133836.db2.gz KWCPIJQBAFXLIL-OAHLLOKOSA-N 2 1 358.508 -0.270 20 0 FBADMP O=C(C1CC[NH+](C2CC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424043581 485133075 /nfs/dbraw/zinc/13/30/75/485133075.db2.gz QYYFUTHOXDCDND-UHFFFAOYSA-N 2 1 356.492 -0.693 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046886 485135357 /nfs/dbraw/zinc/13/53/57/485135357.db2.gz RYRMAWBQMOEELF-FXUDXRNXSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046889 485134752 /nfs/dbraw/zinc/13/47/52/485134752.db2.gz RYRMAWBQMOEELF-LVQVYYBASA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046890 485134857 /nfs/dbraw/zinc/13/48/57/485134857.db2.gz RYRMAWBQMOEELF-XUWVNRHRSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046892 485134373 /nfs/dbraw/zinc/13/43/73/485134373.db2.gz RYRMAWBQMOEELF-YHUYYLMFSA-N 2 1 350.463 -0.482 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424137289 485151566 /nfs/dbraw/zinc/15/15/66/485151566.db2.gz BWKPKTOOWRZHAW-AWEZNQCLSA-N 2 1 363.466 -0.561 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424137297 485152082 /nfs/dbraw/zinc/15/20/82/485152082.db2.gz BWKPKTOOWRZHAW-CQSZACIVSA-N 2 1 363.466 -0.561 20 0 FBADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000424139755 485151415 /nfs/dbraw/zinc/15/14/15/485151415.db2.gz DYENCCKHXGIOAD-KBPBESRZSA-N 2 1 361.450 -0.761 20 0 FBADMP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000424139757 485152066 /nfs/dbraw/zinc/15/20/66/485152066.db2.gz DYENCCKHXGIOAD-KGLIPLIRSA-N 2 1 361.450 -0.761 20 0 FBADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000424139758 485152207 /nfs/dbraw/zinc/15/22/07/485152207.db2.gz DYENCCKHXGIOAD-UONOGXRCSA-N 2 1 361.450 -0.761 20 0 FBADMP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000424139760 485151361 /nfs/dbraw/zinc/15/13/61/485151361.db2.gz DYENCCKHXGIOAD-ZIAGYGMSSA-N 2 1 361.450 -0.761 20 0 FBADMP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000424159235 485157344 /nfs/dbraw/zinc/15/73/44/485157344.db2.gz VGDAGVOLWUEIRJ-KBPBESRZSA-N 2 1 360.462 -0.087 20 0 FBADMP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000424159238 485157753 /nfs/dbraw/zinc/15/77/53/485157753.db2.gz VGDAGVOLWUEIRJ-KGLIPLIRSA-N 2 1 360.462 -0.087 20 0 FBADMP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000424159240 485157276 /nfs/dbraw/zinc/15/72/76/485157276.db2.gz VGDAGVOLWUEIRJ-UONOGXRCSA-N 2 1 360.462 -0.087 20 0 FBADMP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000424159243 485157517 /nfs/dbraw/zinc/15/75/17/485157517.db2.gz VGDAGVOLWUEIRJ-ZIAGYGMSSA-N 2 1 360.462 -0.087 20 0 FBADMP Cn1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161794 485159046 /nfs/dbraw/zinc/15/90/46/485159046.db2.gz WCSRWSWQAIEQGZ-DZGCQCFKSA-N 2 1 362.478 -0.043 20 0 FBADMP Cn1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424161797 485160212 /nfs/dbraw/zinc/16/02/12/485160212.db2.gz WCSRWSWQAIEQGZ-HIFRSBDPSA-N 2 1 362.478 -0.043 20 0 FBADMP Cn1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424161799 485160362 /nfs/dbraw/zinc/16/03/62/485160362.db2.gz WCSRWSWQAIEQGZ-UKRRQHHQSA-N 2 1 362.478 -0.043 20 0 FBADMP Cn1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161802 485160405 /nfs/dbraw/zinc/16/04/05/485160405.db2.gz WCSRWSWQAIEQGZ-ZFWWWQNUSA-N 2 1 362.478 -0.043 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162364 485160459 /nfs/dbraw/zinc/16/04/59/485160459.db2.gz WSBXWLAEEACYGX-KBPBESRZSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162367 485160103 /nfs/dbraw/zinc/16/01/03/485160103.db2.gz WSBXWLAEEACYGX-KGLIPLIRSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162371 485160548 /nfs/dbraw/zinc/16/05/48/485160548.db2.gz WSBXWLAEEACYGX-UONOGXRCSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162375 485160785 /nfs/dbraw/zinc/16/07/85/485160785.db2.gz WSBXWLAEEACYGX-ZIAGYGMSSA-N 2 1 363.466 -0.480 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287157 485175723 /nfs/dbraw/zinc/17/57/23/485175723.db2.gz IRUVRYNQKKFDKF-AWEZNQCLSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287160 485175079 /nfs/dbraw/zinc/17/50/79/485175079.db2.gz IRUVRYNQKKFDKF-CQSZACIVSA-N 2 1 360.524 -0.152 20 0 FBADMP Cn1cc([C@@H]2CN(Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@H]2[NH3+])cn1 ZINC000424369799 485186308 /nfs/dbraw/zinc/18/63/08/485186308.db2.gz BPGUBORJBGATMT-DLBZAZTESA-N 2 1 356.478 -0.111 20 0 FBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000424438918 485190406 /nfs/dbraw/zinc/19/04/06/485190406.db2.gz MHPMLVKJRVJNLH-UHFFFAOYSA-N 2 1 361.446 -0.327 20 0 FBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000424455886 485192388 /nfs/dbraw/zinc/19/23/88/485192388.db2.gz OMRMFMADPAJSNO-GOSISDBHSA-N 2 1 364.446 -0.408 20 0 FBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000424455890 485192575 /nfs/dbraw/zinc/19/25/75/485192575.db2.gz OMRMFMADPAJSNO-SFHVURJKSA-N 2 1 364.446 -0.408 20 0 FBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424460848 485191686 /nfs/dbraw/zinc/19/16/86/485191686.db2.gz YXDQUIUKTPXVGD-HNNXBMFYSA-N 2 1 361.446 -0.152 20 0 FBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000424460849 485191505 /nfs/dbraw/zinc/19/15/05/485191505.db2.gz YXDQUIUKTPXVGD-OAHLLOKOSA-N 2 1 361.446 -0.152 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424486803 485198272 /nfs/dbraw/zinc/19/82/72/485198272.db2.gz ABDUNBFTRNRSOM-IXDOHACOSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424486805 485198048 /nfs/dbraw/zinc/19/80/48/485198048.db2.gz ABDUNBFTRNRSOM-YESZJQIVSA-N 2 1 374.489 -0.194 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424486962 485197997 /nfs/dbraw/zinc/19/79/97/485197997.db2.gz AJNOLWSHGJRYQH-LSDHHAIUSA-N 2 1 350.467 -0.479 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000424490771 485200141 /nfs/dbraw/zinc/20/01/41/485200141.db2.gz AOJSMGNCXFYYJY-AWEZNQCLSA-N 2 1 356.467 -0.868 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000424490772 485200780 /nfs/dbraw/zinc/20/07/80/485200780.db2.gz AOJSMGNCXFYYJY-CQSZACIVSA-N 2 1 356.467 -0.868 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490923 485200525 /nfs/dbraw/zinc/20/05/25/485200525.db2.gz BBOUMNWGDLDALI-CWRNSKLLSA-N 2 1 362.478 -0.384 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490925 485200130 /nfs/dbraw/zinc/20/01/30/485200130.db2.gz BBOUMNWGDLDALI-VNQPRFMTSA-N 2 1 362.478 -0.384 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000424491673 485201435 /nfs/dbraw/zinc/20/14/35/485201435.db2.gz FEELZWFPPACNGA-CABCVRRESA-N 2 1 370.494 -0.480 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000424491674 485201946 /nfs/dbraw/zinc/20/19/46/485201946.db2.gz FEELZWFPPACNGA-GJZGRUSLSA-N 2 1 370.494 -0.480 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000424491676 485201735 /nfs/dbraw/zinc/20/17/35/485201735.db2.gz FEELZWFPPACNGA-HUUCEWRRSA-N 2 1 370.494 -0.480 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000424491677 485201643 /nfs/dbraw/zinc/20/16/43/485201643.db2.gz FEELZWFPPACNGA-LSDHHAIUSA-N 2 1 370.494 -0.480 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491812 485201627 /nfs/dbraw/zinc/20/16/27/485201627.db2.gz FVZGKKUYVJMQFU-OKZBNKHCSA-N 2 1 372.469 -0.095 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491813 485202128 /nfs/dbraw/zinc/20/21/28/485202128.db2.gz FVZGKKUYVJMQFU-RCCFBDPRSA-N 2 1 372.469 -0.095 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000424494581 485201505 /nfs/dbraw/zinc/20/15/05/485201505.db2.gz NTXQUTJZUVMTJO-RDTXWAMCSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497202 485203056 /nfs/dbraw/zinc/20/30/56/485203056.db2.gz WLIWYXIHPXALPF-HRCADAONSA-N 2 1 362.478 -0.386 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497203 485202713 /nfs/dbraw/zinc/20/27/13/485202713.db2.gz WLIWYXIHPXALPF-OWCLPIDISA-N 2 1 362.478 -0.386 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000424497749 485202605 /nfs/dbraw/zinc/20/26/05/485202605.db2.gz XRWDUDLHDBCQDL-CABCVRRESA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000424497750 485202960 /nfs/dbraw/zinc/20/29/60/485202960.db2.gz XRWDUDLHDBCQDL-GJZGRUSLSA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000424497751 485203075 /nfs/dbraw/zinc/20/30/75/485203075.db2.gz XRWDUDLHDBCQDL-HUUCEWRRSA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000424497752 485202920 /nfs/dbraw/zinc/20/29/20/485202920.db2.gz XRWDUDLHDBCQDL-LSDHHAIUSA-N 2 1 354.495 -0.001 20 0 FBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424511287 485205381 /nfs/dbraw/zinc/20/53/81/485205381.db2.gz SWLIPCHEHRNNSR-UHOFOFEASA-N 2 1 373.461 -0.369 20 0 FBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424511288 485205014 /nfs/dbraw/zinc/20/50/14/485205014.db2.gz SWLIPCHEHRNNSR-VBNZEHGJSA-N 2 1 373.461 -0.369 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H](c3ccco3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424513834 485207124 /nfs/dbraw/zinc/20/71/24/485207124.db2.gz YJKJPUYSWNXXOV-RRFJBIMHSA-N 2 1 374.445 -0.315 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H](c3ccco3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424513837 485206342 /nfs/dbraw/zinc/20/63/42/485206342.db2.gz YJKJPUYSWNXXOV-ZNMIVQPWSA-N 2 1 374.445 -0.315 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424518688 485207897 /nfs/dbraw/zinc/20/78/97/485207897.db2.gz IHCZJPIDMIFKAF-BHYGNILZSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424518689 485208418 /nfs/dbraw/zinc/20/84/18/485208418.db2.gz IHCZJPIDMIFKAF-HYVNUMGLSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424521172 485208181 /nfs/dbraw/zinc/20/81/81/485208181.db2.gz LMUJFALLXOCJTO-JKSUJKDBSA-N 2 1 362.478 -0.336 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523037 485207974 /nfs/dbraw/zinc/20/79/74/485207974.db2.gz NWBWFDVYWZFUNP-HRCADAONSA-N 2 1 362.478 -0.336 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523040 485208314 /nfs/dbraw/zinc/20/83/14/485208314.db2.gz NWBWFDVYWZFUNP-OWCLPIDISA-N 2 1 362.478 -0.336 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424523529 485209708 /nfs/dbraw/zinc/20/97/08/485209708.db2.gz ONZIGIZZFLALOV-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424523530 485209452 /nfs/dbraw/zinc/20/94/52/485209452.db2.gz ONZIGIZZFLALOV-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424529786 485214624 /nfs/dbraw/zinc/21/46/24/485214624.db2.gz VGLRPZJAVNMJBE-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424529791 485213943 /nfs/dbraw/zinc/21/39/43/485213943.db2.gz VGLRPZJAVNMJBE-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424529795 485214339 /nfs/dbraw/zinc/21/43/39/485214339.db2.gz VGLRPZJAVNMJBE-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424529799 485214096 /nfs/dbraw/zinc/21/40/96/485214096.db2.gz VGLRPZJAVNMJBE-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534712 485223375 /nfs/dbraw/zinc/22/33/75/485223375.db2.gz ZKNMHMQRZOESTI-CWRNSKLLSA-N 2 1 362.478 -0.479 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534713 485222408 /nfs/dbraw/zinc/22/24/08/485222408.db2.gz ZKNMHMQRZOESTI-VNQPRFMTSA-N 2 1 362.478 -0.479 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535228 485222932 /nfs/dbraw/zinc/22/29/32/485222932.db2.gz ZYLOBEHOLALCNA-AEGPPILISA-N 2 1 350.467 -0.480 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535229 485223386 /nfs/dbraw/zinc/22/33/86/485223386.db2.gz ZYLOBEHOLALCNA-VHDGCEQUSA-N 2 1 350.467 -0.480 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424535694 485222720 /nfs/dbraw/zinc/22/27/20/485222720.db2.gz AJSSCSKYYNOMPC-JKSUJKDBSA-N 2 1 360.462 -0.559 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000424538664 485225009 /nfs/dbraw/zinc/22/50/09/485225009.db2.gz DHPKWHDECCYYGS-KBPBESRZSA-N 2 1 370.494 -0.215 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000424538668 485224674 /nfs/dbraw/zinc/22/46/74/485224674.db2.gz DHPKWHDECCYYGS-KGLIPLIRSA-N 2 1 370.494 -0.215 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000424538671 485224648 /nfs/dbraw/zinc/22/46/48/485224648.db2.gz DHPKWHDECCYYGS-UONOGXRCSA-N 2 1 370.494 -0.215 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000424538672 485224370 /nfs/dbraw/zinc/22/43/70/485224370.db2.gz DHPKWHDECCYYGS-ZIAGYGMSSA-N 2 1 370.494 -0.215 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000424543774 485227696 /nfs/dbraw/zinc/22/76/96/485227696.db2.gz JTCRXIBDQDZFHE-UHFFFAOYSA-N 2 1 352.479 -0.018 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424545943 485228999 /nfs/dbraw/zinc/22/89/99/485228999.db2.gz MEIXXTPKVOSLLG-JKSUJKDBSA-N 2 1 360.462 -0.773 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000424547061 485228650 /nfs/dbraw/zinc/22/86/50/485228650.db2.gz OCNRCOLTPATPDG-AWEZNQCLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000424547062 485228869 /nfs/dbraw/zinc/22/88/69/485228869.db2.gz OCNRCOLTPATPDG-CQSZACIVSA-N 2 1 356.467 -0.950 20 0 FBADMP CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424547516 485228734 /nfs/dbraw/zinc/22/87/34/485228734.db2.gz OQQBANFRSZZORY-HRCADAONSA-N 2 1 360.462 -0.632 20 0 FBADMP CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424547517 485228479 /nfs/dbraw/zinc/22/84/79/485228479.db2.gz OQQBANFRSZZORY-OWCLPIDISA-N 2 1 360.462 -0.632 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548982 485229764 /nfs/dbraw/zinc/22/97/64/485229764.db2.gz QQEGWRCVYBKEGG-CWRNSKLLSA-N 2 1 362.478 -0.527 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548983 485230200 /nfs/dbraw/zinc/23/02/00/485230200.db2.gz QQEGWRCVYBKEGG-VNQPRFMTSA-N 2 1 362.478 -0.527 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000424550165 485230035 /nfs/dbraw/zinc/23/00/35/485230035.db2.gz SFTXDJGVVGHJGJ-ARFHVFGLSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000424550165 485230031 /nfs/dbraw/zinc/23/00/31/485230031.db2.gz SFTXDJGVVGHJGJ-ARFHVFGLSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000424550170 485230138 /nfs/dbraw/zinc/23/01/38/485230138.db2.gz SFTXDJGVVGHJGJ-XHSDSOJGSA-N 2 1 362.478 -0.528 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000424550170 485230135 /nfs/dbraw/zinc/23/01/35/485230135.db2.gz SFTXDJGVVGHJGJ-XHSDSOJGSA-N 2 1 362.478 -0.528 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424551009 485229931 /nfs/dbraw/zinc/22/99/31/485229931.db2.gz USZRKQFFJNSWKL-OKZBNKHCSA-N 2 1 372.469 -0.176 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424551011 485229628 /nfs/dbraw/zinc/22/96/28/485229628.db2.gz USZRKQFFJNSWKL-RCCFBDPRSA-N 2 1 372.469 -0.176 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424551289 485229994 /nfs/dbraw/zinc/22/99/94/485229994.db2.gz VARKAJGJSZDZAE-JKSUJKDBSA-N 2 1 362.478 -0.527 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552656 485229602 /nfs/dbraw/zinc/22/96/02/485229602.db2.gz QLBYATPXCRSGDJ-CAPXZKIUSA-N 2 1 360.462 -0.728 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552657 485230072 /nfs/dbraw/zinc/23/00/72/485230072.db2.gz QLBYATPXCRSGDJ-DANNLKNASA-N 2 1 360.462 -0.728 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552658 485229406 /nfs/dbraw/zinc/22/94/06/485229406.db2.gz QLBYATPXCRSGDJ-KSYCFECVSA-N 2 1 360.462 -0.728 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552659 485229427 /nfs/dbraw/zinc/22/94/27/485229427.db2.gz QLBYATPXCRSGDJ-MSQAHXEGSA-N 2 1 360.462 -0.728 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000424553104 485229561 /nfs/dbraw/zinc/22/95/61/485229561.db2.gz QZMOVURLVSLDDL-DLKVLKDVSA-N 2 1 360.462 -0.585 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000424553110 485229853 /nfs/dbraw/zinc/22/98/53/485229853.db2.gz QZMOVURLVSLDDL-RUAUBTSSSA-N 2 1 360.462 -0.585 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000424553111 485230049 /nfs/dbraw/zinc/23/00/49/485230049.db2.gz QZMOVURLVSLDDL-SHPPOPEUSA-N 2 1 360.462 -0.585 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000424553113 485229373 /nfs/dbraw/zinc/22/93/73/485229373.db2.gz QZMOVURLVSLDDL-XABYNWHXSA-N 2 1 360.462 -0.585 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)C[C@H]2[NH3+])cn1 ZINC000424556200 485231267 /nfs/dbraw/zinc/23/12/67/485231267.db2.gz UGOLYCNNGOHUFZ-CWRNSKLLSA-N 2 1 362.478 -0.479 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)C[C@H]2[NH3+])cn1 ZINC000424556201 485231219 /nfs/dbraw/zinc/23/12/19/485231219.db2.gz UGOLYCNNGOHUFZ-VNQPRFMTSA-N 2 1 362.478 -0.479 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424556237 485231063 /nfs/dbraw/zinc/23/10/63/485231063.db2.gz UKMZUBNGALLTTC-LSDHHAIUSA-N 2 1 350.467 -0.479 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000425003951 483787119 /nfs/dbraw/zinc/78/71/19/483787119.db2.gz TYYHIDVBAIHRGK-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000425003952 483787132 /nfs/dbraw/zinc/78/71/32/483787132.db2.gz TYYHIDVBAIHRGK-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1=O ZINC000425317981 483897772 /nfs/dbraw/zinc/89/77/72/483897772.db2.gz NZSMTYYTFCLHAR-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1=O ZINC000425317981 483897770 /nfs/dbraw/zinc/89/77/70/483897770.db2.gz NZSMTYYTFCLHAR-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)CC1=O ZINC000425317981 483897768 /nfs/dbraw/zinc/89/77/68/483897768.db2.gz NZSMTYYTFCLHAR-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1=O ZINC000425317982 483897609 /nfs/dbraw/zinc/89/76/09/483897609.db2.gz NZSMTYYTFCLHAR-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1=O ZINC000425317982 483897607 /nfs/dbraw/zinc/89/76/07/483897607.db2.gz NZSMTYYTFCLHAR-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)[C@H]2CCSC2)CC1=O ZINC000425317982 483897605 /nfs/dbraw/zinc/89/76/05/483897605.db2.gz NZSMTYYTFCLHAR-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1=O ZINC000425317983 483897741 /nfs/dbraw/zinc/89/77/41/483897741.db2.gz NZSMTYYTFCLHAR-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1=O ZINC000425317983 483897739 /nfs/dbraw/zinc/89/77/39/483897739.db2.gz NZSMTYYTFCLHAR-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)CC1=O ZINC000425317983 483897738 /nfs/dbraw/zinc/89/77/38/483897738.db2.gz NZSMTYYTFCLHAR-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1=O ZINC000425317984 483897918 /nfs/dbraw/zinc/89/79/18/483897918.db2.gz NZSMTYYTFCLHAR-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1=O ZINC000425317984 483897916 /nfs/dbraw/zinc/89/79/16/483897916.db2.gz NZSMTYYTFCLHAR-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)CC1=O ZINC000425317984 483897915 /nfs/dbraw/zinc/89/79/15/483897915.db2.gz NZSMTYYTFCLHAR-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000425318332 483896494 /nfs/dbraw/zinc/89/64/94/483896494.db2.gz OGGKRIFTMKQSLQ-CABCVRRESA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000425318332 483896492 /nfs/dbraw/zinc/89/64/92/483896492.db2.gz OGGKRIFTMKQSLQ-CABCVRRESA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318332 483896490 /nfs/dbraw/zinc/89/64/90/483896490.db2.gz OGGKRIFTMKQSLQ-CABCVRRESA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318332 483896487 /nfs/dbraw/zinc/89/64/87/483896487.db2.gz OGGKRIFTMKQSLQ-CABCVRRESA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000425318333 483896567 /nfs/dbraw/zinc/89/65/67/483896567.db2.gz OGGKRIFTMKQSLQ-GJZGRUSLSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000425318333 483896565 /nfs/dbraw/zinc/89/65/65/483896565.db2.gz OGGKRIFTMKQSLQ-GJZGRUSLSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318333 483896563 /nfs/dbraw/zinc/89/65/63/483896563.db2.gz OGGKRIFTMKQSLQ-GJZGRUSLSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318333 483896561 /nfs/dbraw/zinc/89/65/61/483896561.db2.gz OGGKRIFTMKQSLQ-GJZGRUSLSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000425318334 483897227 /nfs/dbraw/zinc/89/72/27/483897227.db2.gz OGGKRIFTMKQSLQ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000425318334 483897225 /nfs/dbraw/zinc/89/72/25/483897225.db2.gz OGGKRIFTMKQSLQ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318334 483897224 /nfs/dbraw/zinc/89/72/24/483897224.db2.gz OGGKRIFTMKQSLQ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318334 483897222 /nfs/dbraw/zinc/89/72/22/483897222.db2.gz OGGKRIFTMKQSLQ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000425318335 483896904 /nfs/dbraw/zinc/89/69/04/483896904.db2.gz OGGKRIFTMKQSLQ-LSDHHAIUSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000425318335 483896900 /nfs/dbraw/zinc/89/69/00/483896900.db2.gz OGGKRIFTMKQSLQ-LSDHHAIUSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318335 483896898 /nfs/dbraw/zinc/89/68/98/483896898.db2.gz OGGKRIFTMKQSLQ-LSDHHAIUSA-N 2 1 356.467 -0.998 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000425318335 483896895 /nfs/dbraw/zinc/89/68/95/483896895.db2.gz OGGKRIFTMKQSLQ-LSDHHAIUSA-N 2 1 356.467 -0.998 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425378214 483995492 /nfs/dbraw/zinc/99/54/92/483995492.db2.gz BTRYAMIBGZBYOJ-UHFFFAOYSA-N 2 1 372.510 -0.408 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425379710 483996680 /nfs/dbraw/zinc/99/66/80/483996680.db2.gz BAIIWBYRWXHLHC-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425379710 483996677 /nfs/dbraw/zinc/99/66/77/483996677.db2.gz BAIIWBYRWXHLHC-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425379710 483996670 /nfs/dbraw/zinc/99/66/70/483996670.db2.gz BAIIWBYRWXHLHC-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425379710 483996664 /nfs/dbraw/zinc/99/66/64/483996664.db2.gz BAIIWBYRWXHLHC-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425379712 483996229 /nfs/dbraw/zinc/99/62/29/483996229.db2.gz BAIIWBYRWXHLHC-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425379712 483996227 /nfs/dbraw/zinc/99/62/27/483996227.db2.gz BAIIWBYRWXHLHC-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425379712 483996221 /nfs/dbraw/zinc/99/62/21/483996221.db2.gz BAIIWBYRWXHLHC-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425379712 483996216 /nfs/dbraw/zinc/99/62/16/483996216.db2.gz BAIIWBYRWXHLHC-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425381796 483997349 /nfs/dbraw/zinc/99/73/49/483997349.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 2 1 365.522 -0.365 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425381796 483997337 /nfs/dbraw/zinc/99/73/37/483997337.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 2 1 365.522 -0.365 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425381796 483997329 /nfs/dbraw/zinc/99/73/29/483997329.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 2 1 365.522 -0.365 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425388474 484000030 /nfs/dbraw/zinc/00/00/30/484000030.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425388474 484000024 /nfs/dbraw/zinc/00/00/24/484000024.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1 ZINC000425388474 484000018 /nfs/dbraw/zinc/00/00/18/484000018.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000425393325 484007355 /nfs/dbraw/zinc/00/73/55/484007355.db2.gz DFKIUGUBCQNBLQ-IXDOHACOSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000425393325 484007350 /nfs/dbraw/zinc/00/73/50/484007350.db2.gz DFKIUGUBCQNBLQ-IXDOHACOSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000425393326 484006943 /nfs/dbraw/zinc/00/69/43/484006943.db2.gz DFKIUGUBCQNBLQ-YESZJQIVSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000425393326 484006935 /nfs/dbraw/zinc/00/69/35/484006935.db2.gz DFKIUGUBCQNBLQ-YESZJQIVSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)[C@@H]2C1 ZINC000425395785 484007493 /nfs/dbraw/zinc/00/74/93/484007493.db2.gz YAGJRZPKPRKOAM-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)[C@@H]2C1 ZINC000425395785 484007487 /nfs/dbraw/zinc/00/74/87/484007487.db2.gz YAGJRZPKPRKOAM-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000425396333 484006608 /nfs/dbraw/zinc/00/66/08/484006608.db2.gz YOKPYAZBQXMHLM-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000425396333 484006599 /nfs/dbraw/zinc/00/65/99/484006599.db2.gz YOKPYAZBQXMHLM-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000425410103 484013357 /nfs/dbraw/zinc/01/33/57/484013357.db2.gz ZGTYJZJLBTUUQS-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000425410103 484013351 /nfs/dbraw/zinc/01/33/51/484013351.db2.gz ZGTYJZJLBTUUQS-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000425410103 484013345 /nfs/dbraw/zinc/01/33/45/484013345.db2.gz ZGTYJZJLBTUUQS-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000425410103 484013337 /nfs/dbraw/zinc/01/33/37/484013337.db2.gz ZGTYJZJLBTUUQS-HRCADAONSA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000425410104 484012130 /nfs/dbraw/zinc/01/21/30/484012130.db2.gz ZGTYJZJLBTUUQS-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[NH+]1CC(C)(C)O ZINC000425410104 484012121 /nfs/dbraw/zinc/01/21/21/484012121.db2.gz ZGTYJZJLBTUUQS-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000425410104 484012117 /nfs/dbraw/zinc/01/21/17/484012117.db2.gz ZGTYJZJLBTUUQS-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000425410104 484012112 /nfs/dbraw/zinc/01/21/12/484012112.db2.gz ZGTYJZJLBTUUQS-OWCLPIDISA-N 2 1 366.506 -0.157 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000425885022 485327540 /nfs/dbraw/zinc/32/75/40/485327540.db2.gz GZFXTOGYUQJPDX-UHFFFAOYSA-N 2 1 358.483 -0.750 20 0 FBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)n2)CC1 ZINC000427077506 484135556 /nfs/dbraw/zinc/13/55/56/484135556.db2.gz PIIGBGJUHQTZTA-CYBMUJFWSA-N 2 1 360.462 0.441 20 0 FBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)n2)CC1 ZINC000427077507 484134497 /nfs/dbraw/zinc/13/44/97/484134497.db2.gz PIIGBGJUHQTZTA-ZDUSSCGKSA-N 2 1 360.462 0.441 20 0 FBADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427083847 484197181 /nfs/dbraw/zinc/19/71/81/484197181.db2.gz DQDHPSUDXKXPBW-UHFFFAOYSA-N 2 1 350.467 0.545 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC000427872786 484150318 /nfs/dbraw/zinc/15/03/18/484150318.db2.gz DSXHPCGATSKNHJ-OKILXGFUSA-N 2 1 360.462 0.108 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000428179892 483897457 /nfs/dbraw/zinc/89/74/57/483897457.db2.gz YYYQPHKMIXQZTA-UHFFFAOYSA-N 2 1 373.501 -0.306 20 0 FBADMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@H](C)CO)CC1)[C@H](C)CO ZINC000428842100 485346613 /nfs/dbraw/zinc/34/66/13/485346613.db2.gz RTEJNDHVUBXAMZ-HZPDHXFCSA-N 2 1 372.510 -0.937 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000429668901 485358530 /nfs/dbraw/zinc/35/85/30/485358530.db2.gz BEXKYLXACOEAQV-HNNXBMFYSA-N 2 1 360.524 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000429668901 485358527 /nfs/dbraw/zinc/35/85/27/485358527.db2.gz BEXKYLXACOEAQV-HNNXBMFYSA-N 2 1 360.524 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000429668902 485358721 /nfs/dbraw/zinc/35/87/21/485358721.db2.gz BEXKYLXACOEAQV-OAHLLOKOSA-N 2 1 360.524 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000429668902 485358718 /nfs/dbraw/zinc/35/87/18/485358718.db2.gz BEXKYLXACOEAQV-OAHLLOKOSA-N 2 1 360.524 -0.056 20 0 FBADMP CCS(=O)(=O)N(C)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429674374 485358683 /nfs/dbraw/zinc/35/86/83/485358683.db2.gz CWZXAXNXHITVFY-UHFFFAOYSA-N 2 1 360.524 -0.104 20 0 FBADMP CCN(C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000429681726 484958326 /nfs/dbraw/zinc/95/83/26/484958326.db2.gz WWSDYHHTCNQWSQ-UHFFFAOYSA-N 2 1 360.524 -0.104 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000430256260 485365120 /nfs/dbraw/zinc/36/51/20/485365120.db2.gz XYWRJEQRVPSMIL-CRAIPNDOSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000430256260 485365119 /nfs/dbraw/zinc/36/51/19/485365119.db2.gz XYWRJEQRVPSMIL-CRAIPNDOSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256260 485365118 /nfs/dbraw/zinc/36/51/18/485365118.db2.gz XYWRJEQRVPSMIL-CRAIPNDOSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000430256262 485365076 /nfs/dbraw/zinc/36/50/76/485365076.db2.gz XYWRJEQRVPSMIL-MAUKXSAKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000430256262 485365075 /nfs/dbraw/zinc/36/50/75/485365075.db2.gz XYWRJEQRVPSMIL-MAUKXSAKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256262 485365073 /nfs/dbraw/zinc/36/50/73/485365073.db2.gz XYWRJEQRVPSMIL-MAUKXSAKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000430256264 485364937 /nfs/dbraw/zinc/36/49/37/485364937.db2.gz XYWRJEQRVPSMIL-QAPCUYQASA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000430256264 485364935 /nfs/dbraw/zinc/36/49/35/485364935.db2.gz XYWRJEQRVPSMIL-QAPCUYQASA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256264 485364933 /nfs/dbraw/zinc/36/49/33/485364933.db2.gz XYWRJEQRVPSMIL-QAPCUYQASA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000430256266 485364653 /nfs/dbraw/zinc/36/46/53/485364653.db2.gz XYWRJEQRVPSMIL-YJBOKZPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000430256266 485364650 /nfs/dbraw/zinc/36/46/50/485364650.db2.gz XYWRJEQRVPSMIL-YJBOKZPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256266 485364647 /nfs/dbraw/zinc/36/46/47/485364647.db2.gz XYWRJEQRVPSMIL-YJBOKZPZSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC2(C[N@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364879 /nfs/dbraw/zinc/36/48/79/485364879.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364877 /nfs/dbraw/zinc/36/48/77/485364877.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[N@@H+](CC2(C[NH+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364874 /nfs/dbraw/zinc/36/48/74/485364874.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261776 485365021 /nfs/dbraw/zinc/36/50/21/485365021.db2.gz VGMVHOHXOGAOCP-QZTJIDSGSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261779 485364855 /nfs/dbraw/zinc/36/48/55/485364855.db2.gz VGMVHOHXOGAOCP-ROUUACIJSA-N 2 1 366.506 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268109 485364669 /nfs/dbraw/zinc/36/46/69/485364669.db2.gz IXWUEDLUULRNOG-HDICACEKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268109 485364667 /nfs/dbraw/zinc/36/46/67/485364667.db2.gz IXWUEDLUULRNOG-HDICACEKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[N@@H+](CCOCC[NH+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268109 485364665 /nfs/dbraw/zinc/36/46/65/485364665.db2.gz IXWUEDLUULRNOG-HDICACEKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268263 485364801 /nfs/dbraw/zinc/36/48/01/485364801.db2.gz IXWUEDLUULRNOG-QZTJIDSGSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268264 485365056 /nfs/dbraw/zinc/36/50/56/485365056.db2.gz IXWUEDLUULRNOG-ROUUACIJSA-N 2 1 354.495 -0.081 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430598131 483883199 /nfs/dbraw/zinc/88/31/99/483883199.db2.gz BUKNDIMLTZCOLK-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430598131 483883197 /nfs/dbraw/zinc/88/31/97/483883197.db2.gz BUKNDIMLTZCOLK-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430598134 483883217 /nfs/dbraw/zinc/88/32/17/483883217.db2.gz BUKNDIMLTZCOLK-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430598134 483883215 /nfs/dbraw/zinc/88/32/15/483883215.db2.gz BUKNDIMLTZCOLK-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430602957 483904134 /nfs/dbraw/zinc/90/41/34/483904134.db2.gz IHOFPJQUIAMIPI-AWEZNQCLSA-N 2 1 353.467 -0.388 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430602959 483903929 /nfs/dbraw/zinc/90/39/29/483903929.db2.gz IHOFPJQUIAMIPI-CQSZACIVSA-N 2 1 353.467 -0.388 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430606440 483904242 /nfs/dbraw/zinc/90/42/42/483904242.db2.gz WQTMDXZIPUCWAW-AWEZNQCLSA-N 2 1 372.477 -0.317 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430606440 483904241 /nfs/dbraw/zinc/90/42/41/483904241.db2.gz WQTMDXZIPUCWAW-AWEZNQCLSA-N 2 1 372.477 -0.317 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430606441 483903386 /nfs/dbraw/zinc/90/33/86/483903386.db2.gz WQTMDXZIPUCWAW-CQSZACIVSA-N 2 1 372.477 -0.317 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430606441 483903383 /nfs/dbraw/zinc/90/33/83/483903383.db2.gz WQTMDXZIPUCWAW-CQSZACIVSA-N 2 1 372.477 -0.317 20 0 FBADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430607808 483885106 /nfs/dbraw/zinc/88/51/06/483885106.db2.gz ZRDFIOATWVBSHP-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430607809 483885159 /nfs/dbraw/zinc/88/51/59/483885159.db2.gz ZRDFIOATWVBSHP-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430607810 483885015 /nfs/dbraw/zinc/88/50/15/483885015.db2.gz ZRDFIOATWVBSHP-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430607811 483904091 /nfs/dbraw/zinc/90/40/91/483904091.db2.gz ZRDFIOATWVBSHP-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430608061 483903331 /nfs/dbraw/zinc/90/33/31/483903331.db2.gz DKMOEOVQCWHAGO-HNNXBMFYSA-N 2 1 353.511 -0.238 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430608061 483903329 /nfs/dbraw/zinc/90/33/29/483903329.db2.gz DKMOEOVQCWHAGO-HNNXBMFYSA-N 3 1 353.511 -0.238 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430608062 483903765 /nfs/dbraw/zinc/90/37/65/483903765.db2.gz DKMOEOVQCWHAGO-OAHLLOKOSA-N 2 1 353.511 -0.238 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430608062 483903761 /nfs/dbraw/zinc/90/37/61/483903761.db2.gz DKMOEOVQCWHAGO-OAHLLOKOSA-N 3 1 353.511 -0.238 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430608097 483904376 /nfs/dbraw/zinc/90/43/76/483904376.db2.gz CFEYJGQQECIUFO-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430608098 483903679 /nfs/dbraw/zinc/90/36/79/483903679.db2.gz CFEYJGQQECIUFO-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430608099 483903478 /nfs/dbraw/zinc/90/34/78/483903478.db2.gz CFEYJGQQECIUFO-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430608100 483903604 /nfs/dbraw/zinc/90/36/04/483903604.db2.gz CFEYJGQQECIUFO-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609419 483903541 /nfs/dbraw/zinc/90/35/41/483903541.db2.gz HSYLRWUZGJJTOW-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609419 483903538 /nfs/dbraw/zinc/90/35/38/483903538.db2.gz HSYLRWUZGJJTOW-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609420 483903638 /nfs/dbraw/zinc/90/36/38/483903638.db2.gz HSYLRWUZGJJTOW-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609420 483903634 /nfs/dbraw/zinc/90/36/34/483903634.db2.gz HSYLRWUZGJJTOW-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609421 483904005 /nfs/dbraw/zinc/90/40/05/483904005.db2.gz HSYLRWUZGJJTOW-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609421 483904001 /nfs/dbraw/zinc/90/40/01/483904001.db2.gz HSYLRWUZGJJTOW-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609422 483903565 /nfs/dbraw/zinc/90/35/65/483903565.db2.gz HSYLRWUZGJJTOW-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N1CCCCC1 ZINC000430609422 483903561 /nfs/dbraw/zinc/90/35/61/483903561.db2.gz HSYLRWUZGJJTOW-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP O=C([C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1)N1CC[NH2+]CC1 ZINC000430610386 483904258 /nfs/dbraw/zinc/90/42/58/483904258.db2.gz KMUJOKQXUPYTHJ-HNNXBMFYSA-N 2 1 358.446 -0.360 20 0 FBADMP O=C([C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1)N1CC[NH2+]CC1 ZINC000430610388 483903892 /nfs/dbraw/zinc/90/38/92/483903892.db2.gz KMUJOKQXUPYTHJ-OAHLLOKOSA-N 2 1 358.446 -0.360 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430612146 483904225 /nfs/dbraw/zinc/90/42/25/483904225.db2.gz QLJAOMSQFHWBLS-SECBINFHSA-N 2 1 353.345 -0.839 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430612149 483904051 /nfs/dbraw/zinc/90/40/51/483904051.db2.gz QLJAOMSQFHWBLS-VIFPVBQESA-N 2 1 353.345 -0.839 20 0 FBADMP C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000430612311 483903789 /nfs/dbraw/zinc/90/37/89/483903789.db2.gz RRXFLSYLFGSRIP-UHFFFAOYSA-N 2 1 361.446 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000430612370 483904289 /nfs/dbraw/zinc/90/42/89/483904289.db2.gz SGWKMNVMBZIGAX-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000430612371 483903462 /nfs/dbraw/zinc/90/34/62/483903462.db2.gz SGWKMNVMBZIGAX-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000430612372 483903353 /nfs/dbraw/zinc/90/33/53/483903353.db2.gz SGWKMNVMBZIGAX-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000430612373 483904299 /nfs/dbraw/zinc/90/42/99/483904299.db2.gz SGWKMNVMBZIGAX-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430615023 483903585 /nfs/dbraw/zinc/90/35/85/483903585.db2.gz ASQKSEVWCKDVLU-CVEARBPZSA-N 2 1 372.535 -0.198 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430615024 483904313 /nfs/dbraw/zinc/90/43/13/483904313.db2.gz ASQKSEVWCKDVLU-HOTGVXAUSA-N 2 1 372.535 -0.198 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430615025 483903944 /nfs/dbraw/zinc/90/39/44/483903944.db2.gz ASQKSEVWCKDVLU-HZPDHXFCSA-N 2 1 372.535 -0.198 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430615026 483904271 /nfs/dbraw/zinc/90/42/71/483904271.db2.gz ASQKSEVWCKDVLU-JKSUJKDBSA-N 2 1 372.535 -0.198 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430616641 483904872 /nfs/dbraw/zinc/90/48/72/483904872.db2.gz GOMFBLZIAYFHIJ-AWEZNQCLSA-N 2 1 354.476 -0.248 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430616642 483905068 /nfs/dbraw/zinc/90/50/68/483905068.db2.gz GOMFBLZIAYFHIJ-CQSZACIVSA-N 2 1 354.476 -0.248 20 0 FBADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620743 483905130 /nfs/dbraw/zinc/90/51/30/483905130.db2.gz BRGJQEKUHQKECK-GXTWGEPZSA-N 2 1 361.446 -0.101 20 0 FBADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620744 483904815 /nfs/dbraw/zinc/90/48/15/483904815.db2.gz BRGJQEKUHQKECK-JSGCOSHPSA-N 2 1 361.446 -0.101 20 0 FBADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620745 483905108 /nfs/dbraw/zinc/90/51/08/483905108.db2.gz BRGJQEKUHQKECK-OCCSQVGLSA-N 2 1 361.446 -0.101 20 0 FBADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620746 483905244 /nfs/dbraw/zinc/90/52/44/483905244.db2.gz BRGJQEKUHQKECK-TZMCWYRMSA-N 2 1 361.446 -0.101 20 0 FBADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625201 483905578 /nfs/dbraw/zinc/90/55/78/483905578.db2.gz PWWPJJQYWWYECJ-CYBMUJFWSA-N 2 1 353.467 -0.246 20 0 FBADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625202 483904842 /nfs/dbraw/zinc/90/48/42/483904842.db2.gz PWWPJJQYWWYECJ-ZDUSSCGKSA-N 2 1 353.467 -0.246 20 0 FBADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628512 483905439 /nfs/dbraw/zinc/90/54/39/483905439.db2.gz OTWSHZNXAQLZKL-AWEZNQCLSA-N 2 1 353.467 -0.244 20 0 FBADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628514 483905527 /nfs/dbraw/zinc/90/55/27/483905527.db2.gz OTWSHZNXAQLZKL-CQSZACIVSA-N 2 1 353.467 -0.244 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430629358 483888149 /nfs/dbraw/zinc/88/81/49/483888149.db2.gz PYVWGSIVRSTDTJ-AWEZNQCLSA-N 2 1 351.495 -0.484 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430629358 483888147 /nfs/dbraw/zinc/88/81/47/483888147.db2.gz PYVWGSIVRSTDTJ-AWEZNQCLSA-N 3 1 351.495 -0.484 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430629361 483888545 /nfs/dbraw/zinc/88/85/45/483888545.db2.gz PYVWGSIVRSTDTJ-CQSZACIVSA-N 2 1 351.495 -0.484 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430629361 483888543 /nfs/dbraw/zinc/88/85/43/483888543.db2.gz PYVWGSIVRSTDTJ-CQSZACIVSA-N 3 1 351.495 -0.484 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430629816 483905289 /nfs/dbraw/zinc/90/52/89/483905289.db2.gz QOVQFJRWADKIRF-KRWDZBQOSA-N 2 1 373.501 -0.048 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430629818 483904897 /nfs/dbraw/zinc/90/48/97/483904897.db2.gz QOVQFJRWADKIRF-QGZVFWFLSA-N 2 1 373.501 -0.048 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631056 483905201 /nfs/dbraw/zinc/90/52/01/483905201.db2.gz SYGMNJKSDMJARW-HNNXBMFYSA-N 2 1 361.446 -0.201 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631057 483905625 /nfs/dbraw/zinc/90/56/25/483905625.db2.gz SYGMNJKSDMJARW-OAHLLOKOSA-N 2 1 361.446 -0.201 20 0 FBADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000430631621 483905219 /nfs/dbraw/zinc/90/52/19/483905219.db2.gz VMUAJHIPJKMQNH-UHFFFAOYSA-N 2 1 374.489 -0.516 20 0 FBADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633076 483904926 /nfs/dbraw/zinc/90/49/26/483904926.db2.gz BEUQGZOXGUWEHM-UWVGGRQHSA-N 2 1 367.372 -0.450 20 0 FBADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633078 483905476 /nfs/dbraw/zinc/90/54/76/483905476.db2.gz BEUQGZOXGUWEHM-VHSXEESVSA-N 2 1 367.372 -0.450 20 0 FBADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633080 483905326 /nfs/dbraw/zinc/90/53/26/483905326.db2.gz BEUQGZOXGUWEHM-ZJUUUORDSA-N 2 1 367.372 -0.450 20 0 FBADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430634133 483905487 /nfs/dbraw/zinc/90/54/87/483905487.db2.gz RBJFFEZOTRJWTD-AWEZNQCLSA-N 2 1 365.478 -0.149 20 0 FBADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430634134 483905157 /nfs/dbraw/zinc/90/51/57/483905157.db2.gz RBJFFEZOTRJWTD-CQSZACIVSA-N 2 1 365.478 -0.149 20 0 FBADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634257 483905415 /nfs/dbraw/zinc/90/54/15/483905415.db2.gz DEWPZDINTYWGSM-CVEARBPZSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634257 483905414 /nfs/dbraw/zinc/90/54/14/483905414.db2.gz DEWPZDINTYWGSM-CVEARBPZSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634258 483905048 /nfs/dbraw/zinc/90/50/48/483905048.db2.gz DEWPZDINTYWGSM-HOTGVXAUSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634258 483905045 /nfs/dbraw/zinc/90/50/45/483905045.db2.gz DEWPZDINTYWGSM-HOTGVXAUSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634259 483904794 /nfs/dbraw/zinc/90/47/94/483904794.db2.gz DEWPZDINTYWGSM-HZPDHXFCSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634259 483904787 /nfs/dbraw/zinc/90/47/87/483904787.db2.gz DEWPZDINTYWGSM-HZPDHXFCSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634260 483905030 /nfs/dbraw/zinc/90/50/30/483905030.db2.gz DEWPZDINTYWGSM-JKSUJKDBSA-N 2 1 374.489 -0.022 20 0 FBADMP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000430634260 483905025 /nfs/dbraw/zinc/90/50/25/483905025.db2.gz DEWPZDINTYWGSM-JKSUJKDBSA-N 2 1 374.489 -0.022 20 0 FBADMP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430634955 483905365 /nfs/dbraw/zinc/90/53/65/483905365.db2.gz UAJDHDPDVZZQKI-GDBMZVCRSA-N 2 1 360.462 -0.331 20 0 FBADMP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430634955 483905360 /nfs/dbraw/zinc/90/53/60/483905360.db2.gz UAJDHDPDVZZQKI-GDBMZVCRSA-N 2 1 360.462 -0.331 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000430637107 657432774 /nfs/dbraw/zinc/43/27/74/657432774.db2.gz KHAZQNKHSBORAI-CYBMUJFWSA-N 2 1 351.451 -0.362 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000430637108 657432902 /nfs/dbraw/zinc/43/29/02/657432902.db2.gz KHAZQNKHSBORAI-ZDUSSCGKSA-N 2 1 351.451 -0.362 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430637481 657434225 /nfs/dbraw/zinc/43/42/25/657434225.db2.gz BHRYEPVZEFWWAE-GFCCVEGCSA-N 2 1 367.475 -0.139 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430637482 657434297 /nfs/dbraw/zinc/43/42/97/657434297.db2.gz BHRYEPVZEFWWAE-LBPRGKRZSA-N 2 1 367.475 -0.139 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430642882 483906119 /nfs/dbraw/zinc/90/61/19/483906119.db2.gz PTPWTOMQNJFYSH-JTQLQIEISA-N 2 1 367.372 -0.449 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430642883 483906741 /nfs/dbraw/zinc/90/67/41/483906741.db2.gz PTPWTOMQNJFYSH-SNVBAGLBSA-N 2 1 367.372 -0.449 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430643214 483905920 /nfs/dbraw/zinc/90/59/20/483905920.db2.gz QPRMLIMSHSCRHE-CYBMUJFWSA-N 2 1 359.430 -0.241 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430643214 483905915 /nfs/dbraw/zinc/90/59/15/483905915.db2.gz QPRMLIMSHSCRHE-CYBMUJFWSA-N 2 1 359.430 -0.241 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430643215 483906873 /nfs/dbraw/zinc/90/68/73/483906873.db2.gz QPRMLIMSHSCRHE-ZDUSSCGKSA-N 2 1 359.430 -0.241 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430643215 483906870 /nfs/dbraw/zinc/90/68/70/483906870.db2.gz QPRMLIMSHSCRHE-ZDUSSCGKSA-N 2 1 359.430 -0.241 20 0 FBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643562 483906394 /nfs/dbraw/zinc/90/63/94/483906394.db2.gz MEFPMACSTNFNPN-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643563 483906585 /nfs/dbraw/zinc/90/65/85/483906585.db2.gz MEFPMACSTNFNPN-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000430643696 483907075 /nfs/dbraw/zinc/90/70/75/483907075.db2.gz RUOIKHYAXYMZHZ-UHFFFAOYSA-N 2 1 353.345 -0.872 20 0 FBADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430643702 483906192 /nfs/dbraw/zinc/90/61/92/483906192.db2.gz RVQGOYGRNAIXOD-UHFFFAOYSA-N 2 1 356.448 -0.048 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646809 483907148 /nfs/dbraw/zinc/90/71/48/483907148.db2.gz FAGGUIJOUNGWNX-CHWSQXEVSA-N 2 1 351.451 -0.493 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646816 657441151 /nfs/dbraw/zinc/44/11/51/657441151.db2.gz FAGGUIJOUNGWNX-OLZOCXBDSA-N 2 1 351.451 -0.493 20 0 FBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646825 657441310 /nfs/dbraw/zinc/44/13/10/657441310.db2.gz FAGGUIJOUNGWNX-QWHCGFSZSA-N 2 1 351.451 -0.493 20 0 FBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646834 483906651 /nfs/dbraw/zinc/90/66/51/483906651.db2.gz FAGGUIJOUNGWNX-STQMWFEESA-N 2 1 351.451 -0.493 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650602 483921233 /nfs/dbraw/zinc/92/12/33/483921233.db2.gz KOGMTUVRLZVPHU-INIZCTEOSA-N 2 1 365.522 -0.269 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650602 483921230 /nfs/dbraw/zinc/92/12/30/483921230.db2.gz KOGMTUVRLZVPHU-INIZCTEOSA-N 3 1 365.522 -0.269 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650604 483906927 /nfs/dbraw/zinc/90/69/27/483906927.db2.gz KOGMTUVRLZVPHU-MRXNPFEDSA-N 2 1 365.522 -0.269 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650604 483906921 /nfs/dbraw/zinc/90/69/21/483906921.db2.gz KOGMTUVRLZVPHU-MRXNPFEDSA-N 3 1 365.522 -0.269 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430651645 483906970 /nfs/dbraw/zinc/90/69/70/483906970.db2.gz WEQUVWNSNVRGHP-CYBMUJFWSA-N 2 1 351.451 -0.539 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430651646 483906305 /nfs/dbraw/zinc/90/63/05/483906305.db2.gz WEQUVWNSNVRGHP-ZDUSSCGKSA-N 2 1 351.451 -0.539 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430652215 483906831 /nfs/dbraw/zinc/90/68/31/483906831.db2.gz NBSWCXDFMXNPBI-BZUAXINKSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430652217 483906612 /nfs/dbraw/zinc/90/66/12/483906612.db2.gz NBSWCXDFMXNPBI-OAGGEKHMSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430652219 483906672 /nfs/dbraw/zinc/90/66/72/483906672.db2.gz NBSWCXDFMXNPBI-OWCLPIDISA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430652220 483906792 /nfs/dbraw/zinc/90/67/92/483906792.db2.gz NBSWCXDFMXNPBI-PMPSAXMXSA-N 2 1 352.479 -0.057 20 0 FBADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430652461 483907112 /nfs/dbraw/zinc/90/71/12/483907112.db2.gz XNUBOZVGIDOSKP-AWEZNQCLSA-N 2 1 361.446 -0.099 20 0 FBADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430652462 483907041 /nfs/dbraw/zinc/90/70/41/483907041.db2.gz XNUBOZVGIDOSKP-CQSZACIVSA-N 2 1 361.446 -0.099 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430656817 483906486 /nfs/dbraw/zinc/90/64/86/483906486.db2.gz VADIROBIOGGOTP-CVEARBPZSA-N 2 1 360.458 -0.107 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430656818 483906862 /nfs/dbraw/zinc/90/68/62/483906862.db2.gz VADIROBIOGGOTP-HOTGVXAUSA-N 2 1 360.458 -0.107 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430656819 483906334 /nfs/dbraw/zinc/90/63/34/483906334.db2.gz VADIROBIOGGOTP-HZPDHXFCSA-N 2 1 360.458 -0.107 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430656820 483905983 /nfs/dbraw/zinc/90/59/83/483905983.db2.gz VADIROBIOGGOTP-JKSUJKDBSA-N 2 1 360.458 -0.107 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671277 483906138 /nfs/dbraw/zinc/90/61/38/483906138.db2.gz XITKZLMNCOSKPU-KBPBESRZSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671278 483906844 /nfs/dbraw/zinc/90/68/44/483906844.db2.gz XITKZLMNCOSKPU-KGLIPLIRSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671279 483908315 /nfs/dbraw/zinc/90/83/15/483908315.db2.gz XITKZLMNCOSKPU-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671280 483908645 /nfs/dbraw/zinc/90/86/45/483908645.db2.gz XITKZLMNCOSKPU-ZIAGYGMSSA-N 2 1 353.467 -0.247 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000430695735 483908466 /nfs/dbraw/zinc/90/84/66/483908466.db2.gz HUNSXVLHPBEJLK-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000430695736 483907794 /nfs/dbraw/zinc/90/77/94/483907794.db2.gz HUNSXVLHPBEJLK-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)COC3C[NH2+]C3)CC2)CC1 ZINC000430738442 483909379 /nfs/dbraw/zinc/90/93/79/483909379.db2.gz YTXZMSFNMXHMSX-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(C[NH3+])n2)cn1 ZINC000430789585 483910640 /nfs/dbraw/zinc/91/06/40/483910640.db2.gz VKTGLJVFXUPUGJ-UHFFFAOYSA-N 2 1 351.436 -0.272 20 0 FBADMP COC1(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000430864849 483911035 /nfs/dbraw/zinc/91/10/35/483911035.db2.gz AOCCOZQGDVKYFC-UHFFFAOYSA-N 2 1 364.450 -0.636 20 0 FBADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cn2)CC1 ZINC000430869888 483912059 /nfs/dbraw/zinc/91/20/59/483912059.db2.gz ZAIFAHBWFIOZJL-HNNXBMFYSA-N 2 1 364.450 -0.636 20 0 FBADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[NH2+]C[C@H]3CCCO3)cn2)CC1 ZINC000430869890 483912504 /nfs/dbraw/zinc/91/25/04/483912504.db2.gz ZAIFAHBWFIOZJL-OAHLLOKOSA-N 2 1 364.450 -0.636 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430928963 483913932 /nfs/dbraw/zinc/91/39/32/483913932.db2.gz VVVUKSXPGGKZEB-CYBMUJFWSA-N 2 1 358.450 -0.708 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430928963 483913928 /nfs/dbraw/zinc/91/39/28/483913928.db2.gz VVVUKSXPGGKZEB-CYBMUJFWSA-N 2 1 358.450 -0.708 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430928967 483913577 /nfs/dbraw/zinc/91/35/77/483913577.db2.gz VVVUKSXPGGKZEB-ZDUSSCGKSA-N 2 1 358.450 -0.708 20 0 FBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430928967 483913570 /nfs/dbraw/zinc/91/35/70/483913570.db2.gz VVVUKSXPGGKZEB-ZDUSSCGKSA-N 2 1 358.450 -0.708 20 0 FBADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430948176 483914938 /nfs/dbraw/zinc/91/49/38/483914938.db2.gz HJGMNZYXUSPQQB-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430948176 483914937 /nfs/dbraw/zinc/91/49/37/483914937.db2.gz HJGMNZYXUSPQQB-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430948178 483914653 /nfs/dbraw/zinc/91/46/53/483914653.db2.gz HJGMNZYXUSPQQB-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430948178 483914646 /nfs/dbraw/zinc/91/46/46/483914646.db2.gz HJGMNZYXUSPQQB-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430948180 483914750 /nfs/dbraw/zinc/91/47/50/483914750.db2.gz HJGMNZYXUSPQQB-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430948180 483914747 /nfs/dbraw/zinc/91/47/47/483914747.db2.gz HJGMNZYXUSPQQB-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430948181 483914771 /nfs/dbraw/zinc/91/47/71/483914771.db2.gz HJGMNZYXUSPQQB-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430948181 483914769 /nfs/dbraw/zinc/91/47/69/483914769.db2.gz HJGMNZYXUSPQQB-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430951728 483914775 /nfs/dbraw/zinc/91/47/75/483914775.db2.gz MUKNLNGGSDCRSS-HNNXBMFYSA-N 2 1 366.487 -0.200 20 0 FBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430951728 483914774 /nfs/dbraw/zinc/91/47/74/483914774.db2.gz MUKNLNGGSDCRSS-HNNXBMFYSA-N 2 1 366.487 -0.200 20 0 FBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430951729 483914723 /nfs/dbraw/zinc/91/47/23/483914723.db2.gz MUKNLNGGSDCRSS-OAHLLOKOSA-N 2 1 366.487 -0.200 20 0 FBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430951729 483914721 /nfs/dbraw/zinc/91/47/21/483914721.db2.gz MUKNLNGGSDCRSS-OAHLLOKOSA-N 2 1 366.487 -0.200 20 0 FBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000430957211 657471343 /nfs/dbraw/zinc/47/13/43/657471343.db2.gz RGYPSNJBDBGHNU-UHFFFAOYSA-N 2 1 354.476 -0.322 20 0 FBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000430957211 657471337 /nfs/dbraw/zinc/47/13/37/657471337.db2.gz RGYPSNJBDBGHNU-UHFFFAOYSA-N 2 1 354.476 -0.322 20 0 FBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964103 657472207 /nfs/dbraw/zinc/47/22/07/657472207.db2.gz XYGJIRAZCCJUDL-HNNXBMFYSA-N 2 1 368.503 -0.076 20 0 FBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964104 657472291 /nfs/dbraw/zinc/47/22/91/657472291.db2.gz XYGJIRAZCCJUDL-OAHLLOKOSA-N 2 1 368.503 -0.076 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012933 483916022 /nfs/dbraw/zinc/91/60/22/483916022.db2.gz HYYZMOBSRNBOMR-DLBZAZTESA-N 2 1 354.495 -0.382 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012935 483916325 /nfs/dbraw/zinc/91/63/25/483916325.db2.gz HYYZMOBSRNBOMR-IAGOWNOFSA-N 2 1 354.495 -0.382 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012937 483915752 /nfs/dbraw/zinc/91/57/52/483915752.db2.gz HYYZMOBSRNBOMR-IRXDYDNUSA-N 2 1 354.495 -0.382 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012939 483915560 /nfs/dbraw/zinc/91/55/60/483915560.db2.gz HYYZMOBSRNBOMR-SJORKVTESA-N 2 1 354.495 -0.382 20 0 FBADMP CCC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC[NH2+]CC1 ZINC000431089105 483916911 /nfs/dbraw/zinc/91/69/11/483916911.db2.gz YYBCFLYBTDTBCX-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC[NH2+]CC1 ZINC000431089105 483916906 /nfs/dbraw/zinc/91/69/06/483916906.db2.gz YYBCFLYBTDTBCX-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431929541 483940738 /nfs/dbraw/zinc/94/07/38/483940738.db2.gz ZAUAQJCVOBZQKX-INIZCTEOSA-N 2 1 368.526 -0.476 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431929542 483939963 /nfs/dbraw/zinc/93/99/63/483939963.db2.gz ZAUAQJCVOBZQKX-MRXNPFEDSA-N 2 1 368.526 -0.476 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977416 483941838 /nfs/dbraw/zinc/94/18/38/483941838.db2.gz MKNIXOWOYXIZPF-INIZCTEOSA-N 2 1 369.510 -0.002 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977417 483942581 /nfs/dbraw/zinc/94/25/81/483942581.db2.gz MKNIXOWOYXIZPF-MRXNPFEDSA-N 2 1 369.510 -0.002 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)CC1 ZINC000432521226 483957799 /nfs/dbraw/zinc/95/77/99/483957799.db2.gz XDVYSKIXTKKEHU-JKSUJKDBSA-N 2 1 352.479 -0.498 20 0 FBADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000432532800 483959723 /nfs/dbraw/zinc/95/97/23/483959723.db2.gz VMJGRHFRFYJFSJ-DOTOQJQBSA-N 2 1 351.447 -0.017 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)C1 ZINC000432537843 483959021 /nfs/dbraw/zinc/95/90/21/483959021.db2.gz XAKDVXWKMOCXBJ-IXDOHACOSA-N 2 1 360.458 -0.277 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)C1 ZINC000432537845 483959506 /nfs/dbraw/zinc/95/95/06/483959506.db2.gz XAKDVXWKMOCXBJ-YESZJQIVSA-N 2 1 360.458 -0.277 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000432538358 483959410 /nfs/dbraw/zinc/95/94/10/483959410.db2.gz KYHVWUJPMCEKFY-CVEARBPZSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000432538359 483959469 /nfs/dbraw/zinc/95/94/69/483959469.db2.gz KYHVWUJPMCEKFY-HOTGVXAUSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538360 483959444 /nfs/dbraw/zinc/95/94/44/483959444.db2.gz KYHVWUJPMCEKFY-HZPDHXFCSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538361 483959564 /nfs/dbraw/zinc/95/95/64/483959564.db2.gz KYHVWUJPMCEKFY-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP COc1cc(C[NH+]2C[C@@H](O)C[C@H]2CO)cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000432794263 483964825 /nfs/dbraw/zinc/96/48/25/483964825.db2.gz AJXXPVQXVCIHMM-XSLAGTTESA-N 2 1 366.458 -0.450 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433119942 483971510 /nfs/dbraw/zinc/97/15/10/483971510.db2.gz WZMUODLTBMFDON-UHFFFAOYSA-N 3 1 353.511 -0.188 20 0 FBADMP [NH3+]C1CCN(CCCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000433160990 483971299 /nfs/dbraw/zinc/97/12/99/483971299.db2.gz JAJLSBGKQMOKOR-UHFFFAOYSA-N 2 1 365.522 -0.044 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433173227 483970373 /nfs/dbraw/zinc/97/03/73/483970373.db2.gz FXACIPQTEBHFHN-HNNXBMFYSA-N 2 1 353.511 -0.107 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433173227 483970366 /nfs/dbraw/zinc/97/03/66/483970366.db2.gz FXACIPQTEBHFHN-HNNXBMFYSA-N 2 1 353.511 -0.107 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433173227 483970359 /nfs/dbraw/zinc/97/03/59/483970359.db2.gz FXACIPQTEBHFHN-HNNXBMFYSA-N 3 1 353.511 -0.107 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433173232 483971096 /nfs/dbraw/zinc/97/10/96/483971096.db2.gz FXACIPQTEBHFHN-OAHLLOKOSA-N 2 1 353.511 -0.107 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433173232 483971088 /nfs/dbraw/zinc/97/10/88/483971088.db2.gz FXACIPQTEBHFHN-OAHLLOKOSA-N 2 1 353.511 -0.107 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433173232 483971085 /nfs/dbraw/zinc/97/10/85/483971085.db2.gz FXACIPQTEBHFHN-OAHLLOKOSA-N 3 1 353.511 -0.107 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433289399 483974067 /nfs/dbraw/zinc/97/40/67/483974067.db2.gz PNPOVTAQCQTLKF-HNNXBMFYSA-N 2 1 369.510 -0.003 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433289399 483974059 /nfs/dbraw/zinc/97/40/59/483974059.db2.gz PNPOVTAQCQTLKF-HNNXBMFYSA-N 2 1 369.510 -0.003 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433289403 483975348 /nfs/dbraw/zinc/97/53/48/483975348.db2.gz PNPOVTAQCQTLKF-OAHLLOKOSA-N 2 1 369.510 -0.003 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433289403 483975343 /nfs/dbraw/zinc/97/53/43/483975343.db2.gz PNPOVTAQCQTLKF-OAHLLOKOSA-N 2 1 369.510 -0.003 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000433290420 483974421 /nfs/dbraw/zinc/97/44/21/483974421.db2.gz SOKXLLKSUROXCC-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP C[C@H]1C[N@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000433290420 483974413 /nfs/dbraw/zinc/97/44/13/483974413.db2.gz SOKXLLKSUROXCC-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000433290421 483974806 /nfs/dbraw/zinc/97/48/06/483974806.db2.gz SOKXLLKSUROXCC-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000433290421 483974797 /nfs/dbraw/zinc/97/47/97/483974797.db2.gz SOKXLLKSUROXCC-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433383297 483976899 /nfs/dbraw/zinc/97/68/99/483976899.db2.gz HESRJGVALAEGCP-KBPBESRZSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433383301 483976985 /nfs/dbraw/zinc/97/69/85/483976985.db2.gz HESRJGVALAEGCP-KGLIPLIRSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433383303 483976007 /nfs/dbraw/zinc/97/60/07/483976007.db2.gz HESRJGVALAEGCP-UONOGXRCSA-N 2 1 363.466 -0.480 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433383305 483976477 /nfs/dbraw/zinc/97/64/77/483976477.db2.gz HESRJGVALAEGCP-ZIAGYGMSSA-N 2 1 363.466 -0.480 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469287 483979431 /nfs/dbraw/zinc/97/94/31/483979431.db2.gz VZCRQYCGFQBFJQ-AEFFLSMTSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469287 483979426 /nfs/dbraw/zinc/97/94/26/483979426.db2.gz VZCRQYCGFQBFJQ-AEFFLSMTSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469288 483979772 /nfs/dbraw/zinc/97/97/72/483979772.db2.gz VZCRQYCGFQBFJQ-FUHWJXTLSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469288 483979765 /nfs/dbraw/zinc/97/97/65/483979765.db2.gz VZCRQYCGFQBFJQ-FUHWJXTLSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469289 483979880 /nfs/dbraw/zinc/97/98/80/483979880.db2.gz VZCRQYCGFQBFJQ-SJLPKXTDSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469289 483979874 /nfs/dbraw/zinc/97/98/74/483979874.db2.gz VZCRQYCGFQBFJQ-SJLPKXTDSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469290 483979843 /nfs/dbraw/zinc/97/98/43/483979843.db2.gz VZCRQYCGFQBFJQ-WMZOPIPTSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@H]1C[N@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCO1 ZINC000433469290 483979838 /nfs/dbraw/zinc/97/98/38/483979838.db2.gz VZCRQYCGFQBFJQ-WMZOPIPTSA-N 2 1 372.510 -0.130 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000434555740 484099349 /nfs/dbraw/zinc/09/93/49/484099349.db2.gz INXSOKVTXCNFHV-HNNXBMFYSA-N 2 1 362.478 0.516 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000434555743 484101387 /nfs/dbraw/zinc/10/13/87/484101387.db2.gz INXSOKVTXCNFHV-OAHLLOKOSA-N 2 1 362.478 0.516 20 0 FBADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@@H]3CSCC[NH2+]3)cn2)CC1 ZINC000434872203 484035210 /nfs/dbraw/zinc/03/52/10/484035210.db2.gz ZTIAOAFBTUJQTE-CYBMUJFWSA-N 2 1 366.491 -0.309 20 0 FBADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@H]3CSCC[NH2+]3)cn2)CC1 ZINC000434872204 484034898 /nfs/dbraw/zinc/03/48/98/484034898.db2.gz ZTIAOAFBTUJQTE-ZDUSSCGKSA-N 2 1 366.491 -0.309 20 0 FBADMP CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617448 484056234 /nfs/dbraw/zinc/05/62/34/484056234.db2.gz NOWLFOVAYMOHFA-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617448 484056229 /nfs/dbraw/zinc/05/62/29/484056229.db2.gz NOWLFOVAYMOHFA-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617449 484057136 /nfs/dbraw/zinc/05/71/36/484057136.db2.gz NOWLFOVAYMOHFA-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617449 484057131 /nfs/dbraw/zinc/05/71/31/484057131.db2.gz NOWLFOVAYMOHFA-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436055264 484069428 /nfs/dbraw/zinc/06/94/28/484069428.db2.gz ATPJLXGAZNJVBV-CVEARBPZSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436055264 484069423 /nfs/dbraw/zinc/06/94/23/484069423.db2.gz ATPJLXGAZNJVBV-CVEARBPZSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436055265 484068772 /nfs/dbraw/zinc/06/87/72/484068772.db2.gz ATPJLXGAZNJVBV-HOTGVXAUSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436055265 484068764 /nfs/dbraw/zinc/06/87/64/484068764.db2.gz ATPJLXGAZNJVBV-HOTGVXAUSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436055267 484069122 /nfs/dbraw/zinc/06/91/22/484069122.db2.gz ATPJLXGAZNJVBV-HZPDHXFCSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436055267 484069115 /nfs/dbraw/zinc/06/91/15/484069115.db2.gz ATPJLXGAZNJVBV-HZPDHXFCSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436055269 484068654 /nfs/dbraw/zinc/06/86/54/484068654.db2.gz ATPJLXGAZNJVBV-JKSUJKDBSA-N 2 1 367.494 -0.567 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436055269 484068647 /nfs/dbraw/zinc/06/86/47/484068647.db2.gz ATPJLXGAZNJVBV-JKSUJKDBSA-N 2 1 367.494 -0.567 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057102 484069533 /nfs/dbraw/zinc/06/95/33/484069533.db2.gz UTQDKUSMSXSBME-INIZCTEOSA-N 3 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057102 484069526 /nfs/dbraw/zinc/06/95/26/484069526.db2.gz UTQDKUSMSXSBME-INIZCTEOSA-N 3 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057103 484068530 /nfs/dbraw/zinc/06/85/30/484068530.db2.gz UTQDKUSMSXSBME-MRXNPFEDSA-N 3 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057103 484068522 /nfs/dbraw/zinc/06/85/22/484068522.db2.gz UTQDKUSMSXSBME-MRXNPFEDSA-N 3 1 353.511 -0.094 20 0 FBADMP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436060612 484071042 /nfs/dbraw/zinc/07/10/42/484071042.db2.gz RNMQJVHPUGPXME-KBPBESRZSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436060612 484071034 /nfs/dbraw/zinc/07/10/34/484071034.db2.gz RNMQJVHPUGPXME-KBPBESRZSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436060613 484071130 /nfs/dbraw/zinc/07/11/30/484071130.db2.gz RNMQJVHPUGPXME-KGLIPLIRSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436060613 484071124 /nfs/dbraw/zinc/07/11/24/484071124.db2.gz RNMQJVHPUGPXME-KGLIPLIRSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436060614 484070972 /nfs/dbraw/zinc/07/09/72/484070972.db2.gz RNMQJVHPUGPXME-UONOGXRCSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436060614 484070968 /nfs/dbraw/zinc/07/09/68/484070968.db2.gz RNMQJVHPUGPXME-UONOGXRCSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436060615 484070699 /nfs/dbraw/zinc/07/06/99/484070699.db2.gz RNMQJVHPUGPXME-ZIAGYGMSSA-N 2 1 353.467 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436060615 484070692 /nfs/dbraw/zinc/07/06/92/484070692.db2.gz RNMQJVHPUGPXME-ZIAGYGMSSA-N 2 1 353.467 -0.970 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065687 484070715 /nfs/dbraw/zinc/07/07/15/484070715.db2.gz PFAIUMWGMVCQJE-CABCVRRESA-N 2 1 360.524 -0.023 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065688 484071575 /nfs/dbraw/zinc/07/15/75/484071575.db2.gz PFAIUMWGMVCQJE-GJZGRUSLSA-N 2 1 360.524 -0.023 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065689 484071072 /nfs/dbraw/zinc/07/10/72/484071072.db2.gz PFAIUMWGMVCQJE-HUUCEWRRSA-N 2 1 360.524 -0.023 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065690 484071326 /nfs/dbraw/zinc/07/13/26/484071326.db2.gz PFAIUMWGMVCQJE-LSDHHAIUSA-N 2 1 360.524 -0.023 20 0 FBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000436067292 484070263 /nfs/dbraw/zinc/07/02/63/484070263.db2.gz SNGLXDYSEBOIMY-HNNXBMFYSA-N 2 1 367.494 -0.565 20 0 FBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000436067292 484070255 /nfs/dbraw/zinc/07/02/55/484070255.db2.gz SNGLXDYSEBOIMY-HNNXBMFYSA-N 2 1 367.494 -0.565 20 0 FBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000436067297 484071152 /nfs/dbraw/zinc/07/11/52/484071152.db2.gz SNGLXDYSEBOIMY-OAHLLOKOSA-N 2 1 367.494 -0.565 20 0 FBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000436067297 484071145 /nfs/dbraw/zinc/07/11/45/484071145.db2.gz SNGLXDYSEBOIMY-OAHLLOKOSA-N 2 1 367.494 -0.565 20 0 FBADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cn2)CC1 ZINC000436314397 484075099 /nfs/dbraw/zinc/07/50/99/484075099.db2.gz NHPOHQCLQNDSEB-RDTXWAMCSA-N 2 1 360.462 -0.015 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C)C(=O)C1 ZINC000436364615 484074671 /nfs/dbraw/zinc/07/46/71/484074671.db2.gz OKOLSJFMGAVSEV-INIZCTEOSA-N 2 1 353.511 -0.365 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C)C(=O)C1 ZINC000436364616 484075301 /nfs/dbraw/zinc/07/53/01/484075301.db2.gz OKOLSJFMGAVSEV-MRXNPFEDSA-N 2 1 353.511 -0.365 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000436491934 484077401 /nfs/dbraw/zinc/07/74/01/484077401.db2.gz XRJCXUAZEQMYSH-UHFFFAOYSA-N 2 1 351.455 -0.223 20 0 FBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438442885 484468035 /nfs/dbraw/zinc/46/80/35/484468035.db2.gz DFQMIHXFCQSWPS-UHFFFAOYSA-N 2 1 361.450 0.437 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000438702847 484107052 /nfs/dbraw/zinc/10/70/52/484107052.db2.gz BWRYOIXHRDCWKV-AWEZNQCLSA-N 2 1 365.482 0.154 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000438702852 484107115 /nfs/dbraw/zinc/10/71/15/484107115.db2.gz BWRYOIXHRDCWKV-CQSZACIVSA-N 2 1 365.482 0.154 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438704550 484152911 /nfs/dbraw/zinc/15/29/11/484152911.db2.gz DARSRWOHQQHYJA-UHFFFAOYSA-N 2 1 351.455 -0.223 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n1 ZINC000438704674 484106573 /nfs/dbraw/zinc/10/65/73/484106573.db2.gz RSHXNHMKCZBKJV-INIZCTEOSA-N 2 1 354.455 -0.351 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n1 ZINC000438704675 484107016 /nfs/dbraw/zinc/10/70/16/484107016.db2.gz RSHXNHMKCZBKJV-MRXNPFEDSA-N 2 1 354.455 -0.351 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438712985 484106535 /nfs/dbraw/zinc/10/65/35/484106535.db2.gz ILYVZUYABIMXMK-UHFFFAOYSA-N 2 1 365.482 0.119 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000438714605 484107664 /nfs/dbraw/zinc/10/76/64/484107664.db2.gz UZUDERDAXGSKOM-UHFFFAOYSA-N 2 1 351.455 -0.270 20 0 FBADMP NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000438886853 484112421 /nfs/dbraw/zinc/11/24/21/484112421.db2.gz OKWGEJYYVXVLPB-HNNXBMFYSA-N 2 1 361.446 -0.669 20 0 FBADMP NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000438886854 484113161 /nfs/dbraw/zinc/11/31/61/484113161.db2.gz OKWGEJYYVXVLPB-OAHLLOKOSA-N 2 1 361.446 -0.669 20 0 FBADMP OCC[NH+]1CCCN(c2cncc(N3CCC[N@H+](CCO)CC3)n2)CC1 ZINC000439159015 484120813 /nfs/dbraw/zinc/12/08/13/484120813.db2.gz XASXQFAKZWRPRK-UHFFFAOYSA-N 2 1 364.494 -0.515 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216478 484122699 /nfs/dbraw/zinc/12/26/99/484122699.db2.gz PCHXZNAIILXDBC-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216483 484123005 /nfs/dbraw/zinc/12/30/05/484123005.db2.gz PCHXZNAIILXDBC-CQSZACIVSA-N 2 1 355.483 -0.935 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC ZINC000439838419 484138806 /nfs/dbraw/zinc/13/88/06/484138806.db2.gz BRXXTBBNJOKUAG-AWEZNQCLSA-N 2 1 363.528 -0.407 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC ZINC000439838420 484139633 /nfs/dbraw/zinc/13/96/33/484139633.db2.gz BRXXTBBNJOKUAG-CQSZACIVSA-N 2 1 363.528 -0.407 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440974483 484180657 /nfs/dbraw/zinc/18/06/57/484180657.db2.gz CBCHMWRZPFEAGC-UHFFFAOYSA-N 2 1 368.526 -0.478 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440974483 484180650 /nfs/dbraw/zinc/18/06/50/484180650.db2.gz CBCHMWRZPFEAGC-UHFFFAOYSA-N 2 1 368.526 -0.478 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440979176 484180676 /nfs/dbraw/zinc/18/06/76/484180676.db2.gz CQARZDMVDVBGEQ-INIZCTEOSA-N 2 1 354.543 -0.053 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440979177 484180388 /nfs/dbraw/zinc/18/03/88/484180388.db2.gz CQARZDMVDVBGEQ-MRXNPFEDSA-N 2 1 354.543 -0.053 20 0 FBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000440993674 484181444 /nfs/dbraw/zinc/18/14/44/484181444.db2.gz RKDVVGSQLYYQPD-HNNXBMFYSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000440993674 484181441 /nfs/dbraw/zinc/18/14/41/484181441.db2.gz RKDVVGSQLYYQPD-HNNXBMFYSA-N 2 1 368.526 -0.349 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000440993674 484181434 /nfs/dbraw/zinc/18/14/34/484181434.db2.gz RKDVVGSQLYYQPD-HNNXBMFYSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1(C)C ZINC000440993675 484182028 /nfs/dbraw/zinc/18/20/28/484182028.db2.gz RKDVVGSQLYYQPD-OAHLLOKOSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1(C)C ZINC000440993675 484182015 /nfs/dbraw/zinc/18/20/15/484182015.db2.gz RKDVVGSQLYYQPD-OAHLLOKOSA-N 2 1 368.526 -0.349 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CC1(C)C ZINC000440993675 484182009 /nfs/dbraw/zinc/18/20/09/484182009.db2.gz RKDVVGSQLYYQPD-OAHLLOKOSA-N 2 1 368.526 -0.349 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000441095102 484354157 /nfs/dbraw/zinc/35/41/57/484354157.db2.gz ZNYCEMXTVSNINZ-KBPBESRZSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000441095102 484354151 /nfs/dbraw/zinc/35/41/51/484354151.db2.gz ZNYCEMXTVSNINZ-KBPBESRZSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000441095103 484354585 /nfs/dbraw/zinc/35/45/85/484354585.db2.gz ZNYCEMXTVSNINZ-KGLIPLIRSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000441095103 484354580 /nfs/dbraw/zinc/35/45/80/484354580.db2.gz ZNYCEMXTVSNINZ-KGLIPLIRSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000441095104 484354265 /nfs/dbraw/zinc/35/42/65/484354265.db2.gz ZNYCEMXTVSNINZ-UONOGXRCSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000441095104 484354260 /nfs/dbraw/zinc/35/42/60/484354260.db2.gz ZNYCEMXTVSNINZ-UONOGXRCSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000441095105 484354751 /nfs/dbraw/zinc/35/47/51/484354751.db2.gz ZNYCEMXTVSNINZ-ZIAGYGMSSA-N 2 1 350.467 0.324 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000441095105 484354747 /nfs/dbraw/zinc/35/47/47/484354747.db2.gz ZNYCEMXTVSNINZ-ZIAGYGMSSA-N 2 1 350.467 0.324 20 0 FBADMP COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000441268542 484187991 /nfs/dbraw/zinc/18/79/91/484187991.db2.gz RIVRPFJTZOKXKL-KRWDZBQOSA-N 2 1 353.463 -0.025 20 0 FBADMP COC(=O)[C@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000441268543 484187595 /nfs/dbraw/zinc/18/75/95/484187595.db2.gz RIVRPFJTZOKXKL-QGZVFWFLSA-N 2 1 353.463 -0.025 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442370173 484223470 /nfs/dbraw/zinc/22/34/70/484223470.db2.gz NLGDPNQMGVBUTI-UHFFFAOYSA-N 2 1 368.526 -0.524 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442370173 484223464 /nfs/dbraw/zinc/22/34/64/484223464.db2.gz NLGDPNQMGVBUTI-UHFFFAOYSA-N 2 1 368.526 -0.524 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759931 484230108 /nfs/dbraw/zinc/23/01/08/484230108.db2.gz FKSBMAOPEXLFSJ-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759931 484230101 /nfs/dbraw/zinc/23/01/01/484230101.db2.gz FKSBMAOPEXLFSJ-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759933 484229211 /nfs/dbraw/zinc/22/92/11/484229211.db2.gz FKSBMAOPEXLFSJ-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759933 484229205 /nfs/dbraw/zinc/22/92/05/484229205.db2.gz FKSBMAOPEXLFSJ-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759935 484229142 /nfs/dbraw/zinc/22/91/42/484229142.db2.gz FKSBMAOPEXLFSJ-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759935 484229136 /nfs/dbraw/zinc/22/91/36/484229136.db2.gz FKSBMAOPEXLFSJ-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759937 484230195 /nfs/dbraw/zinc/23/01/95/484230195.db2.gz FKSBMAOPEXLFSJ-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000442759937 484230190 /nfs/dbraw/zinc/23/01/90/484230190.db2.gz FKSBMAOPEXLFSJ-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771837 484231668 /nfs/dbraw/zinc/23/16/68/484231668.db2.gz ULYCDMNNVIEMIS-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771837 484231663 /nfs/dbraw/zinc/23/16/63/484231663.db2.gz ULYCDMNNVIEMIS-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771838 484230907 /nfs/dbraw/zinc/23/09/07/484230907.db2.gz ULYCDMNNVIEMIS-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771838 484230897 /nfs/dbraw/zinc/23/08/97/484230897.db2.gz ULYCDMNNVIEMIS-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771839 484231328 /nfs/dbraw/zinc/23/13/28/484231328.db2.gz ULYCDMNNVIEMIS-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771839 484231322 /nfs/dbraw/zinc/23/13/22/484231322.db2.gz ULYCDMNNVIEMIS-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771840 484231681 /nfs/dbraw/zinc/23/16/81/484231681.db2.gz ULYCDMNNVIEMIS-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442771840 484231676 /nfs/dbraw/zinc/23/16/76/484231676.db2.gz ULYCDMNNVIEMIS-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783578 484231109 /nfs/dbraw/zinc/23/11/09/484231109.db2.gz UKCLJPVEXZLDRL-KBPBESRZSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783578 484231102 /nfs/dbraw/zinc/23/11/02/484231102.db2.gz UKCLJPVEXZLDRL-KBPBESRZSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783579 484230645 /nfs/dbraw/zinc/23/06/45/484230645.db2.gz UKCLJPVEXZLDRL-KGLIPLIRSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783579 484230640 /nfs/dbraw/zinc/23/06/40/484230640.db2.gz UKCLJPVEXZLDRL-KGLIPLIRSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783580 484231470 /nfs/dbraw/zinc/23/14/70/484231470.db2.gz UKCLJPVEXZLDRL-UONOGXRCSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783580 484231463 /nfs/dbraw/zinc/23/14/63/484231463.db2.gz UKCLJPVEXZLDRL-UONOGXRCSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783581 484231378 /nfs/dbraw/zinc/23/13/78/484231378.db2.gz UKCLJPVEXZLDRL-ZIAGYGMSSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000442783581 484231374 /nfs/dbraw/zinc/23/13/74/484231374.db2.gz UKCLJPVEXZLDRL-ZIAGYGMSSA-N 2 1 372.477 -0.319 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000442900281 484232642 /nfs/dbraw/zinc/23/26/42/484232642.db2.gz RNVRDZRVIHKJCB-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000442900282 484232622 /nfs/dbraw/zinc/23/26/22/484232622.db2.gz RNVRDZRVIHKJCB-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078618 484239868 /nfs/dbraw/zinc/23/98/68/484239868.db2.gz XEBHDPDXZWAWHC-CVEARBPZSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078618 484239867 /nfs/dbraw/zinc/23/98/67/484239867.db2.gz XEBHDPDXZWAWHC-CVEARBPZSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078619 484239902 /nfs/dbraw/zinc/23/99/02/484239902.db2.gz XEBHDPDXZWAWHC-HOTGVXAUSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078619 484239900 /nfs/dbraw/zinc/23/99/00/484239900.db2.gz XEBHDPDXZWAWHC-HOTGVXAUSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078620 484240272 /nfs/dbraw/zinc/24/02/72/484240272.db2.gz XEBHDPDXZWAWHC-HZPDHXFCSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078620 484240264 /nfs/dbraw/zinc/24/02/64/484240264.db2.gz XEBHDPDXZWAWHC-HZPDHXFCSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078622 484239853 /nfs/dbraw/zinc/23/98/53/484239853.db2.gz XEBHDPDXZWAWHC-JKSUJKDBSA-N 2 1 372.535 -0.622 20 0 FBADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078622 484239852 /nfs/dbraw/zinc/23/98/52/484239852.db2.gz XEBHDPDXZWAWHC-JKSUJKDBSA-N 2 1 372.535 -0.622 20 0 FBADMP C[N@H+]1CCN(CCNS(=O)(=O)CCCN2CCOCC2)CC1(C)C ZINC000443091766 484239916 /nfs/dbraw/zinc/23/99/16/484239916.db2.gz ISYATMJGXIPXGL-UHFFFAOYSA-N 2 1 362.540 -0.346 20 0 FBADMP Cc1c[nH+]c(NC[C@@](C)(O)C[NH+](C)C)nc1NC[C@](C)(O)C[NH+](C)C ZINC000443713039 484442600 /nfs/dbraw/zinc/44/26/00/484442600.db2.gz VQTJJIFVCIQZRM-DLBZAZTESA-N 3 1 354.499 0.234 20 0 FBADMP Cc1c[nH+]c(NC[C@@](C)(O)C[NH+](C)C)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000443713044 484441845 /nfs/dbraw/zinc/44/18/45/484441845.db2.gz VQTJJIFVCIQZRM-IAGOWNOFSA-N 3 1 354.499 0.234 20 0 FBADMP Cc1c[nH+]c(NC[C@](C)(O)C[NH+](C)C)nc1NC[C@](C)(O)C[NH+](C)C ZINC000443713045 484442698 /nfs/dbraw/zinc/44/26/98/484442698.db2.gz VQTJJIFVCIQZRM-IRXDYDNUSA-N 3 1 354.499 0.234 20 0 FBADMP Cc1c[nH+]c(NC[C@](C)(O)C[NH+](C)C)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000443713047 484442228 /nfs/dbraw/zinc/44/22/28/484442228.db2.gz VQTJJIFVCIQZRM-SJORKVTESA-N 3 1 354.499 0.234 20 0 FBADMP C[C@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC1 ZINC000444184527 484281173 /nfs/dbraw/zinc/28/11/73/484281173.db2.gz OKUONJPZHHPWIJ-HOTGVXAUSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000444184529 484280855 /nfs/dbraw/zinc/28/08/55/484280855.db2.gz OKUONJPZHHPWIJ-HZPDHXFCSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000444184531 484281368 /nfs/dbraw/zinc/28/13/68/484281368.db2.gz OKUONJPZHHPWIJ-IYBDPMFKSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC1 ZINC000444184531 484281361 /nfs/dbraw/zinc/28/13/61/484281361.db2.gz OKUONJPZHHPWIJ-IYBDPMFKSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@@H](O)CC[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)CC[C@H](C)O)CC1 ZINC000444184531 484281357 /nfs/dbraw/zinc/28/13/57/484281357.db2.gz OKUONJPZHHPWIJ-IYBDPMFKSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000444309689 484285714 /nfs/dbraw/zinc/28/57/14/484285714.db2.gz OXMXPGXUCWADAD-CABCVRRESA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000444309689 484285704 /nfs/dbraw/zinc/28/57/04/484285704.db2.gz OXMXPGXUCWADAD-CABCVRRESA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000444309689 484285698 /nfs/dbraw/zinc/28/56/98/484285698.db2.gz OXMXPGXUCWADAD-CABCVRRESA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000444309692 484285377 /nfs/dbraw/zinc/28/53/77/484285377.db2.gz OXMXPGXUCWADAD-GJZGRUSLSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000444309692 484285373 /nfs/dbraw/zinc/28/53/73/484285373.db2.gz OXMXPGXUCWADAD-GJZGRUSLSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000444309692 484285371 /nfs/dbraw/zinc/28/53/71/484285371.db2.gz OXMXPGXUCWADAD-GJZGRUSLSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000444309695 484285576 /nfs/dbraw/zinc/28/55/76/484285576.db2.gz OXMXPGXUCWADAD-HUUCEWRRSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000444309695 484285569 /nfs/dbraw/zinc/28/55/69/484285569.db2.gz OXMXPGXUCWADAD-HUUCEWRRSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000444309695 484285565 /nfs/dbraw/zinc/28/55/65/484285565.db2.gz OXMXPGXUCWADAD-HUUCEWRRSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000444309698 484286136 /nfs/dbraw/zinc/28/61/36/484286136.db2.gz OXMXPGXUCWADAD-LSDHHAIUSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000444309698 484286131 /nfs/dbraw/zinc/28/61/31/484286131.db2.gz OXMXPGXUCWADAD-LSDHHAIUSA-N 2 1 369.510 -0.187 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000444309698 484286126 /nfs/dbraw/zinc/28/61/26/484286126.db2.gz OXMXPGXUCWADAD-LSDHHAIUSA-N 2 1 369.510 -0.187 20 0 FBADMP C[NH+](CCOCC[N@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000444752096 484297646 /nfs/dbraw/zinc/29/76/46/484297646.db2.gz HHUYYMDLHPGTQV-UHFFFAOYSA-N 2 1 360.495 -0.050 20 0 FBADMP OCC[NH+](CC1(C[N@H+](CCO)C2CCOCC2)COC1)C1CCOCC1 ZINC000444759143 484296387 /nfs/dbraw/zinc/29/63/87/484296387.db2.gz FIUZDVVQCLDADN-UHFFFAOYSA-N 2 1 372.506 -0.050 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCO)C2CCOCC2)C1 ZINC000444769088 484298330 /nfs/dbraw/zinc/29/83/30/484298330.db2.gz HHFJJEXFFXVFNR-KRWDZBQOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCO)C2CCOCC2)C1 ZINC000444769088 484298325 /nfs/dbraw/zinc/29/83/25/484298325.db2.gz HHFJJEXFFXVFNR-KRWDZBQOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)C2CCOCC2)C1 ZINC000444769088 484298318 /nfs/dbraw/zinc/29/83/18/484298318.db2.gz HHFJJEXFFXVFNR-KRWDZBQOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)C2CCOCC2)C1 ZINC000444769089 484299566 /nfs/dbraw/zinc/29/95/66/484299566.db2.gz HHFJJEXFFXVFNR-QGZVFWFLSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)C2CCOCC2)C1 ZINC000444769089 484299563 /nfs/dbraw/zinc/29/95/63/484299563.db2.gz HHFJJEXFFXVFNR-QGZVFWFLSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)C2CCOCC2)C1 ZINC000444769089 484299559 /nfs/dbraw/zinc/29/95/59/484299559.db2.gz HHFJJEXFFXVFNR-QGZVFWFLSA-N 2 1 357.495 -0.067 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000446191711 484256382 /nfs/dbraw/zinc/25/63/82/484256382.db2.gz KJGKISHSNFKWLX-UHFFFAOYSA-N 2 1 366.466 0.059 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000446366913 484319118 /nfs/dbraw/zinc/31/91/18/484319118.db2.gz OZIUNFNNGKEDLC-FLTUCWPJSA-N 2 1 352.479 -0.025 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000446366914 484318246 /nfs/dbraw/zinc/31/82/46/484318246.db2.gz OZIUNFNNGKEDLC-HNSFDTNUSA-N 2 1 352.479 -0.025 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000446366915 484319252 /nfs/dbraw/zinc/31/92/52/484319252.db2.gz OZIUNFNNGKEDLC-LWGWVAHUSA-N 2 1 352.479 -0.025 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000446366916 484318718 /nfs/dbraw/zinc/31/87/18/484318718.db2.gz OZIUNFNNGKEDLC-UYAYXHRUSA-N 2 1 352.479 -0.025 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446541708 484323548 /nfs/dbraw/zinc/32/35/48/484323548.db2.gz UDZFMRRLZRTGPC-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446541708 484323545 /nfs/dbraw/zinc/32/35/45/484323545.db2.gz UDZFMRRLZRTGPC-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446541709 484323477 /nfs/dbraw/zinc/32/34/77/484323477.db2.gz UDZFMRRLZRTGPC-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446541709 484323470 /nfs/dbraw/zinc/32/34/70/484323470.db2.gz UDZFMRRLZRTGPC-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000446600415 484322973 /nfs/dbraw/zinc/32/29/73/484322973.db2.gz KGXDYMHKWIFUFA-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000446689228 484325141 /nfs/dbraw/zinc/32/51/41/484325141.db2.gz SVCJQKYUDQIIOX-HNNXBMFYSA-N 2 1 355.483 -0.405 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000446689234 484325195 /nfs/dbraw/zinc/32/51/95/484325195.db2.gz SVCJQKYUDQIIOX-OAHLLOKOSA-N 2 1 355.483 -0.405 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446778576 484321470 /nfs/dbraw/zinc/32/14/70/484321470.db2.gz XMDCKMZYXVBFHT-AWEZNQCLSA-N 2 1 366.466 -0.390 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446778578 484321562 /nfs/dbraw/zinc/32/15/62/484321562.db2.gz XMDCKMZYXVBFHT-CQSZACIVSA-N 2 1 366.466 -0.390 20 0 FBADMP O=C1C[C@]2(CN1)CCC[NH+](CC(O)C[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295449 484342662 /nfs/dbraw/zinc/34/26/62/484342662.db2.gz KTGBECQQYWPAMH-OALUTQOASA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@]2(CN1)CCC[NH+](CC(O)C[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295449 484342655 /nfs/dbraw/zinc/34/26/55/484342655.db2.gz KTGBECQQYWPAMH-OALUTQOASA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[N@H+](C[C@@H](O)C[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295452 484342417 /nfs/dbraw/zinc/34/24/17/484342417.db2.gz KTGBECQQYWPAMH-OHFIKTQHSA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295452 484342415 /nfs/dbraw/zinc/34/24/15/484342415.db2.gz KTGBECQQYWPAMH-OHFIKTQHSA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[NH+](C[C@@H](O)C[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295452 484342413 /nfs/dbraw/zinc/34/24/13/484342413.db2.gz KTGBECQQYWPAMH-OHFIKTQHSA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000447295452 484342412 /nfs/dbraw/zinc/34/24/12/484342412.db2.gz KTGBECQQYWPAMH-OHFIKTQHSA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[NH+](CC(O)C[N@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000447295454 484342432 /nfs/dbraw/zinc/34/24/32/484342432.db2.gz KTGBECQQYWPAMH-RTBURBONSA-N 2 1 364.490 -0.449 20 0 FBADMP O=C1C[C@@]2(CN1)CCC[NH+](CC(O)C[N@@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000447295454 484342428 /nfs/dbraw/zinc/34/24/28/484342428.db2.gz KTGBECQQYWPAMH-RTBURBONSA-N 2 1 364.490 -0.449 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)CC1 ZINC000447397313 484344534 /nfs/dbraw/zinc/34/45/34/484344534.db2.gz ZFUCMPRCRWJZJY-DOTOQJQBSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)CC1 ZINC000447397313 484344529 /nfs/dbraw/zinc/34/45/29/484344529.db2.gz ZFUCMPRCRWJZJY-DOTOQJQBSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)CC1 ZINC000447397314 484343630 /nfs/dbraw/zinc/34/36/30/484343630.db2.gz ZFUCMPRCRWJZJY-NVXWUHKLSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)CC1 ZINC000447397314 484343624 /nfs/dbraw/zinc/34/36/24/484343624.db2.gz ZFUCMPRCRWJZJY-NVXWUHKLSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000447397315 484343897 /nfs/dbraw/zinc/34/38/97/484343897.db2.gz ZFUCMPRCRWJZJY-RDJZCZTQSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000447397315 484343889 /nfs/dbraw/zinc/34/38/89/484343889.db2.gz ZFUCMPRCRWJZJY-RDJZCZTQSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000447397316 484344931 /nfs/dbraw/zinc/34/49/31/484344931.db2.gz ZFUCMPRCRWJZJY-WBVHZDCISA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000447397316 484344924 /nfs/dbraw/zinc/34/49/24/484344924.db2.gz ZFUCMPRCRWJZJY-WBVHZDCISA-N 2 1 357.495 -0.067 20 0 FBADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447660515 484349140 /nfs/dbraw/zinc/34/91/40/484349140.db2.gz SGNZNKBEMMAFIQ-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447660515 484349129 /nfs/dbraw/zinc/34/91/29/484349129.db2.gz SGNZNKBEMMAFIQ-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447660516 484348662 /nfs/dbraw/zinc/34/86/62/484348662.db2.gz SGNZNKBEMMAFIQ-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447660516 484348652 /nfs/dbraw/zinc/34/86/52/484348652.db2.gz SGNZNKBEMMAFIQ-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448499815 484304660 /nfs/dbraw/zinc/30/46/60/484304660.db2.gz VHUADDNDGUFGFQ-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448499816 484304199 /nfs/dbraw/zinc/30/41/99/484304199.db2.gz VHUADDNDGUFGFQ-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O ZINC000449710686 484367251 /nfs/dbraw/zinc/36/72/51/484367251.db2.gz MXVMCCAJKYBHIT-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O ZINC000449710687 484366990 /nfs/dbraw/zinc/36/69/90/484366990.db2.gz MXVMCCAJKYBHIT-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O ZINC000449710688 484367770 /nfs/dbraw/zinc/36/77/70/484367770.db2.gz MXVMCCAJKYBHIT-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O ZINC000449710689 484367469 /nfs/dbraw/zinc/36/74/69/484367469.db2.gz MXVMCCAJKYBHIT-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP CNc1nc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000450781788 484374413 /nfs/dbraw/zinc/37/44/13/484374413.db2.gz UTODRCNOKXPDSB-BYNSBNAKSA-N 2 1 358.494 -0.384 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1c1cc(N2CC[N@H+](CCO)C[C@@H]2C)ncn1 ZINC000450952547 484377913 /nfs/dbraw/zinc/37/79/13/484377913.db2.gz IIZRCDHSJFELDH-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1c1cc(N2CC[N@H+](CCO)C[C@H]2C)ncn1 ZINC000450952548 484378803 /nfs/dbraw/zinc/37/88/03/484378803.db2.gz IIZRCDHSJFELDH-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1c1cncc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450953486 484378591 /nfs/dbraw/zinc/37/85/91/484378591.db2.gz LGHNZYOBUOZTGO-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1c1cncc(N2CC[N@H+](CCO)C[C@H]2C)n1 ZINC000450953487 484378673 /nfs/dbraw/zinc/37/86/73/484378673.db2.gz LGHNZYOBUOZTGO-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C2CC2)C1 ZINC000453767178 484491820 /nfs/dbraw/zinc/49/18/20/484491820.db2.gz IUEUYZQGRBBCNT-AWEZNQCLSA-N 2 1 362.478 0.326 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C2CC2)C1 ZINC000453767199 484155727 /nfs/dbraw/zinc/15/57/27/484155727.db2.gz IUEUYZQGRBBCNT-CQSZACIVSA-N 2 1 362.478 0.326 20 0 FBADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000453960762 484450074 /nfs/dbraw/zinc/45/00/74/484450074.db2.gz GJNULMLPNUWCAB-AWEZNQCLSA-N 2 1 350.467 0.326 20 0 FBADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000453960762 484450068 /nfs/dbraw/zinc/45/00/68/484450068.db2.gz GJNULMLPNUWCAB-AWEZNQCLSA-N 2 1 350.467 0.326 20 0 FBADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000453960766 484442527 /nfs/dbraw/zinc/44/25/27/484442527.db2.gz GJNULMLPNUWCAB-CQSZACIVSA-N 2 1 350.467 0.326 20 0 FBADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000453960766 484442522 /nfs/dbraw/zinc/44/25/22/484442522.db2.gz GJNULMLPNUWCAB-CQSZACIVSA-N 2 1 350.467 0.326 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000453997493 484445431 /nfs/dbraw/zinc/44/54/31/484445431.db2.gz NQGJJSMPUNACMQ-AWEZNQCLSA-N 2 1 350.467 0.326 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000453997494 484434468 /nfs/dbraw/zinc/43/44/68/484434468.db2.gz NQGJJSMPUNACMQ-CQSZACIVSA-N 2 1 350.467 0.326 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)n1 ZINC000454069741 484099990 /nfs/dbraw/zinc/09/99/90/484099990.db2.gz NQRXJBFZUXVMQV-UHFFFAOYSA-N 2 1 350.467 0.374 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590660 484452659 /nfs/dbraw/zinc/45/26/59/484452659.db2.gz TUFLBTUDOYDFDQ-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590662 484452210 /nfs/dbraw/zinc/45/22/10/484452210.db2.gz TUFLBTUDOYDFDQ-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590663 484452493 /nfs/dbraw/zinc/45/24/93/484452493.db2.gz TUFLBTUDOYDFDQ-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590665 484452612 /nfs/dbraw/zinc/45/26/12/484452612.db2.gz TUFLBTUDOYDFDQ-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904192 484453522 /nfs/dbraw/zinc/45/35/22/484453522.db2.gz SDAPEIATBCCUOE-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904194 484454129 /nfs/dbraw/zinc/45/41/29/484454129.db2.gz SDAPEIATBCCUOE-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457662639 484462489 /nfs/dbraw/zinc/46/24/89/484462489.db2.gz ICWKTSFAKHTNLH-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457662639 484462485 /nfs/dbraw/zinc/46/24/85/484462485.db2.gz ICWKTSFAKHTNLH-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457662643 484462592 /nfs/dbraw/zinc/46/25/92/484462592.db2.gz ICWKTSFAKHTNLH-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457662643 484462590 /nfs/dbraw/zinc/46/25/90/484462590.db2.gz ICWKTSFAKHTNLH-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457665576 484462509 /nfs/dbraw/zinc/46/25/09/484462509.db2.gz JYAUVGNUANBQDL-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457665576 484462506 /nfs/dbraw/zinc/46/25/06/484462506.db2.gz JYAUVGNUANBQDL-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457665577 484462205 /nfs/dbraw/zinc/46/22/05/484462205.db2.gz JYAUVGNUANBQDL-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457665577 484462199 /nfs/dbraw/zinc/46/21/99/484462199.db2.gz JYAUVGNUANBQDL-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000457672485 484461764 /nfs/dbraw/zinc/46/17/64/484461764.db2.gz OWUMPIVBOLDANB-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457672485 484461759 /nfs/dbraw/zinc/46/17/59/484461759.db2.gz OWUMPIVBOLDANB-HNNXBMFYSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000457672486 484462560 /nfs/dbraw/zinc/46/25/60/484462560.db2.gz OWUMPIVBOLDANB-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457672486 484462558 /nfs/dbraw/zinc/46/25/58/484462558.db2.gz OWUMPIVBOLDANB-OAHLLOKOSA-N 2 1 355.483 -0.704 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458191538 484472233 /nfs/dbraw/zinc/47/22/33/484472233.db2.gz DETIJYQCNCJOMU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458191538 484472227 /nfs/dbraw/zinc/47/22/27/484472227.db2.gz DETIJYQCNCJOMU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000458191538 484472224 /nfs/dbraw/zinc/47/22/24/484472224.db2.gz DETIJYQCNCJOMU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000458191538 484472216 /nfs/dbraw/zinc/47/22/16/484472216.db2.gz DETIJYQCNCJOMU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458191539 484473255 /nfs/dbraw/zinc/47/32/55/484473255.db2.gz DETIJYQCNCJOMU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458191539 484473252 /nfs/dbraw/zinc/47/32/52/484473252.db2.gz DETIJYQCNCJOMU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000458191539 484473248 /nfs/dbraw/zinc/47/32/48/484473248.db2.gz DETIJYQCNCJOMU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000458191539 484473244 /nfs/dbraw/zinc/47/32/44/484473244.db2.gz DETIJYQCNCJOMU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191540 484473045 /nfs/dbraw/zinc/47/30/45/484473045.db2.gz DETIJYQCNCJOMU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191540 484473040 /nfs/dbraw/zinc/47/30/40/484473040.db2.gz DETIJYQCNCJOMU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191540 484473036 /nfs/dbraw/zinc/47/30/36/484473036.db2.gz DETIJYQCNCJOMU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191540 484473032 /nfs/dbraw/zinc/47/30/32/484473032.db2.gz DETIJYQCNCJOMU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191541 484473334 /nfs/dbraw/zinc/47/33/34/484473334.db2.gz DETIJYQCNCJOMU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191541 484473329 /nfs/dbraw/zinc/47/33/29/484473329.db2.gz DETIJYQCNCJOMU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191541 484473325 /nfs/dbraw/zinc/47/33/25/484473325.db2.gz DETIJYQCNCJOMU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000458191541 484473321 /nfs/dbraw/zinc/47/33/21/484473321.db2.gz DETIJYQCNCJOMU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458432312 484477365 /nfs/dbraw/zinc/47/73/65/484477365.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458432312 484477359 /nfs/dbraw/zinc/47/73/59/484477359.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458432312 484477352 /nfs/dbraw/zinc/47/73/52/484477352.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458432325 484478038 /nfs/dbraw/zinc/47/80/38/484478038.db2.gz QALMBOLJBHRYHN-HOTGVXAUSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458432325 484478031 /nfs/dbraw/zinc/47/80/31/484478031.db2.gz QALMBOLJBHRYHN-HOTGVXAUSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458432325 484478026 /nfs/dbraw/zinc/47/80/26/484478026.db2.gz QALMBOLJBHRYHN-HOTGVXAUSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458432327 484478104 /nfs/dbraw/zinc/47/81/04/484478104.db2.gz QALMBOLJBHRYHN-HZPDHXFCSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458432327 484478100 /nfs/dbraw/zinc/47/81/00/484478100.db2.gz QALMBOLJBHRYHN-HZPDHXFCSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458432327 484478097 /nfs/dbraw/zinc/47/80/97/484478097.db2.gz QALMBOLJBHRYHN-HZPDHXFCSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458432331 484477890 /nfs/dbraw/zinc/47/78/90/484477890.db2.gz QALMBOLJBHRYHN-JKSUJKDBSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458432331 484477886 /nfs/dbraw/zinc/47/78/86/484477886.db2.gz QALMBOLJBHRYHN-JKSUJKDBSA-N 2 1 369.510 -0.280 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458432331 484477882 /nfs/dbraw/zinc/47/78/82/484477882.db2.gz QALMBOLJBHRYHN-JKSUJKDBSA-N 2 1 369.510 -0.280 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)[NH+]1CCO ZINC000458449845 484477797 /nfs/dbraw/zinc/47/77/97/484477797.db2.gz YXGLDNUIOATVBW-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)[NH+]1CCO ZINC000458449845 484477794 /nfs/dbraw/zinc/47/77/94/484477794.db2.gz YXGLDNUIOATVBW-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000458449845 484477791 /nfs/dbraw/zinc/47/77/91/484477791.db2.gz YXGLDNUIOATVBW-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)[NH+]1CCO ZINC000458449846 484477294 /nfs/dbraw/zinc/47/72/94/484477294.db2.gz YXGLDNUIOATVBW-XHSDSOJGSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)[NH+]1CCO ZINC000458449846 484477291 /nfs/dbraw/zinc/47/72/91/484477291.db2.gz YXGLDNUIOATVBW-XHSDSOJGSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000458449846 484477286 /nfs/dbraw/zinc/47/72/86/484477286.db2.gz YXGLDNUIOATVBW-XHSDSOJGSA-N 2 1 369.510 -0.330 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458851066 484481747 /nfs/dbraw/zinc/48/17/47/484481747.db2.gz UTAMVTDHGIKIGQ-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP C[C@@H]1CN(S(=O)(=O)N2CCN(CCc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000459319606 484488230 /nfs/dbraw/zinc/48/82/30/484488230.db2.gz XJSBNVAWNWCFMW-GASCZTMLSA-N 2 1 371.507 -0.066 20 0 FBADMP C[C@H]1CN(S(=O)(=O)N2CCN(CCc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000459319609 484487680 /nfs/dbraw/zinc/48/76/80/484487680.db2.gz XJSBNVAWNWCFMW-GJZGRUSLSA-N 2 1 371.507 -0.066 20 0 FBADMP C[C@@H]1CN(S(=O)(=O)N2CCN(CCc3c[nH+]cn3C)CC2)C[C@@H](C)O1 ZINC000459319610 484487506 /nfs/dbraw/zinc/48/75/06/484487506.db2.gz XJSBNVAWNWCFMW-HUUCEWRRSA-N 2 1 371.507 -0.066 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000459857636 484500355 /nfs/dbraw/zinc/50/03/55/484500355.db2.gz CKZSBTOOTCKVCG-UHFFFAOYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000459857636 484500351 /nfs/dbraw/zinc/50/03/51/484500351.db2.gz CKZSBTOOTCKVCG-UHFFFAOYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000459899382 484507598 /nfs/dbraw/zinc/50/75/98/484507598.db2.gz HPZFQEHAVOHUIM-CVEARBPZSA-N 2 1 356.511 -0.054 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000459899385 484507448 /nfs/dbraw/zinc/50/74/48/484507448.db2.gz HPZFQEHAVOHUIM-HOTGVXAUSA-N 2 1 356.511 -0.054 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000459899390 484507230 /nfs/dbraw/zinc/50/72/30/484507230.db2.gz HPZFQEHAVOHUIM-HZPDHXFCSA-N 2 1 356.511 -0.054 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000459899392 484507350 /nfs/dbraw/zinc/50/73/50/484507350.db2.gz HPZFQEHAVOHUIM-JKSUJKDBSA-N 2 1 356.511 -0.054 20 0 FBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000459902568 484508321 /nfs/dbraw/zinc/50/83/21/484508321.db2.gz VSYJRYUIDQHDHB-SJPCQFCGSA-N 2 1 365.522 -0.224 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000459903965 484508483 /nfs/dbraw/zinc/50/84/83/484508483.db2.gz LWPQPVCWKZCIMZ-UHFFFAOYSA-N 2 1 356.511 -0.052 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000459907870 484508226 /nfs/dbraw/zinc/50/82/26/484508226.db2.gz PVPXZNXCVBQSDW-UHFFFAOYSA-N 2 1 356.511 -0.052 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000459914663 484509740 /nfs/dbraw/zinc/50/97/40/484509740.db2.gz AAKUSKXPEUKQRY-UHFFFAOYSA-N 2 1 355.527 -0.118 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000459914663 484509738 /nfs/dbraw/zinc/50/97/38/484509738.db2.gz AAKUSKXPEUKQRY-UHFFFAOYSA-N 2 1 355.527 -0.118 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000459914663 484509731 /nfs/dbraw/zinc/50/97/31/484509731.db2.gz AAKUSKXPEUKQRY-UHFFFAOYSA-N 2 1 355.527 -0.118 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000459914663 484509726 /nfs/dbraw/zinc/50/97/26/484509726.db2.gz AAKUSKXPEUKQRY-UHFFFAOYSA-N 2 1 355.527 -0.118 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC1 ZINC000459914663 484509719 /nfs/dbraw/zinc/50/97/19/484509719.db2.gz AAKUSKXPEUKQRY-UHFFFAOYSA-N 2 1 355.527 -0.118 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000459916738 484510939 /nfs/dbraw/zinc/51/09/39/484510939.db2.gz ILXIBNBQGFWCGV-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000459916738 484510936 /nfs/dbraw/zinc/51/09/36/484510936.db2.gz ILXIBNBQGFWCGV-ARFHVFGLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000459916740 484511028 /nfs/dbraw/zinc/51/10/28/484511028.db2.gz ILXIBNBQGFWCGV-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000459916740 484511026 /nfs/dbraw/zinc/51/10/26/484511026.db2.gz ILXIBNBQGFWCGV-BZUAXINKSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000459916741 484510914 /nfs/dbraw/zinc/51/09/14/484510914.db2.gz ILXIBNBQGFWCGV-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000459916741 484510911 /nfs/dbraw/zinc/51/09/11/484510911.db2.gz ILXIBNBQGFWCGV-HRCADAONSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000459916742 484510555 /nfs/dbraw/zinc/51/05/55/484510555.db2.gz ILXIBNBQGFWCGV-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000459916742 484510550 /nfs/dbraw/zinc/51/05/50/484510550.db2.gz ILXIBNBQGFWCGV-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1C[C@@H](C)O ZINC000459917557 484510965 /nfs/dbraw/zinc/51/09/65/484510965.db2.gz HIIJGOQKUHIZSA-CVEARBPZSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1C[C@@H](C)O ZINC000459917557 484510963 /nfs/dbraw/zinc/51/09/63/484510963.db2.gz HIIJGOQKUHIZSA-CVEARBPZSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000459917557 484510960 /nfs/dbraw/zinc/51/09/60/484510960.db2.gz HIIJGOQKUHIZSA-CVEARBPZSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000459917557 484510958 /nfs/dbraw/zinc/51/09/58/484510958.db2.gz HIIJGOQKUHIZSA-CVEARBPZSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1C[C@H](C)O ZINC000459917559 484510530 /nfs/dbraw/zinc/51/05/30/484510530.db2.gz HIIJGOQKUHIZSA-HOTGVXAUSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1C[C@H](C)O ZINC000459917559 484510526 /nfs/dbraw/zinc/51/05/26/484510526.db2.gz HIIJGOQKUHIZSA-HOTGVXAUSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000459917559 484510523 /nfs/dbraw/zinc/51/05/23/484510523.db2.gz HIIJGOQKUHIZSA-HOTGVXAUSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000459917559 484510521 /nfs/dbraw/zinc/51/05/21/484510521.db2.gz HIIJGOQKUHIZSA-HOTGVXAUSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1C[C@@H](C)O ZINC000459917561 484510888 /nfs/dbraw/zinc/51/08/88/484510888.db2.gz HIIJGOQKUHIZSA-HZPDHXFCSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1C[C@@H](C)O ZINC000459917561 484510886 /nfs/dbraw/zinc/51/08/86/484510886.db2.gz HIIJGOQKUHIZSA-HZPDHXFCSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000459917561 484510881 /nfs/dbraw/zinc/51/08/81/484510881.db2.gz HIIJGOQKUHIZSA-HZPDHXFCSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000459917561 484510876 /nfs/dbraw/zinc/51/08/76/484510876.db2.gz HIIJGOQKUHIZSA-HZPDHXFCSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1C[C@H](C)O ZINC000459917563 484510603 /nfs/dbraw/zinc/51/06/03/484510603.db2.gz HIIJGOQKUHIZSA-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1C[C@H](C)O ZINC000459917563 484510601 /nfs/dbraw/zinc/51/06/01/484510601.db2.gz HIIJGOQKUHIZSA-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000459917563 484510598 /nfs/dbraw/zinc/51/05/98/484510598.db2.gz HIIJGOQKUHIZSA-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000459917563 484510593 /nfs/dbraw/zinc/51/05/93/484510593.db2.gz HIIJGOQKUHIZSA-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459918664 484510726 /nfs/dbraw/zinc/51/07/26/484510726.db2.gz SAUUWUFOQDTEII-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000459918833 484510440 /nfs/dbraw/zinc/51/04/40/484510440.db2.gz LLLWXBXIMOYNMW-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000459918835 484510997 /nfs/dbraw/zinc/51/09/97/484510997.db2.gz LLLWXBXIMOYNMW-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000459920587 484510627 /nfs/dbraw/zinc/51/06/27/484510627.db2.gz NNRRLYRFUACTPD-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000459920587 484510623 /nfs/dbraw/zinc/51/06/23/484510623.db2.gz NNRRLYRFUACTPD-OWCLPIDISA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000459920589 484510925 /nfs/dbraw/zinc/51/09/25/484510925.db2.gz NNRRLYRFUACTPD-XHSDSOJGSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000459920589 484510922 /nfs/dbraw/zinc/51/09/22/484510922.db2.gz NNRRLYRFUACTPD-XHSDSOJGSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459927627 484512868 /nfs/dbraw/zinc/51/28/68/484512868.db2.gz AIDZWDZWTFNKJS-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459927627 484512864 /nfs/dbraw/zinc/51/28/64/484512864.db2.gz AIDZWDZWTFNKJS-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459927629 484512751 /nfs/dbraw/zinc/51/27/51/484512751.db2.gz AIDZWDZWTFNKJS-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459927629 484512750 /nfs/dbraw/zinc/51/27/50/484512750.db2.gz AIDZWDZWTFNKJS-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459927630 484512890 /nfs/dbraw/zinc/51/28/90/484512890.db2.gz AIDZWDZWTFNKJS-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459927630 484512884 /nfs/dbraw/zinc/51/28/84/484512884.db2.gz AIDZWDZWTFNKJS-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459927631 484512990 /nfs/dbraw/zinc/51/29/90/484512990.db2.gz AIDZWDZWTFNKJS-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459927631 484512986 /nfs/dbraw/zinc/51/29/86/484512986.db2.gz AIDZWDZWTFNKJS-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[N@@H+]1CCOC ZINC000459928757 484512775 /nfs/dbraw/zinc/51/27/75/484512775.db2.gz CLBXNPNOQHFLAG-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[N@@H+]1CCOC ZINC000459928758 484513145 /nfs/dbraw/zinc/51/31/45/484513145.db2.gz CLBXNPNOQHFLAG-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459931374 484514196 /nfs/dbraw/zinc/51/41/96/484514196.db2.gz IYZBGFCBDJORTN-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459935331 484514224 /nfs/dbraw/zinc/51/42/24/484514224.db2.gz POIQQSTXWLJRCS-KRWDZBQOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459935333 484514014 /nfs/dbraw/zinc/51/40/14/484514014.db2.gz POIQQSTXWLJRCS-QGZVFWFLSA-N 2 1 366.506 -0.012 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000459935416 484513834 /nfs/dbraw/zinc/51/38/34/484513834.db2.gz QFVLKRZBMNJMPE-IYBDPMFKSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000459935416 484513829 /nfs/dbraw/zinc/51/38/29/484513829.db2.gz QFVLKRZBMNJMPE-IYBDPMFKSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459981659 484518414 /nfs/dbraw/zinc/51/84/14/484518414.db2.gz CAEJLYOAACYOPB-HRCADAONSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459981659 484518412 /nfs/dbraw/zinc/51/84/12/484518412.db2.gz CAEJLYOAACYOPB-HRCADAONSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000459981659 484518408 /nfs/dbraw/zinc/51/84/08/484518408.db2.gz CAEJLYOAACYOPB-HRCADAONSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459981659 484518405 /nfs/dbraw/zinc/51/84/05/484518405.db2.gz CAEJLYOAACYOPB-HRCADAONSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459981661 484518487 /nfs/dbraw/zinc/51/84/87/484518487.db2.gz CAEJLYOAACYOPB-JYJNAYRXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459981661 484518486 /nfs/dbraw/zinc/51/84/86/484518486.db2.gz CAEJLYOAACYOPB-JYJNAYRXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000459981661 484518482 /nfs/dbraw/zinc/51/84/82/484518482.db2.gz CAEJLYOAACYOPB-JYJNAYRXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459981661 484518481 /nfs/dbraw/zinc/51/84/81/484518481.db2.gz CAEJLYOAACYOPB-JYJNAYRXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459981662 484518115 /nfs/dbraw/zinc/51/81/15/484518115.db2.gz CAEJLYOAACYOPB-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459981662 484518110 /nfs/dbraw/zinc/51/81/10/484518110.db2.gz CAEJLYOAACYOPB-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459981662 484518102 /nfs/dbraw/zinc/51/81/02/484518102.db2.gz CAEJLYOAACYOPB-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459981662 484518098 /nfs/dbraw/zinc/51/80/98/484518098.db2.gz CAEJLYOAACYOPB-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459981663 484518524 /nfs/dbraw/zinc/51/85/24/484518524.db2.gz CAEJLYOAACYOPB-PMPSAXMXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459981663 484518520 /nfs/dbraw/zinc/51/85/20/484518520.db2.gz CAEJLYOAACYOPB-PMPSAXMXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459981663 484518513 /nfs/dbraw/zinc/51/85/13/484518513.db2.gz CAEJLYOAACYOPB-PMPSAXMXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459981663 484518511 /nfs/dbraw/zinc/51/85/11/484518511.db2.gz CAEJLYOAACYOPB-PMPSAXMXSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000459982113 484517993 /nfs/dbraw/zinc/51/79/93/484517993.db2.gz CSROVOOAXXIHFW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000459982113 484517988 /nfs/dbraw/zinc/51/79/88/484517988.db2.gz CSROVOOAXXIHFW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1CCO ZINC000459982113 484517979 /nfs/dbraw/zinc/51/79/79/484517979.db2.gz CSROVOOAXXIHFW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)N1CCO ZINC000459982113 484517973 /nfs/dbraw/zinc/51/79/73/484517973.db2.gz CSROVOOAXXIHFW-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000459982115 484518475 /nfs/dbraw/zinc/51/84/75/484518475.db2.gz CSROVOOAXXIHFW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000459982115 484518473 /nfs/dbraw/zinc/51/84/73/484518473.db2.gz CSROVOOAXXIHFW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1CCO ZINC000459982115 484518470 /nfs/dbraw/zinc/51/84/70/484518470.db2.gz CSROVOOAXXIHFW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)N1CCO ZINC000459982115 484518468 /nfs/dbraw/zinc/51/84/68/484518468.db2.gz CSROVOOAXXIHFW-XHSDSOJGSA-N 2 1 354.495 -0.300 20 0 FBADMP COCCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459983187 484518424 /nfs/dbraw/zinc/51/84/24/484518424.db2.gz GBSDGRQNNSHOTO-CVEARBPZSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459983189 484518181 /nfs/dbraw/zinc/51/81/81/484518181.db2.gz GBSDGRQNNSHOTO-HOTGVXAUSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459983191 484518454 /nfs/dbraw/zinc/51/84/54/484518454.db2.gz GBSDGRQNNSHOTO-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459983192 484518254 /nfs/dbraw/zinc/51/82/54/484518254.db2.gz GBSDGRQNNSHOTO-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](CO)O1 ZINC000459983650 484517841 /nfs/dbraw/zinc/51/78/41/484517841.db2.gz APSIAWBGZHDECI-GDBMZVCRSA-N 2 1 370.494 -0.921 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](CO)O1 ZINC000459983656 484518383 /nfs/dbraw/zinc/51/83/83/484518383.db2.gz APSIAWBGZHDECI-GOEBONIOSA-N 2 1 370.494 -0.921 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](CO)O1 ZINC000459983658 484518009 /nfs/dbraw/zinc/51/80/09/484518009.db2.gz APSIAWBGZHDECI-HOCLYGCPSA-N 2 1 370.494 -0.921 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](CO)O1 ZINC000459983660 484518437 /nfs/dbraw/zinc/51/84/37/484518437.db2.gz APSIAWBGZHDECI-ZBFHGGJFSA-N 2 1 370.494 -0.921 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000459993288 484520160 /nfs/dbraw/zinc/52/01/60/484520160.db2.gz SGHVCPAOPVULBO-UHFFFAOYSA-N 2 1 366.506 -0.154 20 0 FBADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000459993288 484520155 /nfs/dbraw/zinc/52/01/55/484520155.db2.gz SGHVCPAOPVULBO-UHFFFAOYSA-N 2 1 366.506 -0.154 20 0 FBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000459995126 484521492 /nfs/dbraw/zinc/52/14/92/484521492.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 1 365.522 -0.367 20 0 FBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459995126 484521488 /nfs/dbraw/zinc/52/14/88/484521488.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 1 365.522 -0.367 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000459995126 484521484 /nfs/dbraw/zinc/52/14/84/484521484.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 1 365.522 -0.367 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000459995126 484521481 /nfs/dbraw/zinc/52/14/81/484521481.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 1 365.522 -0.367 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000459995126 484521473 /nfs/dbraw/zinc/52/14/73/484521473.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 1 365.522 -0.367 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459999382 484521870 /nfs/dbraw/zinc/52/18/70/484521870.db2.gz WMJURVRWDNNMOP-DLBZAZTESA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459999382 484521866 /nfs/dbraw/zinc/52/18/66/484521866.db2.gz WMJURVRWDNNMOP-DLBZAZTESA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459999384 484520775 /nfs/dbraw/zinc/52/07/75/484520775.db2.gz WMJURVRWDNNMOP-IAGOWNOFSA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459999384 484520773 /nfs/dbraw/zinc/52/07/73/484520773.db2.gz WMJURVRWDNNMOP-IAGOWNOFSA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459999387 484521250 /nfs/dbraw/zinc/52/12/50/484521250.db2.gz WMJURVRWDNNMOP-IRXDYDNUSA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459999387 484521246 /nfs/dbraw/zinc/52/12/46/484521246.db2.gz WMJURVRWDNNMOP-IRXDYDNUSA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459999390 484520759 /nfs/dbraw/zinc/52/07/59/484520759.db2.gz WMJURVRWDNNMOP-SJORKVTESA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459999390 484520757 /nfs/dbraw/zinc/52/07/57/484520757.db2.gz WMJURVRWDNNMOP-SJORKVTESA-N 2 1 366.506 -0.033 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460002091 484521776 /nfs/dbraw/zinc/52/17/76/484521776.db2.gz ZUCINWHNOGVPFE-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460002091 484521770 /nfs/dbraw/zinc/52/17/70/484521770.db2.gz ZUCINWHNOGVPFE-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460002092 484521425 /nfs/dbraw/zinc/52/14/25/484521425.db2.gz ZUCINWHNOGVPFE-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460002092 484521422 /nfs/dbraw/zinc/52/14/22/484521422.db2.gz ZUCINWHNOGVPFE-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H]1C ZINC000460012793 484523211 /nfs/dbraw/zinc/52/32/11/484523211.db2.gz JMWQFRZHHQLVSN-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H]1C ZINC000460012793 484523208 /nfs/dbraw/zinc/52/32/08/484523208.db2.gz JMWQFRZHHQLVSN-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C ZINC000460012795 484522245 /nfs/dbraw/zinc/52/22/45/484522245.db2.gz JMWQFRZHHQLVSN-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C ZINC000460012795 484522244 /nfs/dbraw/zinc/52/22/44/484522244.db2.gz JMWQFRZHHQLVSN-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000460012798 484522264 /nfs/dbraw/zinc/52/22/64/484522264.db2.gz JMWQFRZHHQLVSN-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000460012798 484522262 /nfs/dbraw/zinc/52/22/62/484522262.db2.gz JMWQFRZHHQLVSN-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000460012800 484522643 /nfs/dbraw/zinc/52/26/43/484522643.db2.gz JMWQFRZHHQLVSN-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000460012800 484522637 /nfs/dbraw/zinc/52/26/37/484522637.db2.gz JMWQFRZHHQLVSN-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000460022760 484525306 /nfs/dbraw/zinc/52/53/06/484525306.db2.gz RCDIMMGWHDGWLT-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000460022761 484524459 /nfs/dbraw/zinc/52/44/59/484524459.db2.gz RCDIMMGWHDGWLT-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460023655 484525235 /nfs/dbraw/zinc/52/52/35/484525235.db2.gz RITGONJNSXYCLH-BBWFWOEESA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000460023655 484525230 /nfs/dbraw/zinc/52/52/30/484525230.db2.gz RITGONJNSXYCLH-BBWFWOEESA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460023656 484524776 /nfs/dbraw/zinc/52/47/76/484524776.db2.gz RITGONJNSXYCLH-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000460023656 484524772 /nfs/dbraw/zinc/52/47/72/484524772.db2.gz RITGONJNSXYCLH-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000460031103 484526026 /nfs/dbraw/zinc/52/60/26/484526026.db2.gz XZQSNYOLOQBOML-INIZCTEOSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000460031105 484525898 /nfs/dbraw/zinc/52/58/98/484525898.db2.gz XZQSNYOLOQBOML-MRXNPFEDSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000460031230 484526570 /nfs/dbraw/zinc/52/65/70/484526570.db2.gz YFJZWKDCODNFOZ-CVEARBPZSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000460031235 484526768 /nfs/dbraw/zinc/52/67/68/484526768.db2.gz YFJZWKDCODNFOZ-HOTGVXAUSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000460031240 484526305 /nfs/dbraw/zinc/52/63/05/484526305.db2.gz YFJZWKDCODNFOZ-HZPDHXFCSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000460031244 484526965 /nfs/dbraw/zinc/52/69/65/484526965.db2.gz YFJZWKDCODNFOZ-JKSUJKDBSA-N 2 1 350.463 -0.384 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000460067622 484534237 /nfs/dbraw/zinc/53/42/37/484534237.db2.gz SEVFSCHCLJQYGN-BBWFWOEESA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000460067622 484534230 /nfs/dbraw/zinc/53/42/30/484534230.db2.gz SEVFSCHCLJQYGN-BBWFWOEESA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000460067623 484534070 /nfs/dbraw/zinc/53/40/70/484534070.db2.gz SEVFSCHCLJQYGN-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000460067623 484534062 /nfs/dbraw/zinc/53/40/62/484534062.db2.gz SEVFSCHCLJQYGN-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000460072208 484535721 /nfs/dbraw/zinc/53/57/21/484535721.db2.gz FMMDTUQKHKTKEW-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000460072210 484535534 /nfs/dbraw/zinc/53/55/34/484535534.db2.gz FMMDTUQKHKTKEW-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H]1C ZINC000460077442 484537326 /nfs/dbraw/zinc/53/73/26/484537326.db2.gz PYMMKIMMRJMCCJ-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H]1C ZINC000460077442 484537318 /nfs/dbraw/zinc/53/73/18/484537318.db2.gz PYMMKIMMRJMCCJ-IKGGRYGDSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H]1C ZINC000460077443 484536605 /nfs/dbraw/zinc/53/66/05/484536605.db2.gz PYMMKIMMRJMCCJ-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H]1C ZINC000460077443 484536600 /nfs/dbraw/zinc/53/66/00/484536600.db2.gz PYMMKIMMRJMCCJ-IXDOHACOSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@@H]1C ZINC000460077444 484537696 /nfs/dbraw/zinc/53/76/96/484537696.db2.gz PYMMKIMMRJMCCJ-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@@H]1C ZINC000460077444 484537688 /nfs/dbraw/zinc/53/76/88/484537688.db2.gz PYMMKIMMRJMCCJ-ULQDDVLXSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@@H]1C ZINC000460077445 484538071 /nfs/dbraw/zinc/53/80/71/484538071.db2.gz PYMMKIMMRJMCCJ-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@@H]1C ZINC000460077445 484538067 /nfs/dbraw/zinc/53/80/67/484538067.db2.gz PYMMKIMMRJMCCJ-YESZJQIVSA-N 2 1 366.506 -0.013 20 0 FBADMP CNC(=O)CN1CCC(NC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000460124078 484451257 /nfs/dbraw/zinc/45/12/57/484451257.db2.gz IKMFZULGWAEKST-UHFFFAOYSA-N 2 1 370.542 -0.278 20 0 FBADMP CNC(=O)CN1CCC(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000460124078 484451251 /nfs/dbraw/zinc/45/12/51/484451251.db2.gz IKMFZULGWAEKST-UHFFFAOYSA-N 2 1 370.542 -0.278 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000460219426 484541568 /nfs/dbraw/zinc/54/15/68/484541568.db2.gz YHXNRKOYRGRECT-KRWDZBQOSA-N 2 1 351.451 -0.112 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000460219438 484541776 /nfs/dbraw/zinc/54/17/76/484541776.db2.gz YHXNRKOYRGRECT-QGZVFWFLSA-N 2 1 351.451 -0.112 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000460247898 484541654 /nfs/dbraw/zinc/54/16/54/484541654.db2.gz RAIYJXSIQWQLGD-KRWDZBQOSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000460247898 484541647 /nfs/dbraw/zinc/54/16/47/484541647.db2.gz RAIYJXSIQWQLGD-KRWDZBQOSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000460247906 484541194 /nfs/dbraw/zinc/54/11/94/484541194.db2.gz RAIYJXSIQWQLGD-QGZVFWFLSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000460247906 484541189 /nfs/dbraw/zinc/54/11/89/484541189.db2.gz RAIYJXSIQWQLGD-QGZVFWFLSA-N 2 1 355.483 -0.657 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000460272266 484542404 /nfs/dbraw/zinc/54/24/04/484542404.db2.gz WREJMHXNLPACHM-PBHICJAKSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460272266 484542399 /nfs/dbraw/zinc/54/23/99/484542399.db2.gz WREJMHXNLPACHM-PBHICJAKSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000460272266 484542393 /nfs/dbraw/zinc/54/23/93/484542393.db2.gz WREJMHXNLPACHM-PBHICJAKSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000460272267 484097236 /nfs/dbraw/zinc/09/72/36/484097236.db2.gz WREJMHXNLPACHM-RHSMWYFYSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460272267 484097226 /nfs/dbraw/zinc/09/72/26/484097226.db2.gz WREJMHXNLPACHM-RHSMWYFYSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000460272267 484097218 /nfs/dbraw/zinc/09/72/18/484097218.db2.gz WREJMHXNLPACHM-RHSMWYFYSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000460272268 484096964 /nfs/dbraw/zinc/09/69/64/484096964.db2.gz WREJMHXNLPACHM-WMLDXEAASA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460272268 484096956 /nfs/dbraw/zinc/09/69/56/484096956.db2.gz WREJMHXNLPACHM-WMLDXEAASA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000460272268 484096952 /nfs/dbraw/zinc/09/69/52/484096952.db2.gz WREJMHXNLPACHM-WMLDXEAASA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000460272269 484096228 /nfs/dbraw/zinc/09/62/28/484096228.db2.gz WREJMHXNLPACHM-YOEHRIQHSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460272269 484096223 /nfs/dbraw/zinc/09/62/23/484096223.db2.gz WREJMHXNLPACHM-YOEHRIQHSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000460272269 484096217 /nfs/dbraw/zinc/09/62/17/484096217.db2.gz WREJMHXNLPACHM-YOEHRIQHSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000460275113 484542234 /nfs/dbraw/zinc/54/22/34/484542234.db2.gz KGMIAKPSEVICDW-KRWDZBQOSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000460275114 484542744 /nfs/dbraw/zinc/54/27/44/484542744.db2.gz KGMIAKPSEVICDW-QGZVFWFLSA-N 2 1 355.483 -0.705 20 0 FBADMP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000461512312 484551430 /nfs/dbraw/zinc/55/14/30/484551430.db2.gz DQDOVYYJKCFNBB-KRWDZBQOSA-N 2 1 351.451 -0.112 20 0 FBADMP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000461512315 484422666 /nfs/dbraw/zinc/42/26/66/484422666.db2.gz DQDOVYYJKCFNBB-QGZVFWFLSA-N 2 1 351.451 -0.112 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000461859662 484560300 /nfs/dbraw/zinc/56/03/00/484560300.db2.gz BSTJNBQAEKHPAU-HNNXBMFYSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000461859664 484076109 /nfs/dbraw/zinc/07/61/09/484076109.db2.gz BSTJNBQAEKHPAU-OAHLLOKOSA-N 2 1 369.510 -0.016 20 0 FBADMP CC[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000462015408 484563842 /nfs/dbraw/zinc/56/38/42/484563842.db2.gz LNUCWVUBAJJZCP-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000462015409 484563555 /nfs/dbraw/zinc/56/35/55/484563555.db2.gz LNUCWVUBAJJZCP-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000462018083 484493004 /nfs/dbraw/zinc/49/30/04/484493004.db2.gz YPNHSECUKBBCNL-HUUCEWRRSA-N 2 1 357.499 -0.066 20 0 FBADMP CN(CC(N)=O)C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000462549320 484574318 /nfs/dbraw/zinc/57/43/18/484574318.db2.gz JLJKJZIKOKSYBH-AWEZNQCLSA-N 2 1 365.434 -0.472 20 0 FBADMP CN(CC(N)=O)C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000462549329 484574873 /nfs/dbraw/zinc/57/48/73/484574873.db2.gz JLJKJZIKOKSYBH-CQSZACIVSA-N 2 1 365.434 -0.472 20 0 FBADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000463060926 484583312 /nfs/dbraw/zinc/58/33/12/484583312.db2.gz CWZLJEWYGUZWOI-GJZGRUSLSA-N 2 1 357.499 -0.066 20 0 FBADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000463060927 484583173 /nfs/dbraw/zinc/58/31/73/484583173.db2.gz CWZLJEWYGUZWOI-LSDHHAIUSA-N 2 1 357.499 -0.066 20 0 FBADMP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000464598234 484606332 /nfs/dbraw/zinc/60/63/32/484606332.db2.gz SPRXRIFTZIOBKG-CRAIPNDOSA-N 2 1 371.478 -0.229 20 0 FBADMP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000464598274 484606564 /nfs/dbraw/zinc/60/65/64/484606564.db2.gz SPRXRIFTZIOBKG-MAUKXSAKSA-N 2 1 371.478 -0.229 20 0 FBADMP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000464598275 484605720 /nfs/dbraw/zinc/60/57/20/484605720.db2.gz SPRXRIFTZIOBKG-QAPCUYQASA-N 2 1 371.478 -0.229 20 0 FBADMP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000464598276 484606699 /nfs/dbraw/zinc/60/66/99/484606699.db2.gz SPRXRIFTZIOBKG-YJBOKZPZSA-N 2 1 371.478 -0.229 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000464789527 484286201 /nfs/dbraw/zinc/28/62/01/484286201.db2.gz ONTPJFNNCNRCOZ-MRXNPFEDSA-N 2 1 353.511 -0.508 20 0 FBADMP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000465180349 484614685 /nfs/dbraw/zinc/61/46/85/484614685.db2.gz ZIFVIHJOZCBWLD-DLBZAZTESA-N 2 1 355.527 -0.032 20 0 FBADMP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000465180350 484614499 /nfs/dbraw/zinc/61/44/99/484614499.db2.gz ZIFVIHJOZCBWLD-IAGOWNOFSA-N 2 1 355.527 -0.032 20 0 FBADMP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000465180351 484614004 /nfs/dbraw/zinc/61/40/04/484614004.db2.gz ZIFVIHJOZCBWLD-IRXDYDNUSA-N 2 1 355.527 -0.032 20 0 FBADMP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000465180352 484614625 /nfs/dbraw/zinc/61/46/25/484614625.db2.gz ZIFVIHJOZCBWLD-SJORKVTESA-N 2 1 355.527 -0.032 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000465527355 484622606 /nfs/dbraw/zinc/62/26/06/484622606.db2.gz MZRIZSFEHVBTRS-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000465527361 484621783 /nfs/dbraw/zinc/62/17/83/484621783.db2.gz MZRIZSFEHVBTRS-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000465536720 484623174 /nfs/dbraw/zinc/62/31/74/484623174.db2.gz BTHGLUGBJYHZTL-INIZCTEOSA-N 2 1 369.510 -0.051 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000465536721 484622276 /nfs/dbraw/zinc/62/22/76/484622276.db2.gz BTHGLUGBJYHZTL-MRXNPFEDSA-N 2 1 369.510 -0.051 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O ZINC000465554180 484622431 /nfs/dbraw/zinc/62/24/31/484622431.db2.gz TUXDXWIPRPZGLA-AWEZNQCLSA-N 2 1 363.528 -0.407 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O ZINC000465554181 484622737 /nfs/dbraw/zinc/62/27/37/484622737.db2.gz TUXDXWIPRPZGLA-CQSZACIVSA-N 2 1 363.528 -0.407 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465844733 484626646 /nfs/dbraw/zinc/62/66/46/484626646.db2.gz SUUMOOJLCLINPP-GOSISDBHSA-N 2 1 372.510 -0.130 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465844736 484626128 /nfs/dbraw/zinc/62/61/28/484626128.db2.gz SUUMOOJLCLINPP-SFHVURJKSA-N 2 1 372.510 -0.130 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465862098 484626101 /nfs/dbraw/zinc/62/61/01/484626101.db2.gz FKXYFHCCZWAUHD-UHFFFAOYSA-N 2 1 357.499 -0.194 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465862098 484626098 /nfs/dbraw/zinc/62/60/98/484626098.db2.gz FKXYFHCCZWAUHD-UHFFFAOYSA-N 2 1 357.499 -0.194 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000465941990 484628277 /nfs/dbraw/zinc/62/82/77/484628277.db2.gz YWQJQUVWTRBELJ-AWEZNQCLSA-N 2 1 368.482 -0.404 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000465941991 484628759 /nfs/dbraw/zinc/62/87/59/484628759.db2.gz YWQJQUVWTRBELJ-CQSZACIVSA-N 2 1 368.482 -0.404 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945710 484628424 /nfs/dbraw/zinc/62/84/24/484628424.db2.gz AIXAMOCBAHNZLG-HNNXBMFYSA-N 2 1 355.483 -0.453 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945710 484628419 /nfs/dbraw/zinc/62/84/19/484628419.db2.gz AIXAMOCBAHNZLG-HNNXBMFYSA-N 2 1 355.483 -0.453 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945711 484628150 /nfs/dbraw/zinc/62/81/50/484628150.db2.gz AIXAMOCBAHNZLG-OAHLLOKOSA-N 2 1 355.483 -0.453 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945711 484628144 /nfs/dbraw/zinc/62/81/44/484628144.db2.gz AIXAMOCBAHNZLG-OAHLLOKOSA-N 2 1 355.483 -0.453 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000465945922 484628030 /nfs/dbraw/zinc/62/80/30/484628030.db2.gz BWGRPBQBGPCYSW-INIZCTEOSA-N 2 1 369.510 -0.423 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000465945923 484628435 /nfs/dbraw/zinc/62/84/35/484628435.db2.gz BWGRPBQBGPCYSW-MRXNPFEDSA-N 2 1 369.510 -0.423 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000465949642 484627984 /nfs/dbraw/zinc/62/79/84/484627984.db2.gz LKEPLDHWYSTTLE-HNNXBMFYSA-N 2 1 355.483 -0.405 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000465949642 484627981 /nfs/dbraw/zinc/62/79/81/484627981.db2.gz LKEPLDHWYSTTLE-HNNXBMFYSA-N 2 1 355.483 -0.405 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000465949643 484628513 /nfs/dbraw/zinc/62/85/13/484628513.db2.gz LKEPLDHWYSTTLE-OAHLLOKOSA-N 2 1 355.483 -0.405 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000465949643 484628510 /nfs/dbraw/zinc/62/85/10/484628510.db2.gz LKEPLDHWYSTTLE-OAHLLOKOSA-N 2 1 355.483 -0.405 20 0 FBADMP C[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952629 484628857 /nfs/dbraw/zinc/62/88/57/484628857.db2.gz KPPHIYQAKIEKDD-AWEZNQCLSA-N 2 1 355.483 -0.670 20 0 FBADMP C[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952630 484628713 /nfs/dbraw/zinc/62/87/13/484628713.db2.gz KPPHIYQAKIEKDD-CQSZACIVSA-N 2 1 355.483 -0.670 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953027 484628397 /nfs/dbraw/zinc/62/83/97/484628397.db2.gz PTWIYUAKQOUTJQ-CVEARBPZSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953027 484628394 /nfs/dbraw/zinc/62/83/94/484628394.db2.gz PTWIYUAKQOUTJQ-CVEARBPZSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953034 484628607 /nfs/dbraw/zinc/62/86/07/484628607.db2.gz PTWIYUAKQOUTJQ-HOTGVXAUSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953034 484628602 /nfs/dbraw/zinc/62/86/02/484628602.db2.gz PTWIYUAKQOUTJQ-HOTGVXAUSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953036 484628016 /nfs/dbraw/zinc/62/80/16/484628016.db2.gz PTWIYUAKQOUTJQ-HZPDHXFCSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953036 484628010 /nfs/dbraw/zinc/62/80/10/484628010.db2.gz PTWIYUAKQOUTJQ-HZPDHXFCSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953038 484627806 /nfs/dbraw/zinc/62/78/06/484627806.db2.gz PTWIYUAKQOUTJQ-JKSUJKDBSA-N 2 1 369.510 -0.159 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465953038 484627802 /nfs/dbraw/zinc/62/78/02/484627802.db2.gz PTWIYUAKQOUTJQ-JKSUJKDBSA-N 2 1 369.510 -0.159 20 0 FBADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465958322 484630955 /nfs/dbraw/zinc/63/09/55/484630955.db2.gz REXMBIDFTGZLIB-INIZCTEOSA-N 2 1 369.510 -0.063 20 0 FBADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465958322 484630951 /nfs/dbraw/zinc/63/09/51/484630951.db2.gz REXMBIDFTGZLIB-INIZCTEOSA-N 2 1 369.510 -0.063 20 0 FBADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465958325 484629678 /nfs/dbraw/zinc/62/96/78/484629678.db2.gz REXMBIDFTGZLIB-MRXNPFEDSA-N 2 1 369.510 -0.063 20 0 FBADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465958325 484629672 /nfs/dbraw/zinc/62/96/72/484629672.db2.gz REXMBIDFTGZLIB-MRXNPFEDSA-N 2 1 369.510 -0.063 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000465963090 484630148 /nfs/dbraw/zinc/63/01/48/484630148.db2.gz ZKFSGXSZXNAZRZ-AWEZNQCLSA-N 2 1 357.524 -0.078 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000465963090 484630144 /nfs/dbraw/zinc/63/01/44/484630144.db2.gz ZKFSGXSZXNAZRZ-AWEZNQCLSA-N 2 1 357.524 -0.078 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000465963102 484630056 /nfs/dbraw/zinc/63/00/56/484630056.db2.gz ZKFSGXSZXNAZRZ-CQSZACIVSA-N 2 1 357.524 -0.078 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000465963102 484630050 /nfs/dbraw/zinc/63/00/50/484630050.db2.gz ZKFSGXSZXNAZRZ-CQSZACIVSA-N 2 1 357.524 -0.078 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000466064293 484630176 /nfs/dbraw/zinc/63/01/76/484630176.db2.gz HDYJPTNDZCAQMY-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135582 484631493 /nfs/dbraw/zinc/63/14/93/484631493.db2.gz PXCROVQITTXQND-CVEARBPZSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135593 484631414 /nfs/dbraw/zinc/63/14/14/484631414.db2.gz PXCROVQITTXQND-HOTGVXAUSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135595 484632677 /nfs/dbraw/zinc/63/26/77/484632677.db2.gz PXCROVQITTXQND-HZPDHXFCSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135597 484632255 /nfs/dbraw/zinc/63/22/55/484632255.db2.gz PXCROVQITTXQND-JKSUJKDBSA-N 2 1 368.526 -0.491 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 ZINC000466924410 484641952 /nfs/dbraw/zinc/64/19/52/484641952.db2.gz KCIGIWWLGZKUTN-CABCVRRESA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000466924410 484641940 /nfs/dbraw/zinc/64/19/40/484641940.db2.gz KCIGIWWLGZKUTN-CABCVRRESA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 ZINC000466924411 484642737 /nfs/dbraw/zinc/64/27/37/484642737.db2.gz KCIGIWWLGZKUTN-GJZGRUSLSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000466924411 484642732 /nfs/dbraw/zinc/64/27/32/484642732.db2.gz KCIGIWWLGZKUTN-GJZGRUSLSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 ZINC000466924412 484641900 /nfs/dbraw/zinc/64/19/00/484641900.db2.gz KCIGIWWLGZKUTN-HUUCEWRRSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000466924412 484641894 /nfs/dbraw/zinc/64/18/94/484641894.db2.gz KCIGIWWLGZKUTN-HUUCEWRRSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 ZINC000466924413 484641668 /nfs/dbraw/zinc/64/16/68/484641668.db2.gz KCIGIWWLGZKUTN-LSDHHAIUSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000466924413 484641662 /nfs/dbraw/zinc/64/16/62/484641662.db2.gz KCIGIWWLGZKUTN-LSDHHAIUSA-N 2 1 355.483 -0.537 20 0 FBADMP CNC(=O)N[C@H]1CCN(CC2(C[N@H+]3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926956 484641418 /nfs/dbraw/zinc/64/14/18/484641418.db2.gz OBRYKDCDXDUKEC-KBPBESRZSA-N 2 1 368.482 -0.990 20 0 FBADMP CNC(=O)N[C@@H]1CC[N@H+](CC2(CN3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926957 484642508 /nfs/dbraw/zinc/64/25/08/484642508.db2.gz OBRYKDCDXDUKEC-OKILXGFUSA-N 2 1 368.482 -0.990 20 0 FBADMP CNC(=O)N[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926957 484642502 /nfs/dbraw/zinc/64/25/02/484642502.db2.gz OBRYKDCDXDUKEC-OKILXGFUSA-N 2 1 368.482 -0.990 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926957 484642500 /nfs/dbraw/zinc/64/25/00/484642500.db2.gz OBRYKDCDXDUKEC-OKILXGFUSA-N 2 1 368.482 -0.990 20 0 FBADMP CNC(=O)N[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](NC(=O)NC)C3)COC2)C1 ZINC000466926958 484642563 /nfs/dbraw/zinc/64/25/63/484642563.db2.gz OBRYKDCDXDUKEC-ZIAGYGMSSA-N 2 1 368.482 -0.990 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000467543524 484656751 /nfs/dbraw/zinc/65/67/51/484656751.db2.gz POUGUXOOIHUZKR-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000467543525 484656768 /nfs/dbraw/zinc/65/67/68/484656768.db2.gz POUGUXOOIHUZKR-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000467641163 484659205 /nfs/dbraw/zinc/65/92/05/484659205.db2.gz PXWJUZMQCQHZOM-INIZCTEOSA-N 2 1 374.551 -0.409 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000467641169 484658867 /nfs/dbraw/zinc/65/88/67/484658867.db2.gz PXWJUZMQCQHZOM-MRXNPFEDSA-N 2 1 374.551 -0.409 20 0 FBADMP CC[NH+]1CCC(Nc2nc(NC)[nH+]c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000467746656 484661289 /nfs/dbraw/zinc/66/12/89/484661289.db2.gz PENYEEOUOMQRCT-UHFFFAOYSA-N 3 1 362.526 -0.029 20 0 FBADMP CNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000467779547 484663348 /nfs/dbraw/zinc/66/33/48/484663348.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 3 1 362.526 -0.032 20 0 FBADMP CNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000467779547 484663345 /nfs/dbraw/zinc/66/33/45/484663345.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 3 1 362.526 -0.032 20 0 FBADMP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000467779547 484663340 /nfs/dbraw/zinc/66/33/40/484663340.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 3 1 362.526 -0.032 20 0 FBADMP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000467779547 484663335 /nfs/dbraw/zinc/66/33/35/484663335.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 3 1 362.526 -0.032 20 0 FBADMP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000467779547 484663325 /nfs/dbraw/zinc/66/33/25/484663325.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 2 1 362.526 -0.032 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841329 484694817 /nfs/dbraw/zinc/69/48/17/484694817.db2.gz DHOVAUOVUARPBA-CABCVRRESA-N 2 1 355.483 -0.759 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841949 484694874 /nfs/dbraw/zinc/69/48/74/484694874.db2.gz DHOVAUOVUARPBA-GJZGRUSLSA-N 2 1 355.483 -0.759 20 0 FBADMP CCN1CCN(CC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000469306620 484349860 /nfs/dbraw/zinc/34/98/60/484349860.db2.gz YRGRWPXRZCEKCJ-UHFFFAOYSA-N 2 1 350.467 -0.209 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416921 484709715 /nfs/dbraw/zinc/70/97/15/484709715.db2.gz WWVJHLROVSNRBK-CABCVRRESA-N 2 1 367.494 -0.900 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416922 484709864 /nfs/dbraw/zinc/70/98/64/484709864.db2.gz WWVJHLROVSNRBK-GJZGRUSLSA-N 2 1 367.494 -0.900 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416923 484710179 /nfs/dbraw/zinc/71/01/79/484710179.db2.gz WWVJHLROVSNRBK-HUUCEWRRSA-N 2 1 367.494 -0.900 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416924 484710282 /nfs/dbraw/zinc/71/02/82/484710282.db2.gz WWVJHLROVSNRBK-LSDHHAIUSA-N 2 1 367.494 -0.900 20 0 FBADMP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000469499808 484711658 /nfs/dbraw/zinc/71/16/58/484711658.db2.gz OYVMLORAUPEDPM-CVEARBPZSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000469499809 484712833 /nfs/dbraw/zinc/71/28/33/484712833.db2.gz OYVMLORAUPEDPM-HOTGVXAUSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000469499810 484713566 /nfs/dbraw/zinc/71/35/66/484713566.db2.gz OYVMLORAUPEDPM-HZPDHXFCSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000469499811 484712711 /nfs/dbraw/zinc/71/27/11/484712711.db2.gz OYVMLORAUPEDPM-JKSUJKDBSA-N 2 1 353.511 -0.604 20 0 FBADMP Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848231 484722009 /nfs/dbraw/zinc/72/20/09/484722009.db2.gz HJUWMKRCKSKJMA-DZGCQCFKSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848232 484722633 /nfs/dbraw/zinc/72/26/33/484722633.db2.gz HJUWMKRCKSKJMA-HIFRSBDPSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848233 484722305 /nfs/dbraw/zinc/72/23/05/484722305.db2.gz HJUWMKRCKSKJMA-UKRRQHHQSA-N 2 1 363.462 -0.836 20 0 FBADMP Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848234 484722256 /nfs/dbraw/zinc/72/22/56/484722256.db2.gz HJUWMKRCKSKJMA-ZFWWWQNUSA-N 2 1 363.462 -0.836 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993220 484726962 /nfs/dbraw/zinc/72/69/62/484726962.db2.gz SSQRSOTTWRECAZ-INIZCTEOSA-N 3 1 361.494 -0.485 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993220 484726954 /nfs/dbraw/zinc/72/69/54/484726954.db2.gz SSQRSOTTWRECAZ-INIZCTEOSA-N 3 1 361.494 -0.485 20 0 FBADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993220 484726951 /nfs/dbraw/zinc/72/69/51/484726951.db2.gz SSQRSOTTWRECAZ-INIZCTEOSA-N 2 1 361.494 -0.485 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993221 484726572 /nfs/dbraw/zinc/72/65/72/484726572.db2.gz SSQRSOTTWRECAZ-MRXNPFEDSA-N 3 1 361.494 -0.485 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993221 484726563 /nfs/dbraw/zinc/72/65/63/484726563.db2.gz SSQRSOTTWRECAZ-MRXNPFEDSA-N 3 1 361.494 -0.485 20 0 FBADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993221 484726559 /nfs/dbraw/zinc/72/65/59/484726559.db2.gz SSQRSOTTWRECAZ-MRXNPFEDSA-N 2 1 361.494 -0.485 20 0 FBADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470012115 484726669 /nfs/dbraw/zinc/72/66/69/484726669.db2.gz PDVPRSRDJVQTEE-HNNXBMFYSA-N 2 1 364.494 -0.148 20 0 FBADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470012116 484726515 /nfs/dbraw/zinc/72/65/15/484726515.db2.gz PDVPRSRDJVQTEE-OAHLLOKOSA-N 2 1 364.494 -0.148 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470065548 484728414 /nfs/dbraw/zinc/72/84/14/484728414.db2.gz JRJAZHHYHPIGQV-UHFFFAOYSA-N 2 1 357.499 -0.458 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CNC(=O)C[NH3+])c2)C1 ZINC000470457213 484739075 /nfs/dbraw/zinc/73/90/75/484739075.db2.gz ZNYPSRBIDYQBFG-HNNXBMFYSA-N 2 1 361.446 -0.925 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CNC(=O)C[NH3+])c2)C1 ZINC000470457214 484738209 /nfs/dbraw/zinc/73/82/09/484738209.db2.gz ZNYPSRBIDYQBFG-OAHLLOKOSA-N 2 1 361.446 -0.925 20 0 FBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC000470481358 484740397 /nfs/dbraw/zinc/74/03/97/484740397.db2.gz GKSBDJVDJBTYCJ-UHFFFAOYSA-N 2 1 361.446 -0.593 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000470590407 484742781 /nfs/dbraw/zinc/74/27/81/484742781.db2.gz HAYUHPQYFJTRBR-INIZCTEOSA-N 2 1 370.494 -0.870 20 0 FBADMP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000470590407 484742775 /nfs/dbraw/zinc/74/27/75/484742775.db2.gz HAYUHPQYFJTRBR-INIZCTEOSA-N 2 1 370.494 -0.870 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000470590408 484743172 /nfs/dbraw/zinc/74/31/72/484743172.db2.gz HAYUHPQYFJTRBR-MRXNPFEDSA-N 2 1 370.494 -0.870 20 0 FBADMP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000470590408 484743165 /nfs/dbraw/zinc/74/31/65/484743165.db2.gz HAYUHPQYFJTRBR-MRXNPFEDSA-N 2 1 370.494 -0.870 20 0 FBADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000470932068 483777104 /nfs/dbraw/zinc/77/71/04/483777104.db2.gz NOZAZROAMHLIFN-AWEZNQCLSA-N 2 1 366.466 -0.702 20 0 FBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000470932071 483758901 /nfs/dbraw/zinc/75/89/01/483758901.db2.gz NOZAZROAMHLIFN-CQSZACIVSA-N 2 1 366.466 -0.702 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000471553945 484765541 /nfs/dbraw/zinc/76/55/41/484765541.db2.gz CDISGTBOAUNDBK-HNNXBMFYSA-N 2 1 369.510 -0.328 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000471553946 484765341 /nfs/dbraw/zinc/76/53/41/484765341.db2.gz CDISGTBOAUNDBK-OAHLLOKOSA-N 2 1 369.510 -0.328 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000471653367 484766183 /nfs/dbraw/zinc/76/61/83/484766183.db2.gz JNZNECRNOOTWHY-UHFFFAOYSA-N 2 1 369.510 -0.240 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000471658406 484766969 /nfs/dbraw/zinc/76/69/69/484766969.db2.gz MBNLQIFIJLIPJM-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000471658407 484766663 /nfs/dbraw/zinc/76/66/63/484766663.db2.gz MBNLQIFIJLIPJM-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472044988 484772373 /nfs/dbraw/zinc/77/23/73/484772373.db2.gz WPFLGXDCCWXHDV-CABCVRRESA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472044989 484772100 /nfs/dbraw/zinc/77/21/00/484772100.db2.gz WPFLGXDCCWXHDV-GJZGRUSLSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472044990 484772195 /nfs/dbraw/zinc/77/21/95/484772195.db2.gz WPFLGXDCCWXHDV-HUUCEWRRSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472044991 484772827 /nfs/dbraw/zinc/77/28/27/484772827.db2.gz WPFLGXDCCWXHDV-LSDHHAIUSA-N 2 1 368.478 -0.508 20 0 FBADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000472914262 484787973 /nfs/dbraw/zinc/78/79/73/484787973.db2.gz MFZRHKCAAUYKIO-CVEARBPZSA-N 2 1 368.526 -0.349 20 0 FBADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000472914263 484787267 /nfs/dbraw/zinc/78/72/67/484787267.db2.gz MFZRHKCAAUYKIO-HOTGVXAUSA-N 2 1 368.526 -0.349 20 0 FBADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000472914264 484786820 /nfs/dbraw/zinc/78/68/20/484786820.db2.gz MFZRHKCAAUYKIO-HZPDHXFCSA-N 2 1 368.526 -0.349 20 0 FBADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000472914265 484787931 /nfs/dbraw/zinc/78/79/31/484787931.db2.gz MFZRHKCAAUYKIO-JKSUJKDBSA-N 2 1 368.526 -0.349 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000473427597 484798377 /nfs/dbraw/zinc/79/83/77/484798377.db2.gz KXKVHPMYDQRDDM-HNNXBMFYSA-N 2 1 367.494 -0.981 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000473427598 484798543 /nfs/dbraw/zinc/79/85/43/484798543.db2.gz KXKVHPMYDQRDDM-OAHLLOKOSA-N 2 1 367.494 -0.981 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473945928 484808064 /nfs/dbraw/zinc/80/80/64/484808064.db2.gz OTVGJSBWAWTESY-UHFFFAOYSA-N 2 1 369.510 -0.269 20 0 FBADMP COCC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473947840 484808161 /nfs/dbraw/zinc/80/81/61/484808161.db2.gz JPQQLNDHLQHZKB-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473949789 484808696 /nfs/dbraw/zinc/80/86/96/484808696.db2.gz XFKHSRLKEPDHOM-UHFFFAOYSA-N 2 1 357.499 -0.240 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473949789 484808692 /nfs/dbraw/zinc/80/86/92/484808692.db2.gz XFKHSRLKEPDHOM-UHFFFAOYSA-N 2 1 357.499 -0.240 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473959992 484808356 /nfs/dbraw/zinc/80/83/56/484808356.db2.gz ZQYOUZFGURNJLO-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473959992 484808348 /nfs/dbraw/zinc/80/83/48/484808348.db2.gz ZQYOUZFGURNJLO-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473959994 484807735 /nfs/dbraw/zinc/80/77/35/484807735.db2.gz ZQYOUZFGURNJLO-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473959994 484807729 /nfs/dbraw/zinc/80/77/29/484807729.db2.gz ZQYOUZFGURNJLO-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474024687 484809853 /nfs/dbraw/zinc/80/98/53/484809853.db2.gz XIXGTAKIYXXKID-UHFFFAOYSA-N 2 1 357.499 -0.240 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474024687 484809849 /nfs/dbraw/zinc/80/98/49/484809849.db2.gz XIXGTAKIYXXKID-UHFFFAOYSA-N 2 1 357.499 -0.240 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000474055335 484809180 /nfs/dbraw/zinc/80/91/80/484809180.db2.gz JMAMTLUHRBMEJE-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000474055335 484809175 /nfs/dbraw/zinc/80/91/75/484809175.db2.gz JMAMTLUHRBMEJE-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000474055337 484809991 /nfs/dbraw/zinc/80/99/91/484809991.db2.gz JMAMTLUHRBMEJE-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000474055337 484809987 /nfs/dbraw/zinc/80/99/87/484809987.db2.gz JMAMTLUHRBMEJE-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC[N@@H+]1CC=CCC1 ZINC000474382842 484817307 /nfs/dbraw/zinc/81/73/07/484817307.db2.gz XFVRDPZEGBILTM-UHFFFAOYSA-N 2 1 353.511 -0.062 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630277 484823188 /nfs/dbraw/zinc/82/31/88/484823188.db2.gz GDQIEYNDXUDNPG-AWEZNQCLSA-N 2 1 366.466 -0.061 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630278 484823439 /nfs/dbraw/zinc/82/34/39/484823439.db2.gz GDQIEYNDXUDNPG-CQSZACIVSA-N 2 1 366.466 -0.061 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794677 484828416 /nfs/dbraw/zinc/82/84/16/484828416.db2.gz UIENPJNAOAWQSR-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794678 484827881 /nfs/dbraw/zinc/82/78/81/484827881.db2.gz UIENPJNAOAWQSR-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794679 484828100 /nfs/dbraw/zinc/82/81/00/484828100.db2.gz UIENPJNAOAWQSR-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794680 484827937 /nfs/dbraw/zinc/82/79/37/484827937.db2.gz UIENPJNAOAWQSR-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987237 484833528 /nfs/dbraw/zinc/83/35/28/484833528.db2.gz CKZHCQJNCCHYFV-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987238 484834038 /nfs/dbraw/zinc/83/40/38/484834038.db2.gz CKZHCQJNCCHYFV-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987239 484833623 /nfs/dbraw/zinc/83/36/23/484833623.db2.gz CKZHCQJNCCHYFV-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987240 484833966 /nfs/dbraw/zinc/83/39/66/484833966.db2.gz CKZHCQJNCCHYFV-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000477030306 484253127 /nfs/dbraw/zinc/25/31/27/484253127.db2.gz DJKXURIESBOPHV-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000477030320 484253104 /nfs/dbraw/zinc/25/31/04/484253104.db2.gz DJKXURIESBOPHV-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477031886 484253422 /nfs/dbraw/zinc/25/34/22/484253422.db2.gz ZPVSGXQTLSTOHF-AWEZNQCLSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477031892 484253024 /nfs/dbraw/zinc/25/30/24/484253024.db2.gz ZPVSGXQTLSTOHF-CQSZACIVSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000477034329 484256826 /nfs/dbraw/zinc/25/68/26/484256826.db2.gz OTYWABQVAONXJN-AWEZNQCLSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000477034332 484257546 /nfs/dbraw/zinc/25/75/46/484257546.db2.gz OTYWABQVAONXJN-CQSZACIVSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000477095097 484281646 /nfs/dbraw/zinc/28/16/46/484281646.db2.gz GFMVZDSBCXUXDW-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000477095100 484282001 /nfs/dbraw/zinc/28/20/01/484282001.db2.gz GFMVZDSBCXUXDW-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000477103474 484283252 /nfs/dbraw/zinc/28/32/52/484283252.db2.gz WGJDUBMFMQIPJE-HNNXBMFYSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000477103475 484283672 /nfs/dbraw/zinc/28/36/72/484283672.db2.gz WGJDUBMFMQIPJE-OAHLLOKOSA-N 2 1 369.510 -0.545 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000477132410 484890702 /nfs/dbraw/zinc/89/07/02/484890702.db2.gz ABPRBLLXZRERLY-UHFFFAOYSA-N 2 1 369.510 -0.458 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477141921 484892333 /nfs/dbraw/zinc/89/23/33/484892333.db2.gz VXPQCMJTSYHQJV-INIZCTEOSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477141921 484892329 /nfs/dbraw/zinc/89/23/29/484892329.db2.gz VXPQCMJTSYHQJV-INIZCTEOSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477141922 484892451 /nfs/dbraw/zinc/89/24/51/484892451.db2.gz VXPQCMJTSYHQJV-MRXNPFEDSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477141922 484892446 /nfs/dbraw/zinc/89/24/46/484892446.db2.gz VXPQCMJTSYHQJV-MRXNPFEDSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@@H+](C)CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477464591 484899325 /nfs/dbraw/zinc/89/93/25/484899325.db2.gz FNPLQRSKGLZRBE-UHFFFAOYSA-N 2 1 361.512 -0.082 20 0 FBADMP COCC[N@H+](C)CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477464591 484899317 /nfs/dbraw/zinc/89/93/17/484899317.db2.gz FNPLQRSKGLZRBE-UHFFFAOYSA-N 2 1 361.512 -0.082 20 0 FBADMP Cn1nncc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000477508518 484900279 /nfs/dbraw/zinc/90/02/79/484900279.db2.gz OSDZJLQZRNHKTE-UHFFFAOYSA-N 2 1 365.463 -0.299 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477612541 484905387 /nfs/dbraw/zinc/90/53/87/484905387.db2.gz FLEYFMQBUWKQIW-DZGCQCFKSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477612549 484904903 /nfs/dbraw/zinc/90/49/03/484904903.db2.gz FLEYFMQBUWKQIW-HIFRSBDPSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477612706 484904930 /nfs/dbraw/zinc/90/49/30/484904930.db2.gz FLEYFMQBUWKQIW-UKRRQHHQSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477612707 484904732 /nfs/dbraw/zinc/90/47/32/484904732.db2.gz FLEYFMQBUWKQIW-ZFWWWQNUSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000477615588 484904711 /nfs/dbraw/zinc/90/47/11/484904711.db2.gz MALLXLPMMDMRLE-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477626873 484905235 /nfs/dbraw/zinc/90/52/35/484905235.db2.gz NBSHFRQWTLOCPH-INIZCTEOSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477626875 484905001 /nfs/dbraw/zinc/90/50/01/484905001.db2.gz NBSHFRQWTLOCPH-MRXNPFEDSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000477627554 484905127 /nfs/dbraw/zinc/90/51/27/484905127.db2.gz QBICZXRALDPFCP-UHFFFAOYSA-N 2 1 358.508 -0.622 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000477642701 484906944 /nfs/dbraw/zinc/90/69/44/484906944.db2.gz JPMQQDBDTILRSE-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000477642709 484907147 /nfs/dbraw/zinc/90/71/47/484907147.db2.gz JPMQQDBDTILRSE-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000477642711 484906742 /nfs/dbraw/zinc/90/67/42/484906742.db2.gz JPMQQDBDTILRSE-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000477642713 484906905 /nfs/dbraw/zinc/90/69/05/484906905.db2.gz JPMQQDBDTILRSE-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000477647158 484906271 /nfs/dbraw/zinc/90/62/71/484906271.db2.gz RFNHQANQSFXMEI-HNNXBMFYSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000477647159 484907246 /nfs/dbraw/zinc/90/72/46/484907246.db2.gz RFNHQANQSFXMEI-OAHLLOKOSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477648709 484907264 /nfs/dbraw/zinc/90/72/64/484907264.db2.gz BFMYEXGFNRHLCG-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477648711 484907017 /nfs/dbraw/zinc/90/70/17/484907017.db2.gz BFMYEXGFNRHLCG-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000477649698 484907166 /nfs/dbraw/zinc/90/71/66/484907166.db2.gz DWXIRKBYETZWBF-AWEZNQCLSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000477649702 484907489 /nfs/dbraw/zinc/90/74/89/484907489.db2.gz DWXIRKBYETZWBF-CQSZACIVSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000477653302 484906550 /nfs/dbraw/zinc/90/65/50/484906550.db2.gz PQIJUYWMNAMKDR-UHFFFAOYSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000477655038 484906443 /nfs/dbraw/zinc/90/64/43/484906443.db2.gz VNPXYLNLXXVUPQ-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477682797 484908444 /nfs/dbraw/zinc/90/84/44/484908444.db2.gz IZPJCNYEBDKWFB-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000477682798 484907879 /nfs/dbraw/zinc/90/78/79/484907879.db2.gz IZPJCNYEBDKWFB-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000477682799 484909355 /nfs/dbraw/zinc/90/93/55/484909355.db2.gz IZPJCNYEBDKWFB-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477682800 484908402 /nfs/dbraw/zinc/90/84/02/484908402.db2.gz IZPJCNYEBDKWFB-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000477683666 484908647 /nfs/dbraw/zinc/90/86/47/484908647.db2.gz QESATLVAAARDPF-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000477683667 484908281 /nfs/dbraw/zinc/90/82/81/484908281.db2.gz QESATLVAAARDPF-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000477734365 484912708 /nfs/dbraw/zinc/91/27/08/484912708.db2.gz QQQGKFVTBNRUQJ-CVEARBPZSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000477734365 484912704 /nfs/dbraw/zinc/91/27/04/484912704.db2.gz QQQGKFVTBNRUQJ-CVEARBPZSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000477734365 484912698 /nfs/dbraw/zinc/91/26/98/484912698.db2.gz QQQGKFVTBNRUQJ-CVEARBPZSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000477734366 484911821 /nfs/dbraw/zinc/91/18/21/484911821.db2.gz QQQGKFVTBNRUQJ-HOTGVXAUSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000477734366 484911813 /nfs/dbraw/zinc/91/18/13/484911813.db2.gz QQQGKFVTBNRUQJ-HOTGVXAUSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000477734366 484911803 /nfs/dbraw/zinc/91/18/03/484911803.db2.gz QQQGKFVTBNRUQJ-HOTGVXAUSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000477734367 484912459 /nfs/dbraw/zinc/91/24/59/484912459.db2.gz QQQGKFVTBNRUQJ-HZPDHXFCSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000477734367 484912457 /nfs/dbraw/zinc/91/24/57/484912457.db2.gz QQQGKFVTBNRUQJ-HZPDHXFCSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000477734367 484912455 /nfs/dbraw/zinc/91/24/55/484912455.db2.gz QQQGKFVTBNRUQJ-HZPDHXFCSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000477734368 484912367 /nfs/dbraw/zinc/91/23/67/484912367.db2.gz QQQGKFVTBNRUQJ-JKSUJKDBSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000477734368 484912362 /nfs/dbraw/zinc/91/23/62/484912362.db2.gz QQQGKFVTBNRUQJ-JKSUJKDBSA-N 2 1 368.526 -0.526 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000477734368 484912355 /nfs/dbraw/zinc/91/23/55/484912355.db2.gz QQQGKFVTBNRUQJ-JKSUJKDBSA-N 2 1 368.526 -0.526 20 0 FBADMP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000477752015 484912332 /nfs/dbraw/zinc/91/23/32/484912332.db2.gz ZPGVHMVKACEEOP-INIZCTEOSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000477752016 484912178 /nfs/dbraw/zinc/91/21/78/484912178.db2.gz ZPGVHMVKACEEOP-MRXNPFEDSA-N 2 1 353.511 -0.413 20 0 FBADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000478011654 484916250 /nfs/dbraw/zinc/91/62/50/484916250.db2.gz VMJGRHFRFYJFSJ-NVXWUHKLSA-N 2 1 351.447 -0.017 20 0 FBADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014319 484917053 /nfs/dbraw/zinc/91/70/53/484917053.db2.gz JZJLQBVDXFJLJE-GJYPPUQNSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014321 484917107 /nfs/dbraw/zinc/91/71/07/484917107.db2.gz JZJLQBVDXFJLJE-GPMSIDNRSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014324 484916411 /nfs/dbraw/zinc/91/64/11/484916411.db2.gz JZJLQBVDXFJLJE-JTDSTZFVSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014327 484917066 /nfs/dbraw/zinc/91/70/66/484917066.db2.gz JZJLQBVDXFJLJE-MDZRGWNJSA-N 2 1 367.538 -0.025 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)C1 ZINC000478032423 484916759 /nfs/dbraw/zinc/91/67/59/484916759.db2.gz XAKDVXWKMOCXBJ-BRWVUGGUSA-N 2 1 360.458 -0.277 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC000478036016 484916319 /nfs/dbraw/zinc/91/63/19/484916319.db2.gz XDVYSKIXTKKEHU-HZPDHXFCSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000478882389 484937509 /nfs/dbraw/zinc/93/75/09/484937509.db2.gz GLZOLWPFMPOSNK-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000478882391 484937077 /nfs/dbraw/zinc/93/70/77/484937077.db2.gz GLZOLWPFMPOSNK-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000478882395 484936711 /nfs/dbraw/zinc/93/67/11/484936711.db2.gz GLZOLWPFMPOSNK-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000478882399 484936532 /nfs/dbraw/zinc/93/65/32/484936532.db2.gz GLZOLWPFMPOSNK-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)C1 ZINC000479295620 484947937 /nfs/dbraw/zinc/94/79/37/484947937.db2.gz XAKDVXWKMOCXBJ-GVDBMIGSSA-N 2 1 360.458 -0.277 20 0 FBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479756775 484953009 /nfs/dbraw/zinc/95/30/09/484953009.db2.gz RUKWJQCTBSSNSG-GASCZTMLSA-N 2 1 366.487 -0.466 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834957 484954617 /nfs/dbraw/zinc/95/46/17/484954617.db2.gz XRQWFPAWVIIRBP-KRWDZBQOSA-N 2 1 370.519 -0.479 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834958 484954402 /nfs/dbraw/zinc/95/44/02/484954402.db2.gz XRQWFPAWVIIRBP-QGZVFWFLSA-N 2 1 370.519 -0.479 20 0 FBADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000480501206 484969819 /nfs/dbraw/zinc/96/98/19/484969819.db2.gz NLJVWFYTLVWBHU-AEFFLSMTSA-N 2 1 357.495 -0.021 20 0 FBADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000480501208 484970089 /nfs/dbraw/zinc/97/00/89/484970089.db2.gz NLJVWFYTLVWBHU-FUHWJXTLSA-N 2 1 357.495 -0.021 20 0 FBADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000480501209 484969935 /nfs/dbraw/zinc/96/99/35/484969935.db2.gz NLJVWFYTLVWBHU-SJLPKXTDSA-N 2 1 357.495 -0.021 20 0 FBADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000480501211 484970120 /nfs/dbraw/zinc/97/01/20/484970120.db2.gz NLJVWFYTLVWBHU-WMZOPIPTSA-N 2 1 357.495 -0.021 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000480881095 484984788 /nfs/dbraw/zinc/98/47/88/484984788.db2.gz QLPCMIJDWLKSNU-HNNXBMFYSA-N 2 1 359.496 -0.594 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000480881102 484984412 /nfs/dbraw/zinc/98/44/12/484984412.db2.gz QLPCMIJDWLKSNU-OAHLLOKOSA-N 2 1 359.496 -0.594 20 0 FBADMP CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480884824 484984370 /nfs/dbraw/zinc/98/43/70/484984370.db2.gz YQJQASNGRGXNOC-UHFFFAOYSA-N 2 1 361.512 -0.346 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000481010850 484990744 /nfs/dbraw/zinc/99/07/44/484990744.db2.gz XNGSJVSYMPOMIS-TWMKSMIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000481010850 484990739 /nfs/dbraw/zinc/99/07/39/484990739.db2.gz XNGSJVSYMPOMIS-TWMKSMIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481010850 484990737 /nfs/dbraw/zinc/99/07/37/484990737.db2.gz XNGSJVSYMPOMIS-TWMKSMIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000481010853 484990364 /nfs/dbraw/zinc/99/03/64/484990364.db2.gz XNGSJVSYMPOMIS-VVLHAWIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000481010853 484990358 /nfs/dbraw/zinc/99/03/58/484990358.db2.gz XNGSJVSYMPOMIS-VVLHAWIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481010853 484990353 /nfs/dbraw/zinc/99/03/53/484990353.db2.gz XNGSJVSYMPOMIS-VVLHAWIVSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000481010855 484990866 /nfs/dbraw/zinc/99/08/66/484990866.db2.gz XNGSJVSYMPOMIS-YVSFHVDLSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000481010855 484990860 /nfs/dbraw/zinc/99/08/60/484990860.db2.gz XNGSJVSYMPOMIS-YVSFHVDLSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481010855 484990855 /nfs/dbraw/zinc/99/08/55/484990855.db2.gz XNGSJVSYMPOMIS-YVSFHVDLSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000481010858 484990421 /nfs/dbraw/zinc/99/04/21/484990421.db2.gz XNGSJVSYMPOMIS-YYIAUSFCSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000481010858 484990416 /nfs/dbraw/zinc/99/04/16/484990416.db2.gz XNGSJVSYMPOMIS-YYIAUSFCSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481010858 484990407 /nfs/dbraw/zinc/99/04/07/484990407.db2.gz XNGSJVSYMPOMIS-YYIAUSFCSA-N 2 1 367.538 -0.169 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000481315462 484997080 /nfs/dbraw/zinc/99/70/80/484997080.db2.gz VRUMFRZBJQJFME-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000481315462 484997072 /nfs/dbraw/zinc/99/70/72/484997072.db2.gz VRUMFRZBJQJFME-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481315462 484997069 /nfs/dbraw/zinc/99/70/69/484997069.db2.gz VRUMFRZBJQJFME-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000481315465 484996947 /nfs/dbraw/zinc/99/69/47/484996947.db2.gz VRUMFRZBJQJFME-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000481315465 484996940 /nfs/dbraw/zinc/99/69/40/484996940.db2.gz VRUMFRZBJQJFME-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481315465 484996932 /nfs/dbraw/zinc/99/69/32/484996932.db2.gz VRUMFRZBJQJFME-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000481315467 484997372 /nfs/dbraw/zinc/99/73/72/484997372.db2.gz VRUMFRZBJQJFME-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000481315467 484997365 /nfs/dbraw/zinc/99/73/65/484997365.db2.gz VRUMFRZBJQJFME-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481315467 484997363 /nfs/dbraw/zinc/99/73/63/484997363.db2.gz VRUMFRZBJQJFME-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000481315468 484996785 /nfs/dbraw/zinc/99/67/85/484996785.db2.gz VRUMFRZBJQJFME-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000481315468 484996780 /nfs/dbraw/zinc/99/67/80/484996780.db2.gz VRUMFRZBJQJFME-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481315468 484996776 /nfs/dbraw/zinc/99/67/76/484996776.db2.gz VRUMFRZBJQJFME-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCSC1 ZINC000481791924 485004282 /nfs/dbraw/zinc/00/42/82/485004282.db2.gz CYYOXUPSSNTPFL-CVEARBPZSA-N 2 1 360.524 -0.194 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCSC1 ZINC000481791926 485004248 /nfs/dbraw/zinc/00/42/48/485004248.db2.gz CYYOXUPSSNTPFL-HOTGVXAUSA-N 2 1 360.524 -0.194 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCSC1 ZINC000481791928 485004446 /nfs/dbraw/zinc/00/44/46/485004446.db2.gz CYYOXUPSSNTPFL-HZPDHXFCSA-N 2 1 360.524 -0.194 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCSC1 ZINC000481791930 485004821 /nfs/dbraw/zinc/00/48/21/485004821.db2.gz CYYOXUPSSNTPFL-JKSUJKDBSA-N 2 1 360.524 -0.194 20 0 FBADMP C[C@H]1OCC[C@@H]1[N@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278743 485035091 /nfs/dbraw/zinc/03/50/91/485035091.db2.gz DLQRRJNBCZYOCE-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278743 485035086 /nfs/dbraw/zinc/03/50/86/485035086.db2.gz DLQRRJNBCZYOCE-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@H]1OCC[C@@H]1N(CCO)CC1(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278743 485035084 /nfs/dbraw/zinc/03/50/84/485035084.db2.gz DLQRRJNBCZYOCE-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@H]1OCC[C@H]1[N@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278744 485035140 /nfs/dbraw/zinc/03/51/40/485035140.db2.gz DLQRRJNBCZYOCE-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@H]1OCC[C@H]1[N@@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278744 485035136 /nfs/dbraw/zinc/03/51/36/485035136.db2.gz DLQRRJNBCZYOCE-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@H]1OCC[C@H]1N(CCO)CC1(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278744 485035133 /nfs/dbraw/zinc/03/51/33/485035133.db2.gz DLQRRJNBCZYOCE-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@@H]1OCC[C@H]1[N@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278745 485035050 /nfs/dbraw/zinc/03/50/50/485035050.db2.gz DLQRRJNBCZYOCE-XLAORIBOSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC1(CN(CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278745 485035046 /nfs/dbraw/zinc/03/50/46/485035046.db2.gz DLQRRJNBCZYOCE-XLAORIBOSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@@H]1OCC[C@H]1N(CCO)CC1(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278745 485035042 /nfs/dbraw/zinc/03/50/42/485035042.db2.gz DLQRRJNBCZYOCE-XLAORIBOSA-N 2 1 372.506 -0.054 20 0 FBADMP C[C@@H]1OCC[C@@H]1N(CCO)CC1(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278825 485034575 /nfs/dbraw/zinc/03/45/75/485034575.db2.gz DLQRRJNBCZYOCE-XSLAGTTESA-N 2 1 372.506 -0.054 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@H]2C)C1 ZINC000483279522 485035759 /nfs/dbraw/zinc/03/57/59/485035759.db2.gz MUMBTMYRQXLFNJ-BBWFWOEESA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@@H]2C)C1 ZINC000483279523 485035301 /nfs/dbraw/zinc/03/53/01/485035301.db2.gz MUMBTMYRQXLFNJ-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@H]2C)C1 ZINC000483279525 485035937 /nfs/dbraw/zinc/03/59/37/485035937.db2.gz MUMBTMYRQXLFNJ-GVDBMIGSSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@@H]2C)C1 ZINC000483279527 485035255 /nfs/dbraw/zinc/03/52/55/485035255.db2.gz MUMBTMYRQXLFNJ-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000483510550 485041923 /nfs/dbraw/zinc/04/19/23/485041923.db2.gz ZFKMFBWEQRNBLY-AWEZNQCLSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483510550 485041917 /nfs/dbraw/zinc/04/19/17/485041917.db2.gz ZFKMFBWEQRNBLY-AWEZNQCLSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000483510551 485042226 /nfs/dbraw/zinc/04/22/26/485042226.db2.gz ZFKMFBWEQRNBLY-CQSZACIVSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483510551 485042222 /nfs/dbraw/zinc/04/22/22/485042222.db2.gz ZFKMFBWEQRNBLY-CQSZACIVSA-N 2 1 354.451 -0.754 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000483914685 485050634 /nfs/dbraw/zinc/05/06/34/485050634.db2.gz LEAQXVORZKMKIK-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000483914685 485050627 /nfs/dbraw/zinc/05/06/27/485050627.db2.gz LEAQXVORZKMKIK-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000483914685 485050621 /nfs/dbraw/zinc/05/06/21/485050621.db2.gz LEAQXVORZKMKIK-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000483914689 485050192 /nfs/dbraw/zinc/05/01/92/485050192.db2.gz LEAQXVORZKMKIK-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000483914689 485050185 /nfs/dbraw/zinc/05/01/85/485050185.db2.gz LEAQXVORZKMKIK-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000483914689 485050177 /nfs/dbraw/zinc/05/01/77/485050177.db2.gz LEAQXVORZKMKIK-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000483914691 485050890 /nfs/dbraw/zinc/05/08/90/485050890.db2.gz LEAQXVORZKMKIK-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000483914691 485050885 /nfs/dbraw/zinc/05/08/85/485050885.db2.gz LEAQXVORZKMKIK-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000483914691 485050881 /nfs/dbraw/zinc/05/08/81/485050881.db2.gz LEAQXVORZKMKIK-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000483914693 485050982 /nfs/dbraw/zinc/05/09/82/485050982.db2.gz LEAQXVORZKMKIK-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000483914693 485050980 /nfs/dbraw/zinc/05/09/80/485050980.db2.gz LEAQXVORZKMKIK-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000483914693 485050975 /nfs/dbraw/zinc/05/09/75/485050975.db2.gz LEAQXVORZKMKIK-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000484196024 485057753 /nfs/dbraw/zinc/05/77/53/485057753.db2.gz BNKJOSLDZKCNIG-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000484196025 485057476 /nfs/dbraw/zinc/05/74/76/485057476.db2.gz BNKJOSLDZKCNIG-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000484196026 485058016 /nfs/dbraw/zinc/05/80/16/485058016.db2.gz BNKJOSLDZKCNIG-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000484196027 485057537 /nfs/dbraw/zinc/05/75/37/485057537.db2.gz BNKJOSLDZKCNIG-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](CCOCC[N@H+](C)C1(CO)CCOCC1)C1(CO)CCOCC1 ZINC000484668560 485069896 /nfs/dbraw/zinc/06/98/96/485069896.db2.gz CGJZJXUTSOILAD-UHFFFAOYSA-N 2 1 360.495 -0.050 20 0 FBADMP C[NH+](CC1(C[N@H+](C)C2(CO)CCOCC2)COC1)C1(CO)CCOCC1 ZINC000484688528 485070299 /nfs/dbraw/zinc/07/02/99/485070299.db2.gz QHSOVUKBVXIDNC-UHFFFAOYSA-N 2 1 372.506 -0.050 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907564 485074296 /nfs/dbraw/zinc/07/42/96/485074296.db2.gz PLTCEBGWYPHKCL-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907564 485074292 /nfs/dbraw/zinc/07/42/92/485074292.db2.gz PLTCEBGWYPHKCL-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907565 485073712 /nfs/dbraw/zinc/07/37/12/485073712.db2.gz PLTCEBGWYPHKCL-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907565 485073706 /nfs/dbraw/zinc/07/37/06/485073706.db2.gz PLTCEBGWYPHKCL-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907566 485074320 /nfs/dbraw/zinc/07/43/20/485074320.db2.gz PLTCEBGWYPHKCL-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907566 485074315 /nfs/dbraw/zinc/07/43/15/485074315.db2.gz PLTCEBGWYPHKCL-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907567 485074582 /nfs/dbraw/zinc/07/45/82/485074582.db2.gz PLTCEBGWYPHKCL-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000484907567 485074576 /nfs/dbraw/zinc/07/45/76/485074576.db2.gz PLTCEBGWYPHKCL-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942790 485074535 /nfs/dbraw/zinc/07/45/35/485074535.db2.gz CYNFOSIKZZYPGD-KBPBESRZSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942790 485074527 /nfs/dbraw/zinc/07/45/27/485074527.db2.gz CYNFOSIKZZYPGD-KBPBESRZSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942796 485073830 /nfs/dbraw/zinc/07/38/30/485073830.db2.gz CYNFOSIKZZYPGD-KGLIPLIRSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942796 485073826 /nfs/dbraw/zinc/07/38/26/485073826.db2.gz CYNFOSIKZZYPGD-KGLIPLIRSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942799 485073895 /nfs/dbraw/zinc/07/38/95/485073895.db2.gz CYNFOSIKZZYPGD-UONOGXRCSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942799 485073887 /nfs/dbraw/zinc/07/38/87/485073887.db2.gz CYNFOSIKZZYPGD-UONOGXRCSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942801 485074678 /nfs/dbraw/zinc/07/46/78/485074678.db2.gz CYNFOSIKZZYPGD-ZIAGYGMSSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942801 485074670 /nfs/dbraw/zinc/07/46/70/485074670.db2.gz CYNFOSIKZZYPGD-ZIAGYGMSSA-N 2 1 372.477 -0.319 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947704 485074747 /nfs/dbraw/zinc/07/47/47/485074747.db2.gz QJTOIJMEPHOHFA-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947704 485074740 /nfs/dbraw/zinc/07/47/40/485074740.db2.gz QJTOIJMEPHOHFA-GXTWGEPZSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947705 485074270 /nfs/dbraw/zinc/07/42/70/485074270.db2.gz QJTOIJMEPHOHFA-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947705 485074265 /nfs/dbraw/zinc/07/42/65/485074265.db2.gz QJTOIJMEPHOHFA-JSGCOSHPSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947706 485074236 /nfs/dbraw/zinc/07/42/36/485074236.db2.gz QJTOIJMEPHOHFA-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947706 485074231 /nfs/dbraw/zinc/07/42/31/485074231.db2.gz QJTOIJMEPHOHFA-OCCSQVGLSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947707 485074434 /nfs/dbraw/zinc/07/44/34/485074434.db2.gz QJTOIJMEPHOHFA-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484947707 485074424 /nfs/dbraw/zinc/07/44/24/485074424.db2.gz QJTOIJMEPHOHFA-TZMCWYRMSA-N 2 1 354.476 -0.338 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000485385597 485085831 /nfs/dbraw/zinc/08/58/31/485085831.db2.gz RUMRADVISQHJGJ-AWEZNQCLSA-N 2 1 368.507 -0.063 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000485385597 485085828 /nfs/dbraw/zinc/08/58/28/485085828.db2.gz RUMRADVISQHJGJ-AWEZNQCLSA-N 2 1 368.507 -0.063 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cn1 ZINC000485385598 485086246 /nfs/dbraw/zinc/08/62/46/485086246.db2.gz RUMRADVISQHJGJ-CQSZACIVSA-N 2 1 368.507 -0.063 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000485385598 485086236 /nfs/dbraw/zinc/08/62/36/485086236.db2.gz RUMRADVISQHJGJ-CQSZACIVSA-N 2 1 368.507 -0.063 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485449544 485087770 /nfs/dbraw/zinc/08/77/70/485087770.db2.gz DOOAVIFFGGFVKU-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485449544 485087766 /nfs/dbraw/zinc/08/77/66/485087766.db2.gz DOOAVIFFGGFVKU-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485449544 485087762 /nfs/dbraw/zinc/08/77/62/485087762.db2.gz DOOAVIFFGGFVKU-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485449545 485087240 /nfs/dbraw/zinc/08/72/40/485087240.db2.gz DOOAVIFFGGFVKU-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485449545 485087234 /nfs/dbraw/zinc/08/72/34/485087234.db2.gz DOOAVIFFGGFVKU-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485449545 485087227 /nfs/dbraw/zinc/08/72/27/485087227.db2.gz DOOAVIFFGGFVKU-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000485449895 485087281 /nfs/dbraw/zinc/08/72/81/485087281.db2.gz GLDUBKOZWWFOQM-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461729 485087629 /nfs/dbraw/zinc/08/76/29/485087629.db2.gz AZJOYADAVBEXFJ-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461736 485087642 /nfs/dbraw/zinc/08/76/42/485087642.db2.gz AZJOYADAVBEXFJ-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485476375 485087583 /nfs/dbraw/zinc/08/75/83/485087583.db2.gz FEMLPDSNOVQBBM-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485476375 485087580 /nfs/dbraw/zinc/08/75/80/485087580.db2.gz FEMLPDSNOVQBBM-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485476375 485087575 /nfs/dbraw/zinc/08/75/75/485087575.db2.gz FEMLPDSNOVQBBM-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000485510078 485089565 /nfs/dbraw/zinc/08/95/65/485089565.db2.gz MCIFYNMPGUCYPY-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000485510925 485089045 /nfs/dbraw/zinc/08/90/45/485089045.db2.gz WTJOZHHXYTVWCL-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000485510926 485089630 /nfs/dbraw/zinc/08/96/30/485089630.db2.gz WTJOZHHXYTVWCL-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485529048 485088998 /nfs/dbraw/zinc/08/89/98/485088998.db2.gz FEMLPDSNOVQBBM-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485529048 485088992 /nfs/dbraw/zinc/08/89/92/485088992.db2.gz FEMLPDSNOVQBBM-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485529048 485088987 /nfs/dbraw/zinc/08/89/87/485088987.db2.gz FEMLPDSNOVQBBM-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000485536686 485091140 /nfs/dbraw/zinc/09/11/40/485091140.db2.gz MBSLWTAASPRBJA-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000485536687 485091015 /nfs/dbraw/zinc/09/10/15/485091015.db2.gz MBSLWTAASPRBJA-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000485557898 485090252 /nfs/dbraw/zinc/09/02/52/485090252.db2.gz AJIJRPSMCLRVMZ-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000485557899 485090584 /nfs/dbraw/zinc/09/05/84/485090584.db2.gz AJIJRPSMCLRVMZ-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485560690 485090782 /nfs/dbraw/zinc/09/07/82/485090782.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485560690 485090774 /nfs/dbraw/zinc/09/07/74/485090774.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485560690 485090769 /nfs/dbraw/zinc/09/07/69/485090769.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485560690 485090763 /nfs/dbraw/zinc/09/07/63/485090763.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485560690 485090756 /nfs/dbraw/zinc/09/07/56/485090756.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485560766 485090918 /nfs/dbraw/zinc/09/09/18/485090918.db2.gz JQISVPUAUHYPSA-UHFFFAOYSA-N 2 1 361.446 -0.051 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485564110 485090719 /nfs/dbraw/zinc/09/07/19/485090719.db2.gz AQNGQLBVHYGTCS-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CCO1 ZINC000485565640 485090061 /nfs/dbraw/zinc/09/00/61/485090061.db2.gz GDUGJJIETMBPCA-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CCO1 ZINC000485565640 485090059 /nfs/dbraw/zinc/09/00/59/485090059.db2.gz GDUGJJIETMBPCA-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC[NH+](C)C3CC3)CC2)CCO1 ZINC000485565640 485090053 /nfs/dbraw/zinc/09/00/53/485090053.db2.gz GDUGJJIETMBPCA-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CCO1 ZINC000485565641 485091052 /nfs/dbraw/zinc/09/10/52/485091052.db2.gz GDUGJJIETMBPCA-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CCO1 ZINC000485565641 485091047 /nfs/dbraw/zinc/09/10/47/485091047.db2.gz GDUGJJIETMBPCA-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC[NH+](C)C3CC3)CC2)CCO1 ZINC000485565641 485091044 /nfs/dbraw/zinc/09/10/44/485091044.db2.gz GDUGJJIETMBPCA-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000485566548 485091320 /nfs/dbraw/zinc/09/13/20/485091320.db2.gz IOSBNFNAPXYBBF-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000485597316 485092742 /nfs/dbraw/zinc/09/27/42/485092742.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000485597316 485092739 /nfs/dbraw/zinc/09/27/39/485092739.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)C1CC1 ZINC000485597316 485092737 /nfs/dbraw/zinc/09/27/37/485092737.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000485597317 485092334 /nfs/dbraw/zinc/09/23/34/485092334.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000485597317 485092329 /nfs/dbraw/zinc/09/23/29/485092329.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)C1CC1 ZINC000485597317 485092324 /nfs/dbraw/zinc/09/23/24/485092324.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000485601953 485091864 /nfs/dbraw/zinc/09/18/64/485091864.db2.gz QKIOHEAQLHLAFJ-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485604806 485091712 /nfs/dbraw/zinc/09/17/12/485091712.db2.gz WBZRJGLUWUNALN-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485604807 485091568 /nfs/dbraw/zinc/09/15/68/485091568.db2.gz WBZRJGLUWUNALN-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485604808 485091750 /nfs/dbraw/zinc/09/17/50/485091750.db2.gz WBZRJGLUWUNALN-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485604809 485092721 /nfs/dbraw/zinc/09/27/21/485092721.db2.gz WBZRJGLUWUNALN-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000485621873 485093816 /nfs/dbraw/zinc/09/38/16/485093816.db2.gz QVUAGGGGIYDNRX-UHFFFAOYSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485624426 483973826 /nfs/dbraw/zinc/97/38/26/483973826.db2.gz HQIMWZGYFJHPJH-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CNc1nc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)n1 ZINC000485854499 485095988 /nfs/dbraw/zinc/09/59/88/485095988.db2.gz WLKQRPLEBJLXNB-UHFFFAOYSA-N 2 1 362.526 -0.314 20 0 FBADMP COc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000485999202 485099622 /nfs/dbraw/zinc/09/96/22/485099622.db2.gz DABYNEDBXPWMJG-NMWPEEMBSA-N 2 1 359.478 -0.124 20 0 FBADMP CNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000486003928 485099358 /nfs/dbraw/zinc/09/93/58/485099358.db2.gz MPJPCYDHBZPVKN-NMWPEEMBSA-N 2 1 358.494 -0.669 20 0 FBADMP C[NH+]1CCN(c2cc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccn2)CC1 ZINC000486004085 485099143 /nfs/dbraw/zinc/09/91/43/485099143.db2.gz SSMVDUUKIJNKKK-INIZCTEOSA-N 2 1 374.489 -0.097 20 0 FBADMP C[NH+]1CCN(c2cc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000486004086 485099302 /nfs/dbraw/zinc/09/93/02/485099302.db2.gz SSMVDUUKIJNKKK-MRXNPFEDSA-N 2 1 374.489 -0.097 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486441270 485109399 /nfs/dbraw/zinc/10/93/99/485109399.db2.gz ZGGZMMCVYPBZER-INIZCTEOSA-N 2 1 351.495 -0.517 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486441271 485108685 /nfs/dbraw/zinc/10/86/85/485108685.db2.gz ZGGZMMCVYPBZER-MRXNPFEDSA-N 2 1 351.495 -0.517 20 0 FBADMP O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000486452008 485108024 /nfs/dbraw/zinc/10/80/24/485108024.db2.gz PQDUUISQCWOKQQ-KRWDZBQOSA-N 2 1 363.506 -0.374 20 0 FBADMP O=C(CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000486452009 485108221 /nfs/dbraw/zinc/10/82/21/485108221.db2.gz PQDUUISQCWOKQQ-QGZVFWFLSA-N 2 1 363.506 -0.374 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486461845 485108479 /nfs/dbraw/zinc/10/84/79/485108479.db2.gz CTAQLKIWULIESK-KRWDZBQOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486461847 485108274 /nfs/dbraw/zinc/10/82/74/485108274.db2.gz CTAQLKIWULIESK-QGZVFWFLSA-N 2 1 365.522 -0.128 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487041892 485119533 /nfs/dbraw/zinc/11/95/33/485119533.db2.gz XSNRUJLYMLMFDO-FRXHMLBDSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487041892 485119529 /nfs/dbraw/zinc/11/95/29/485119529.db2.gz XSNRUJLYMLMFDO-FRXHMLBDSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487041892 485119524 /nfs/dbraw/zinc/11/95/24/485119524.db2.gz XSNRUJLYMLMFDO-FRXHMLBDSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487041893 485119988 /nfs/dbraw/zinc/11/99/88/485119988.db2.gz XSNRUJLYMLMFDO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487041893 485119982 /nfs/dbraw/zinc/11/99/82/485119982.db2.gz XSNRUJLYMLMFDO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487041893 485119978 /nfs/dbraw/zinc/11/99/78/485119978.db2.gz XSNRUJLYMLMFDO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP COC(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487041894 485119700 /nfs/dbraw/zinc/11/97/00/485119700.db2.gz XSNRUJLYMLMFDO-WMHQRMGPSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487041895 485120347 /nfs/dbraw/zinc/12/03/47/485120347.db2.gz XSNRUJLYMLMFDO-YIDVYQOGSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487041895 485120342 /nfs/dbraw/zinc/12/03/42/485120342.db2.gz XSNRUJLYMLMFDO-YIDVYQOGSA-N 2 1 354.495 -0.371 20 0 FBADMP CO[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487041895 485120335 /nfs/dbraw/zinc/12/03/35/485120335.db2.gz XSNRUJLYMLMFDO-YIDVYQOGSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487370138 485126392 /nfs/dbraw/zinc/12/63/92/485126392.db2.gz VCNVJECMIOUUSO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487370138 485126386 /nfs/dbraw/zinc/12/63/86/485126386.db2.gz VCNVJECMIOUUSO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487370138 485126383 /nfs/dbraw/zinc/12/63/83/485126383.db2.gz VCNVJECMIOUUSO-GVRJEKJASA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487370139 485126307 /nfs/dbraw/zinc/12/63/07/485126307.db2.gz VCNVJECMIOUUSO-NPJQDHAYSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487370139 485126304 /nfs/dbraw/zinc/12/63/04/485126304.db2.gz VCNVJECMIOUUSO-NPJQDHAYSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487370139 485126299 /nfs/dbraw/zinc/12/62/99/485126299.db2.gz VCNVJECMIOUUSO-NPJQDHAYSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487370140 485126840 /nfs/dbraw/zinc/12/68/40/485126840.db2.gz VCNVJECMIOUUSO-RFBLXINOSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487370140 485126835 /nfs/dbraw/zinc/12/68/35/485126835.db2.gz VCNVJECMIOUUSO-RFBLXINOSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487370140 485126833 /nfs/dbraw/zinc/12/68/33/485126833.db2.gz VCNVJECMIOUUSO-RFBLXINOSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487370141 485126585 /nfs/dbraw/zinc/12/65/85/485126585.db2.gz VCNVJECMIOUUSO-ZVDSWSACSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487370141 485126581 /nfs/dbraw/zinc/12/65/81/485126581.db2.gz VCNVJECMIOUUSO-ZVDSWSACSA-N 2 1 354.495 -0.371 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487370141 485126576 /nfs/dbraw/zinc/12/65/76/485126576.db2.gz VCNVJECMIOUUSO-ZVDSWSACSA-N 2 1 354.495 -0.371 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000488607690 485145695 /nfs/dbraw/zinc/14/56/95/485145695.db2.gz BQTGPBLQEPRYTR-KSZLIROESA-N 2 1 368.522 -0.304 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)cc[nH+]1 ZINC000489512349 485159833 /nfs/dbraw/zinc/15/98/33/485159833.db2.gz TUPLYAFVTLRMIF-HNNXBMFYSA-N 2 1 359.478 -0.419 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc[nH+]1 ZINC000489512349 485159827 /nfs/dbraw/zinc/15/98/27/485159827.db2.gz TUPLYAFVTLRMIF-HNNXBMFYSA-N 2 1 359.478 -0.419 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)cc[nH+]1 ZINC000489512353 485159730 /nfs/dbraw/zinc/15/97/30/485159730.db2.gz TUPLYAFVTLRMIF-OAHLLOKOSA-N 2 1 359.478 -0.419 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc[nH+]1 ZINC000489512353 485159723 /nfs/dbraw/zinc/15/97/23/485159723.db2.gz TUPLYAFVTLRMIF-OAHLLOKOSA-N 2 1 359.478 -0.419 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000489856782 485165433 /nfs/dbraw/zinc/16/54/33/485165433.db2.gz HLZVTWSTUMEREU-MSOLQXFVSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000489856787 485165772 /nfs/dbraw/zinc/16/57/72/485165772.db2.gz HLZVTWSTUMEREU-QZTJIDSGSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000489856789 485165752 /nfs/dbraw/zinc/16/57/52/485165752.db2.gz HLZVTWSTUMEREU-ROUUACIJSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000489856791 485165719 /nfs/dbraw/zinc/16/57/19/485165719.db2.gz HLZVTWSTUMEREU-ZWKOTPCHSA-N 2 1 367.538 -0.561 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490957354 485182417 /nfs/dbraw/zinc/18/24/17/485182417.db2.gz CUGVYFBRRUOWCO-CVEARBPZSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490957355 485183466 /nfs/dbraw/zinc/18/34/66/485183466.db2.gz CUGVYFBRRUOWCO-HOTGVXAUSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490957356 485183242 /nfs/dbraw/zinc/18/32/42/485183242.db2.gz CUGVYFBRRUOWCO-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490957357 485183441 /nfs/dbraw/zinc/18/34/41/485183441.db2.gz CUGVYFBRRUOWCO-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nn1 ZINC000490986968 485183335 /nfs/dbraw/zinc/18/33/35/485183335.db2.gz KSRWGLABURYECA-DOTOQJQBSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nn1 ZINC000490986968 485183330 /nfs/dbraw/zinc/18/33/30/485183330.db2.gz KSRWGLABURYECA-DOTOQJQBSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nn1 ZINC000490986971 485182914 /nfs/dbraw/zinc/18/29/14/485182914.db2.gz KSRWGLABURYECA-NVXWUHKLSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nn1 ZINC000490986971 485182909 /nfs/dbraw/zinc/18/29/09/485182909.db2.gz KSRWGLABURYECA-NVXWUHKLSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nn1 ZINC000490986973 485183063 /nfs/dbraw/zinc/18/30/63/485183063.db2.gz KSRWGLABURYECA-RDJZCZTQSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nn1 ZINC000490986973 485183059 /nfs/dbraw/zinc/18/30/59/485183059.db2.gz KSRWGLABURYECA-RDJZCZTQSA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nn1 ZINC000490986976 485182962 /nfs/dbraw/zinc/18/29/62/485182962.db2.gz KSRWGLABURYECA-WBVHZDCISA-N 2 1 364.494 -0.049 20 0 FBADMP COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nn1 ZINC000490986976 485182954 /nfs/dbraw/zinc/18/29/54/485182954.db2.gz KSRWGLABURYECA-WBVHZDCISA-N 2 1 364.494 -0.049 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056314 485184548 /nfs/dbraw/zinc/18/45/48/485184548.db2.gz USYLBZNPHXHKNU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056314 485184544 /nfs/dbraw/zinc/18/45/44/485184544.db2.gz USYLBZNPHXHKNU-CVEARBPZSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056323 485184600 /nfs/dbraw/zinc/18/46/00/485184600.db2.gz USYLBZNPHXHKNU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056323 485184595 /nfs/dbraw/zinc/18/45/95/485184595.db2.gz USYLBZNPHXHKNU-HOTGVXAUSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056324 485184417 /nfs/dbraw/zinc/18/44/17/485184417.db2.gz USYLBZNPHXHKNU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056324 485184414 /nfs/dbraw/zinc/18/44/14/485184414.db2.gz USYLBZNPHXHKNU-HZPDHXFCSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056326 485184461 /nfs/dbraw/zinc/18/44/61/485184461.db2.gz USYLBZNPHXHKNU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056326 485184456 /nfs/dbraw/zinc/18/44/56/485184456.db2.gz USYLBZNPHXHKNU-JKSUJKDBSA-N 2 1 369.510 -0.363 20 0 FBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623742 485196012 /nfs/dbraw/zinc/19/60/12/485196012.db2.gz BRZPVIWUKMIJNI-CVEARBPZSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623845 485196448 /nfs/dbraw/zinc/19/64/48/485196448.db2.gz BRZPVIWUKMIJNI-HOTGVXAUSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623846 485196278 /nfs/dbraw/zinc/19/62/78/485196278.db2.gz BRZPVIWUKMIJNI-HZPDHXFCSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623847 485195874 /nfs/dbraw/zinc/19/58/74/485195874.db2.gz BRZPVIWUKMIJNI-JKSUJKDBSA-N 2 1 353.511 -0.332 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000494032005 485205587 /nfs/dbraw/zinc/20/55/87/485205587.db2.gz HNUYNGVIZBZBBZ-HNNXBMFYSA-N 2 1 362.478 -0.335 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000494032010 485205359 /nfs/dbraw/zinc/20/53/59/485205359.db2.gz HNUYNGVIZBZBBZ-OAHLLOKOSA-N 2 1 362.478 -0.335 20 0 FBADMP CO[C@H]1C[C@@H](C(N)=O)[NH+](CCCCC[N@H+]2C[C@@H](OC)C[C@H]2C(N)=O)C1 ZINC000494569047 484620928 /nfs/dbraw/zinc/62/09/28/484620928.db2.gz CDFCOEFVDZVZNL-AJNGGQMLSA-N 2 1 356.467 -0.694 20 0 FBADMP C[NH+](CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CC2)O1)C1CC1 ZINC000495136590 485220082 /nfs/dbraw/zinc/22/00/82/485220082.db2.gz IMECUOBFQMMPMC-HOTGVXAUSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CC2)O1)C1CC1 ZINC000495136591 485220417 /nfs/dbraw/zinc/22/04/17/485220417.db2.gz IMECUOBFQMMPMC-HZPDHXFCSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)C2CC2)O1)C1CC1 ZINC000495136592 485220238 /nfs/dbraw/zinc/22/02/38/485220238.db2.gz IMECUOBFQMMPMC-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CC2)O1)C1CC1 ZINC000495136592 485220235 /nfs/dbraw/zinc/22/02/35/485220235.db2.gz IMECUOBFQMMPMC-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CC2)O1)C1CC1 ZINC000495136592 485220229 /nfs/dbraw/zinc/22/02/29/485220229.db2.gz IMECUOBFQMMPMC-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCCN2CCNC(=O)C2)CC1 ZINC000495446901 485224431 /nfs/dbraw/zinc/22/44/31/485224431.db2.gz CZXJIHZYYCPEKA-UHFFFAOYSA-N 2 1 362.478 -0.430 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000495659364 485227206 /nfs/dbraw/zinc/22/72/06/485227206.db2.gz WBJANCLASBZKLD-KRWDZBQOSA-N 2 1 360.458 -0.222 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000495659364 485227198 /nfs/dbraw/zinc/22/71/98/485227198.db2.gz WBJANCLASBZKLD-KRWDZBQOSA-N 2 1 360.458 -0.222 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000495659365 485227144 /nfs/dbraw/zinc/22/71/44/485227144.db2.gz WBJANCLASBZKLD-QGZVFWFLSA-N 2 1 360.458 -0.222 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000495659365 485227139 /nfs/dbraw/zinc/22/71/39/485227139.db2.gz WBJANCLASBZKLD-QGZVFWFLSA-N 2 1 360.458 -0.222 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000495742193 485229037 /nfs/dbraw/zinc/22/90/37/485229037.db2.gz MKYBKNZCEBADRJ-IBGZPJMESA-N 2 1 373.501 -0.135 20 0 FBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000495742194 485228446 /nfs/dbraw/zinc/22/84/46/485228446.db2.gz MKYBKNZCEBADRJ-LJQANCHMSA-N 2 1 373.501 -0.135 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496264247 485231424 /nfs/dbraw/zinc/23/14/24/485231424.db2.gz JWXJJBATKJGIAN-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496264247 485231420 /nfs/dbraw/zinc/23/14/20/485231420.db2.gz JWXJJBATKJGIAN-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496264247 485231417 /nfs/dbraw/zinc/23/14/17/485231417.db2.gz JWXJJBATKJGIAN-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496264255 485231387 /nfs/dbraw/zinc/23/13/87/485231387.db2.gz JWXJJBATKJGIAN-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496264255 485231385 /nfs/dbraw/zinc/23/13/85/485231385.db2.gz JWXJJBATKJGIAN-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496264255 485231382 /nfs/dbraw/zinc/23/13/82/485231382.db2.gz JWXJJBATKJGIAN-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496267355 485230522 /nfs/dbraw/zinc/23/05/22/485230522.db2.gz QFHRECVUMHSXMJ-CVEARBPZSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496267356 485231402 /nfs/dbraw/zinc/23/14/02/485231402.db2.gz QFHRECVUMHSXMJ-HOTGVXAUSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496267357 485233061 /nfs/dbraw/zinc/23/30/61/485233061.db2.gz QFHRECVUMHSXMJ-HZPDHXFCSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496267357 485233055 /nfs/dbraw/zinc/23/30/55/485233055.db2.gz QFHRECVUMHSXMJ-HZPDHXFCSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267357 485233052 /nfs/dbraw/zinc/23/30/52/485233052.db2.gz QFHRECVUMHSXMJ-HZPDHXFCSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496267358 485231729 /nfs/dbraw/zinc/23/17/29/485231729.db2.gz QFHRECVUMHSXMJ-JKSUJKDBSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496267358 485231727 /nfs/dbraw/zinc/23/17/27/485231727.db2.gz QFHRECVUMHSXMJ-JKSUJKDBSA-N 2 1 367.538 -0.073 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267358 485231722 /nfs/dbraw/zinc/23/17/22/485231722.db2.gz QFHRECVUMHSXMJ-JKSUJKDBSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496267661 485233701 /nfs/dbraw/zinc/23/37/01/485233701.db2.gz RFXRXGXXGJPKAG-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496267667 485233751 /nfs/dbraw/zinc/23/37/51/485233751.db2.gz RFXRXGXXGJPKAG-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496283975 485232313 /nfs/dbraw/zinc/23/23/13/485232313.db2.gz MYQKEFTULXNYHA-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496288031 485232809 /nfs/dbraw/zinc/23/28/09/485232809.db2.gz XVWVKKUWLSVXNW-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496288031 485232804 /nfs/dbraw/zinc/23/28/04/485232804.db2.gz XVWVKKUWLSVXNW-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496288031 485232800 /nfs/dbraw/zinc/23/28/00/485232800.db2.gz XVWVKKUWLSVXNW-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000496315118 485233599 /nfs/dbraw/zinc/23/35/99/485233599.db2.gz RSNBWOBCPNCPGM-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000496315118 485233593 /nfs/dbraw/zinc/23/35/93/485233593.db2.gz RSNBWOBCPNCPGM-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000496315118 485233588 /nfs/dbraw/zinc/23/35/88/485233588.db2.gz RSNBWOBCPNCPGM-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000496315119 485232633 /nfs/dbraw/zinc/23/26/33/485232633.db2.gz RSNBWOBCPNCPGM-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000496315119 485232629 /nfs/dbraw/zinc/23/26/29/485232629.db2.gz RSNBWOBCPNCPGM-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000496315119 485232626 /nfs/dbraw/zinc/23/26/26/485232626.db2.gz RSNBWOBCPNCPGM-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496322984 485232572 /nfs/dbraw/zinc/23/25/72/485232572.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496322984 485232569 /nfs/dbraw/zinc/23/25/69/485232569.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000496322984 485232553 /nfs/dbraw/zinc/23/25/53/485232553.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000496322984 485232550 /nfs/dbraw/zinc/23/25/50/485232550.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496322986 485231874 /nfs/dbraw/zinc/23/18/74/485231874.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496322986 485231870 /nfs/dbraw/zinc/23/18/70/485231870.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000496322986 485231860 /nfs/dbraw/zinc/23/18/60/485231860.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000496322986 485231857 /nfs/dbraw/zinc/23/18/57/485231857.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496324209 485232441 /nfs/dbraw/zinc/23/24/41/485232441.db2.gz INRWLEHSEMKPQC-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496334369 485234260 /nfs/dbraw/zinc/23/42/60/485234260.db2.gz VJQHOSVHEGEVGL-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496355985 485233973 /nfs/dbraw/zinc/23/39/73/485233973.db2.gz FJDRXZHRHWJTRH-UHFFFAOYSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496355985 485233970 /nfs/dbraw/zinc/23/39/70/485233970.db2.gz FJDRXZHRHWJTRH-UHFFFAOYSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496359013 485234804 /nfs/dbraw/zinc/23/48/04/485234804.db2.gz JXIQFUDWZZPZDE-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000496375395 485234657 /nfs/dbraw/zinc/23/46/57/485234657.db2.gz HQXQYCCBOMOWEY-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000496375395 485234652 /nfs/dbraw/zinc/23/46/52/485234652.db2.gz HQXQYCCBOMOWEY-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496392016 485235116 /nfs/dbraw/zinc/23/51/16/485235116.db2.gz AGOSRONTIBZAKF-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496392017 485234106 /nfs/dbraw/zinc/23/41/06/485234106.db2.gz AGOSRONTIBZAKF-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC000496393409 485234957 /nfs/dbraw/zinc/23/49/57/485234957.db2.gz HJVBEFLBESQTOU-UHFFFAOYSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC000496393409 485234951 /nfs/dbraw/zinc/23/49/51/485234951.db2.gz HJVBEFLBESQTOU-UHFFFAOYSA-N 2 1 365.522 -0.175 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496393717 485234712 /nfs/dbraw/zinc/23/47/12/485234712.db2.gz JACDTCBNDOCCFF-UHFFFAOYSA-N 2 1 371.526 -0.835 20 0 FBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496393736 485234012 /nfs/dbraw/zinc/23/40/12/485234012.db2.gz JKAKRKMUOSPOCN-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496393736 485234008 /nfs/dbraw/zinc/23/40/08/485234008.db2.gz JKAKRKMUOSPOCN-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496393736 485234003 /nfs/dbraw/zinc/23/40/03/485234003.db2.gz JKAKRKMUOSPOCN-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496393737 485234284 /nfs/dbraw/zinc/23/42/84/485234284.db2.gz JKAKRKMUOSPOCN-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496393737 485234279 /nfs/dbraw/zinc/23/42/79/485234279.db2.gz JKAKRKMUOSPOCN-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496393737 485234273 /nfs/dbraw/zinc/23/42/73/485234273.db2.gz JKAKRKMUOSPOCN-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496394834 485235141 /nfs/dbraw/zinc/23/51/41/485235141.db2.gz NIUQTFPWHONPGK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496394834 485235139 /nfs/dbraw/zinc/23/51/39/485235139.db2.gz NIUQTFPWHONPGK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496394834 485235135 /nfs/dbraw/zinc/23/51/35/485235135.db2.gz NIUQTFPWHONPGK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496394836 485235349 /nfs/dbraw/zinc/23/53/49/485235349.db2.gz NIUQTFPWHONPGK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496394836 485235345 /nfs/dbraw/zinc/23/53/45/485235345.db2.gz NIUQTFPWHONPGK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496394836 485235339 /nfs/dbraw/zinc/23/53/39/485235339.db2.gz NIUQTFPWHONPGK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000496395266 485235207 /nfs/dbraw/zinc/23/52/07/485235207.db2.gz OYYRHVAMPYIKAU-INIZCTEOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000496395266 485235203 /nfs/dbraw/zinc/23/52/03/485235203.db2.gz OYYRHVAMPYIKAU-INIZCTEOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000496395266 485235199 /nfs/dbraw/zinc/23/51/99/485235199.db2.gz OYYRHVAMPYIKAU-INIZCTEOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000496395267 485235323 /nfs/dbraw/zinc/23/53/23/485235323.db2.gz OYYRHVAMPYIKAU-MRXNPFEDSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000496395267 485235318 /nfs/dbraw/zinc/23/53/18/485235318.db2.gz OYYRHVAMPYIKAU-MRXNPFEDSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000496395267 485235316 /nfs/dbraw/zinc/23/53/16/485235316.db2.gz OYYRHVAMPYIKAU-MRXNPFEDSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496395554 485234129 /nfs/dbraw/zinc/23/41/29/485234129.db2.gz QEHDLECRQXWEOM-UHFFFAOYSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496409117 485234229 /nfs/dbraw/zinc/23/42/29/485234229.db2.gz ACTMYJNUHSREMC-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496409117 485234224 /nfs/dbraw/zinc/23/42/24/485234224.db2.gz ACTMYJNUHSREMC-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496409117 485234216 /nfs/dbraw/zinc/23/42/16/485234216.db2.gz ACTMYJNUHSREMC-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496409118 485234358 /nfs/dbraw/zinc/23/43/58/485234358.db2.gz ACTMYJNUHSREMC-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496409118 485234351 /nfs/dbraw/zinc/23/43/51/485234351.db2.gz ACTMYJNUHSREMC-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496409118 485234346 /nfs/dbraw/zinc/23/43/46/485234346.db2.gz ACTMYJNUHSREMC-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496410837 485234067 /nfs/dbraw/zinc/23/40/67/485234067.db2.gz JSNMIVIGWWYRNT-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496410837 485234064 /nfs/dbraw/zinc/23/40/64/485234064.db2.gz JSNMIVIGWWYRNT-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496410837 485234058 /nfs/dbraw/zinc/23/40/58/485234058.db2.gz JSNMIVIGWWYRNT-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496410837 485234050 /nfs/dbraw/zinc/23/40/50/485234050.db2.gz JSNMIVIGWWYRNT-INIZCTEOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496410838 485234861 /nfs/dbraw/zinc/23/48/61/485234861.db2.gz JSNMIVIGWWYRNT-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496410838 485234857 /nfs/dbraw/zinc/23/48/57/485234857.db2.gz JSNMIVIGWWYRNT-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496410838 485234854 /nfs/dbraw/zinc/23/48/54/485234854.db2.gz JSNMIVIGWWYRNT-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496410838 485234848 /nfs/dbraw/zinc/23/48/48/485234848.db2.gz JSNMIVIGWWYRNT-MRXNPFEDSA-N 2 1 367.538 -0.073 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496413079 485235397 /nfs/dbraw/zinc/23/53/97/485235397.db2.gz SPPXNQRNUCDWTB-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000496413674 485234429 /nfs/dbraw/zinc/23/44/29/485234429.db2.gz UYOKQWAPMSYLAG-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000496413674 485234424 /nfs/dbraw/zinc/23/44/24/485234424.db2.gz UYOKQWAPMSYLAG-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000496413674 485234419 /nfs/dbraw/zinc/23/44/19/485234419.db2.gz UYOKQWAPMSYLAG-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)NCC[NH+](C)C ZINC000497433881 483510239 /nfs/dbraw/zinc/51/02/39/483510239.db2.gz QKRXEUGCYKDBTF-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)NCC[NH+](C)C ZINC000497433930 483509592 /nfs/dbraw/zinc/50/95/92/483509592.db2.gz QKRXEUGCYKDBTF-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000497834221 483546566 /nfs/dbraw/zinc/54/65/66/483546566.db2.gz ZSOLJRANGRUBFR-GJZGRUSLSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000497834221 483546563 /nfs/dbraw/zinc/54/65/63/483546563.db2.gz ZSOLJRANGRUBFR-GJZGRUSLSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497834225 483546214 /nfs/dbraw/zinc/54/62/14/483546214.db2.gz ZSOLJRANGRUBFR-LSDHHAIUSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497834225 483546209 /nfs/dbraw/zinc/54/62/09/483546209.db2.gz ZSOLJRANGRUBFR-LSDHHAIUSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000497838660 483548246 /nfs/dbraw/zinc/54/82/46/483548246.db2.gz ZSOLJRANGRUBFR-CABCVRRESA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000497838660 483548242 /nfs/dbraw/zinc/54/82/42/483548242.db2.gz ZSOLJRANGRUBFR-CABCVRRESA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497838661 483548105 /nfs/dbraw/zinc/54/81/05/483548105.db2.gz ZSOLJRANGRUBFR-HUUCEWRRSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497838661 483548099 /nfs/dbraw/zinc/54/80/99/483548099.db2.gz ZSOLJRANGRUBFR-HUUCEWRRSA-N 2 1 355.483 -0.718 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851102 483549895 /nfs/dbraw/zinc/54/98/95/483549895.db2.gz DXBNNIHBGQRVKZ-HRCADAONSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851102 483549892 /nfs/dbraw/zinc/54/98/92/483549892.db2.gz DXBNNIHBGQRVKZ-HRCADAONSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851102 483549888 /nfs/dbraw/zinc/54/98/88/483549888.db2.gz DXBNNIHBGQRVKZ-HRCADAONSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851103 483549797 /nfs/dbraw/zinc/54/97/97/483549797.db2.gz DXBNNIHBGQRVKZ-JYJNAYRXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851103 483549796 /nfs/dbraw/zinc/54/97/96/483549796.db2.gz DXBNNIHBGQRVKZ-JYJNAYRXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851103 483549791 /nfs/dbraw/zinc/54/97/91/483549791.db2.gz DXBNNIHBGQRVKZ-JYJNAYRXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851104 483549568 /nfs/dbraw/zinc/54/95/68/483549568.db2.gz DXBNNIHBGQRVKZ-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851104 483549565 /nfs/dbraw/zinc/54/95/65/483549565.db2.gz DXBNNIHBGQRVKZ-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851104 483549563 /nfs/dbraw/zinc/54/95/63/483549563.db2.gz DXBNNIHBGQRVKZ-OWCLPIDISA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851105 483549438 /nfs/dbraw/zinc/54/94/38/483549438.db2.gz DXBNNIHBGQRVKZ-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851105 483549435 /nfs/dbraw/zinc/54/94/35/483549435.db2.gz DXBNNIHBGQRVKZ-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851105 483549431 /nfs/dbraw/zinc/54/94/31/483549431.db2.gz DXBNNIHBGQRVKZ-PMPSAXMXSA-N 2 1 369.510 -0.330 20 0 FBADMP CSCC[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000497921869 483559230 /nfs/dbraw/zinc/55/92/30/483559230.db2.gz JVXJVICVJHCEJV-CYBMUJFWSA-N 2 1 354.480 -0.324 20 0 FBADMP CSCC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000497921870 483558997 /nfs/dbraw/zinc/55/89/97/483558997.db2.gz JVXJVICVJHCEJV-ZDUSSCGKSA-N 2 1 354.480 -0.324 20 0 FBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497936246 483560057 /nfs/dbraw/zinc/56/00/57/483560057.db2.gz FTPSLQCQGXWUFV-CVEARBPZSA-N 2 1 374.489 -0.355 20 0 FBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497936261 483560540 /nfs/dbraw/zinc/56/05/40/483560540.db2.gz FTPSLQCQGXWUFV-HOTGVXAUSA-N 2 1 374.489 -0.355 20 0 FBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497936263 483560450 /nfs/dbraw/zinc/56/04/50/483560450.db2.gz FTPSLQCQGXWUFV-HZPDHXFCSA-N 2 1 374.489 -0.355 20 0 FBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000497936264 483560504 /nfs/dbraw/zinc/56/05/04/483560504.db2.gz FTPSLQCQGXWUFV-JKSUJKDBSA-N 2 1 374.489 -0.355 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000498148807 484541332 /nfs/dbraw/zinc/54/13/32/484541332.db2.gz XZOGRXKHUDLTOA-CABCVRRESA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000498148807 484541329 /nfs/dbraw/zinc/54/13/29/484541329.db2.gz XZOGRXKHUDLTOA-CABCVRRESA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000498148808 484541430 /nfs/dbraw/zinc/54/14/30/484541430.db2.gz XZOGRXKHUDLTOA-GJZGRUSLSA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000498148808 484541425 /nfs/dbraw/zinc/54/14/25/484541425.db2.gz XZOGRXKHUDLTOA-GJZGRUSLSA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000498148809 484542006 /nfs/dbraw/zinc/54/20/06/484542006.db2.gz XZOGRXKHUDLTOA-HUUCEWRRSA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000498148809 484542001 /nfs/dbraw/zinc/54/20/01/484542001.db2.gz XZOGRXKHUDLTOA-HUUCEWRRSA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000498148810 484541263 /nfs/dbraw/zinc/54/12/63/484541263.db2.gz XZOGRXKHUDLTOA-LSDHHAIUSA-N 2 1 361.446 -0.006 20 0 FBADMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000498148810 484541256 /nfs/dbraw/zinc/54/12/56/484541256.db2.gz XZOGRXKHUDLTOA-LSDHHAIUSA-N 2 1 361.446 -0.006 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498167978 484686945 /nfs/dbraw/zinc/68/69/45/484686945.db2.gz XMFQEMOOSDZHOC-CYBMUJFWSA-N 2 1 367.450 -0.719 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498167982 484686565 /nfs/dbraw/zinc/68/65/65/484686565.db2.gz XMFQEMOOSDZHOC-ZDUSSCGKSA-N 2 1 367.450 -0.719 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(F)F)C(=O)NCCN1CCOCC1 ZINC000498205426 484575244 /nfs/dbraw/zinc/57/52/44/484575244.db2.gz QDDMRNBHFWHDKC-OBJOEFQTSA-N 2 1 364.437 -0.052 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)[C@H](N)CC(F)F)C(=O)NCCN1CCOCC1 ZINC000498205427 484574525 /nfs/dbraw/zinc/57/45/25/484574525.db2.gz QDDMRNBHFWHDKC-OUCADQQQSA-N 2 1 364.437 -0.052 20 0 FBADMP CC[C@H](C)[C@H](NC(=O)[C@H](N)CC(F)F)C(=O)NCCN1CCOCC1 ZINC000498205428 484575232 /nfs/dbraw/zinc/57/52/32/484575232.db2.gz QDDMRNBHFWHDKC-SCRDCRAPSA-N 2 1 364.437 -0.052 20 0 FBADMP CC[C@H](C)[C@@H](NC(=O)[C@@H](N)CC(F)F)C(=O)NCCN1CCOCC1 ZINC000498205429 484575040 /nfs/dbraw/zinc/57/50/40/484575040.db2.gz QDDMRNBHFWHDKC-SGMGOOAPSA-N 2 1 364.437 -0.052 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000498876931 483551936 /nfs/dbraw/zinc/55/19/36/483551936.db2.gz QXLRVSWZNYCWTO-AWEZNQCLSA-N 2 1 352.439 -0.780 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000498876931 483551932 /nfs/dbraw/zinc/55/19/32/483551932.db2.gz QXLRVSWZNYCWTO-AWEZNQCLSA-N 2 1 352.439 -0.780 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000498876932 483552158 /nfs/dbraw/zinc/55/21/58/483552158.db2.gz QXLRVSWZNYCWTO-CQSZACIVSA-N 2 1 352.439 -0.780 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000498876932 483552155 /nfs/dbraw/zinc/55/21/55/483552155.db2.gz QXLRVSWZNYCWTO-CQSZACIVSA-N 2 1 352.439 -0.780 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC1 ZINC000498952959 485248464 /nfs/dbraw/zinc/24/84/64/485248464.db2.gz BZUIISSUYSTHJX-UHFFFAOYSA-N 2 1 352.479 -0.330 20 0 FBADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CC1 ZINC000498952959 485248461 /nfs/dbraw/zinc/24/84/61/485248461.db2.gz BZUIISSUYSTHJX-UHFFFAOYSA-N 2 1 352.479 -0.330 20 0 FBADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000498952959 485248457 /nfs/dbraw/zinc/24/84/57/485248457.db2.gz BZUIISSUYSTHJX-UHFFFAOYSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500075315 485271019 /nfs/dbraw/zinc/27/10/19/485271019.db2.gz NZNMZWHEZBAQFZ-INIZCTEOSA-N 2 1 361.556 -0.092 20 0 FBADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500075317 485270501 /nfs/dbraw/zinc/27/05/01/485270501.db2.gz NZNMZWHEZBAQFZ-MRXNPFEDSA-N 2 1 361.556 -0.092 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244635 485272897 /nfs/dbraw/zinc/27/28/97/485272897.db2.gz INCRIPZKNDBNDE-CYBMUJFWSA-N 2 1 361.512 -0.908 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244635 485272896 /nfs/dbraw/zinc/27/28/96/485272896.db2.gz INCRIPZKNDBNDE-CYBMUJFWSA-N 2 1 361.512 -0.908 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244638 485272882 /nfs/dbraw/zinc/27/28/82/485272882.db2.gz INCRIPZKNDBNDE-ZDUSSCGKSA-N 2 1 361.512 -0.908 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244638 485272880 /nfs/dbraw/zinc/27/28/80/485272880.db2.gz INCRIPZKNDBNDE-ZDUSSCGKSA-N 2 1 361.512 -0.908 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500427138 485281152 /nfs/dbraw/zinc/28/11/52/485281152.db2.gz QZXVOXDRYXACOZ-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000500440209 485280673 /nfs/dbraw/zinc/28/06/73/485280673.db2.gz ITGQLUZECGZHBQ-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CC(C)(C)O ZINC000500454866 485281748 /nfs/dbraw/zinc/28/17/48/485281748.db2.gz FPMNJZXHTDUOGR-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000500454866 485281744 /nfs/dbraw/zinc/28/17/44/485281744.db2.gz FPMNJZXHTDUOGR-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CC(C)(C)O ZINC000500454867 485282714 /nfs/dbraw/zinc/28/27/14/485282714.db2.gz FPMNJZXHTDUOGR-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000500454867 485282708 /nfs/dbraw/zinc/28/27/08/485282708.db2.gz FPMNJZXHTDUOGR-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500458478 485282250 /nfs/dbraw/zinc/28/22/50/485282250.db2.gz QLAUALAGTNSONV-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500458478 485282244 /nfs/dbraw/zinc/28/22/44/485282244.db2.gz QLAUALAGTNSONV-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500458479 485282070 /nfs/dbraw/zinc/28/20/70/485282070.db2.gz QLAUALAGTNSONV-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500458479 485282062 /nfs/dbraw/zinc/28/20/62/485282062.db2.gz QLAUALAGTNSONV-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500459618 485281923 /nfs/dbraw/zinc/28/19/23/485281923.db2.gz VUYKQQGVNDHFNT-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500459627 485282000 /nfs/dbraw/zinc/28/20/00/485282000.db2.gz VUYKQQGVNDHFNT-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000500471089 485282335 /nfs/dbraw/zinc/28/23/35/485282335.db2.gz YHKGTJAASGUCBS-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000500764315 485287640 /nfs/dbraw/zinc/28/76/40/485287640.db2.gz MGLSDBFEPLPXMC-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000500764316 485288295 /nfs/dbraw/zinc/28/82/95/485288295.db2.gz MGLSDBFEPLPXMC-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCC1 ZINC000500771560 485288988 /nfs/dbraw/zinc/28/89/88/485288988.db2.gz KWEKFBOSKYCJKX-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500777457 485288970 /nfs/dbraw/zinc/28/89/70/485288970.db2.gz DVKNQEGSNFUDHZ-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500786102 485289829 /nfs/dbraw/zinc/28/98/29/485289829.db2.gz QXUMRXVVURLOFN-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP C[C@@H]1CN(CCN2CC[N@@H+](CCN3CCO[C@H](C)C3)CC(O)C2)CCO1 ZINC000501040431 485294110 /nfs/dbraw/zinc/29/41/10/485294110.db2.gz ZPRCGCDODDPUIO-QZTJIDSGSA-N 2 1 370.538 -0.594 20 0 FBADMP C[C@H]1CN(CCN2CC[N@@H+](CCN3CCO[C@@H](C)C3)CC(O)C2)CCO1 ZINC000501040432 485294144 /nfs/dbraw/zinc/29/41/44/485294144.db2.gz ZPRCGCDODDPUIO-ROUUACIJSA-N 2 1 370.538 -0.594 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501099095 485295970 /nfs/dbraw/zinc/29/59/70/485295970.db2.gz NZTWSQQQHUZBTH-UHFFFAOYSA-N 2 1 357.451 -0.833 20 0 FBADMP C[N@@H+](CC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCSC1 ZINC000501511801 485303158 /nfs/dbraw/zinc/30/31/58/485303158.db2.gz RKWHMBLZGQARIH-INIZCTEOSA-N 2 1 358.552 -0.070 20 0 FBADMP C[N@@H+](CC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCSC1 ZINC000501511807 485303347 /nfs/dbraw/zinc/30/33/47/485303347.db2.gz RKWHMBLZGQARIH-MRXNPFEDSA-N 2 1 358.552 -0.070 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCOCC[NH+](C)C)C2 ZINC000502604482 483923294 /nfs/dbraw/zinc/92/32/94/483923294.db2.gz SCQHIRPGLBUSFN-MQVJKMGUSA-N 2 1 369.510 -0.053 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000502667194 483926269 /nfs/dbraw/zinc/92/62/69/483926269.db2.gz LEICSIOBPWZWLQ-KRWDZBQOSA-N 2 1 357.499 -0.411 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000502667212 483553174 /nfs/dbraw/zinc/55/31/74/483553174.db2.gz LEICSIOBPWZWLQ-QGZVFWFLSA-N 2 1 357.499 -0.411 20 0 FBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000502840099 483928694 /nfs/dbraw/zinc/92/86/94/483928694.db2.gz ICLCWTKSAUQTDT-ARFHVFGLSA-N 2 1 354.495 -0.036 20 0 FBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000502840100 483928656 /nfs/dbraw/zinc/92/86/56/483928656.db2.gz ICLCWTKSAUQTDT-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000502840101 483929563 /nfs/dbraw/zinc/92/95/63/483929563.db2.gz ICLCWTKSAUQTDT-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000502840102 483929301 /nfs/dbraw/zinc/92/93/01/483929301.db2.gz ICLCWTKSAUQTDT-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000502880499 483930400 /nfs/dbraw/zinc/93/04/00/483930400.db2.gz KJKLNXNVAOMMGU-FQEVSTJZSA-N 2 1 374.485 -0.002 20 0 FBADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000502880499 483930393 /nfs/dbraw/zinc/93/03/93/483930393.db2.gz KJKLNXNVAOMMGU-FQEVSTJZSA-N 2 1 374.485 -0.002 20 0 FBADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000502880500 483931062 /nfs/dbraw/zinc/93/10/62/483931062.db2.gz KJKLNXNVAOMMGU-HXUWFJFHSA-N 2 1 374.485 -0.002 20 0 FBADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000502880500 483931054 /nfs/dbraw/zinc/93/10/54/483931054.db2.gz KJKLNXNVAOMMGU-HXUWFJFHSA-N 2 1 374.485 -0.002 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503038643 483936222 /nfs/dbraw/zinc/93/62/22/483936222.db2.gz WJQNBSMCKRGTKH-UHFFFAOYSA-N 2 1 355.483 -0.486 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503385781 483946298 /nfs/dbraw/zinc/94/62/98/483946298.db2.gz KTQVBWYQHPDIEO-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000503488471 483949421 /nfs/dbraw/zinc/94/94/21/483949421.db2.gz ALPLWNXKAFYLLB-UHFFFAOYSA-N 2 1 367.494 -0.342 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000504824741 483990867 /nfs/dbraw/zinc/99/08/67/483990867.db2.gz KCBYDENWZGGGGU-CRAIPNDOSA-N 2 1 370.494 -0.872 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000504824742 483989948 /nfs/dbraw/zinc/98/99/48/483989948.db2.gz KCBYDENWZGGGGU-MAUKXSAKSA-N 2 1 370.494 -0.872 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000504824843 483989586 /nfs/dbraw/zinc/98/95/86/483989586.db2.gz KCBYDENWZGGGGU-QAPCUYQASA-N 2 1 370.494 -0.872 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000504824844 483990369 /nfs/dbraw/zinc/99/03/69/483990369.db2.gz KCBYDENWZGGGGU-YJBOKZPZSA-N 2 1 370.494 -0.872 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759900 484013401 /nfs/dbraw/zinc/01/34/01/484013401.db2.gz IAJCWJVRANUISC-HNNXBMFYSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759901 484013489 /nfs/dbraw/zinc/01/34/89/484013489.db2.gz IAJCWJVRANUISC-OAHLLOKOSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816981 484013308 /nfs/dbraw/zinc/01/33/08/484013308.db2.gz DLODCRXTVAEAHN-HNNXBMFYSA-N 2 1 360.524 -0.104 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816982 484013703 /nfs/dbraw/zinc/01/37/03/484013703.db2.gz DLODCRXTVAEAHN-OAHLLOKOSA-N 2 1 360.524 -0.104 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826605 484013616 /nfs/dbraw/zinc/01/36/16/484013616.db2.gz TYSYFJYGWBOCJE-AWEZNQCLSA-N 2 1 353.467 -0.245 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826606 484013902 /nfs/dbraw/zinc/01/39/02/484013902.db2.gz TYSYFJYGWBOCJE-CQSZACIVSA-N 2 1 353.467 -0.245 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469765 484031511 /nfs/dbraw/zinc/03/15/11/484031511.db2.gz LJXCESPOMBSBSU-PBHICJAKSA-N 2 1 357.499 -0.459 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469766 484031551 /nfs/dbraw/zinc/03/15/51/484031551.db2.gz LJXCESPOMBSBSU-RHSMWYFYSA-N 2 1 357.499 -0.459 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469767 484031973 /nfs/dbraw/zinc/03/19/73/484031973.db2.gz LJXCESPOMBSBSU-WMLDXEAASA-N 2 1 357.499 -0.459 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469769 484032329 /nfs/dbraw/zinc/03/23/29/484032329.db2.gz LJXCESPOMBSBSU-YOEHRIQHSA-N 2 1 357.499 -0.459 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506828098 484040425 /nfs/dbraw/zinc/04/04/25/484040425.db2.gz VHPUOXHXDIVFNX-UHFFFAOYSA-N 2 1 369.510 -0.051 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000506931805 484041848 /nfs/dbraw/zinc/04/18/48/484041848.db2.gz KREKGSSXGHRQPT-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000507368617 484050124 /nfs/dbraw/zinc/05/01/24/484050124.db2.gz AWAONTPJRRVZBI-UHFFFAOYSA-N 2 1 369.510 -0.593 20 0 FBADMP CC[NH+]1CCC(NC(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507370586 484050004 /nfs/dbraw/zinc/05/00/04/484050004.db2.gz JNFQJWUDZASKKL-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435631 484053743 /nfs/dbraw/zinc/05/37/43/484053743.db2.gz YEJVDAIMPSOJLD-CYBMUJFWSA-N 2 1 371.482 -0.763 20 0 FBADMP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435632 484053179 /nfs/dbraw/zinc/05/31/79/484053179.db2.gz YEJVDAIMPSOJLD-ZDUSSCGKSA-N 2 1 371.482 -0.763 20 0 FBADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435684 484053154 /nfs/dbraw/zinc/05/31/54/484053154.db2.gz ZDLALZFBECJLKW-UHFFFAOYSA-N 2 1 369.510 -0.639 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507443888 484053090 /nfs/dbraw/zinc/05/30/90/484053090.db2.gz YXZRHNOYIDTLHI-UHFFFAOYSA-N 2 1 355.483 -0.142 20 0 FBADMP NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507912370 484068071 /nfs/dbraw/zinc/06/80/71/484068071.db2.gz HDLRWGPQORPTNG-UHFFFAOYSA-N 2 1 353.467 -0.115 20 0 FBADMP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000509340411 484101849 /nfs/dbraw/zinc/10/18/49/484101849.db2.gz VCLSHBSDFKRJCT-INIZCTEOSA-N 2 1 362.478 -0.141 20 0 FBADMP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000509340412 484101093 /nfs/dbraw/zinc/10/10/93/484101093.db2.gz VCLSHBSDFKRJCT-MRXNPFEDSA-N 2 1 362.478 -0.141 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000509393302 484102628 /nfs/dbraw/zinc/10/26/28/484102628.db2.gz PDGKXXCXQKGAOD-UHFFFAOYSA-N 2 1 369.510 -0.096 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000509711716 484110259 /nfs/dbraw/zinc/11/02/59/484110259.db2.gz GINOABBMUAFKTK-INIZCTEOSA-N 2 1 370.494 -0.748 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000509711716 484110255 /nfs/dbraw/zinc/11/02/55/484110255.db2.gz GINOABBMUAFKTK-INIZCTEOSA-N 2 1 370.494 -0.748 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000509711718 484110850 /nfs/dbraw/zinc/11/08/50/484110850.db2.gz GINOABBMUAFKTK-MRXNPFEDSA-N 2 1 370.494 -0.748 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000509711718 484110843 /nfs/dbraw/zinc/11/08/43/484110843.db2.gz GINOABBMUAFKTK-MRXNPFEDSA-N 2 1 370.494 -0.748 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000509714140 484109990 /nfs/dbraw/zinc/10/99/90/484109990.db2.gz RRXDHBPDKUGOQB-UHFFFAOYSA-N 2 1 357.499 -0.240 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000509717289 484110901 /nfs/dbraw/zinc/11/09/01/484110901.db2.gz UTVLMDVOOFZDGM-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000509717289 484110894 /nfs/dbraw/zinc/11/08/94/484110894.db2.gz UTVLMDVOOFZDGM-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000509717289 484110888 /nfs/dbraw/zinc/11/08/88/484110888.db2.gz UTVLMDVOOFZDGM-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000509717289 484110879 /nfs/dbraw/zinc/11/08/79/484110879.db2.gz UTVLMDVOOFZDGM-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000509717290 484109957 /nfs/dbraw/zinc/10/99/57/484109957.db2.gz UTVLMDVOOFZDGM-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000509717290 484109953 /nfs/dbraw/zinc/10/99/53/484109953.db2.gz UTVLMDVOOFZDGM-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000509717290 484109950 /nfs/dbraw/zinc/10/99/50/484109950.db2.gz UTVLMDVOOFZDGM-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000509717290 484109946 /nfs/dbraw/zinc/10/99/46/484109946.db2.gz UTVLMDVOOFZDGM-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000509718900 484109586 /nfs/dbraw/zinc/10/95/86/484109586.db2.gz ZYFAIMLRDBIUMY-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000509718900 484109578 /nfs/dbraw/zinc/10/95/78/484109578.db2.gz ZYFAIMLRDBIUMY-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000509724149 484111359 /nfs/dbraw/zinc/11/13/59/484111359.db2.gz JNVHHSRWLFXQPD-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000509724149 484111352 /nfs/dbraw/zinc/11/13/52/484111352.db2.gz JNVHHSRWLFXQPD-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000509724149 484111347 /nfs/dbraw/zinc/11/13/47/484111347.db2.gz JNVHHSRWLFXQPD-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000509724149 484111341 /nfs/dbraw/zinc/11/13/41/484111341.db2.gz JNVHHSRWLFXQPD-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000509724150 484110399 /nfs/dbraw/zinc/11/03/99/484110399.db2.gz JNVHHSRWLFXQPD-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000509724150 484110393 /nfs/dbraw/zinc/11/03/93/484110393.db2.gz JNVHHSRWLFXQPD-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000509724150 484110385 /nfs/dbraw/zinc/11/03/85/484110385.db2.gz JNVHHSRWLFXQPD-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000509724150 484110379 /nfs/dbraw/zinc/11/03/79/484110379.db2.gz JNVHHSRWLFXQPD-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000509784287 484113911 /nfs/dbraw/zinc/11/39/11/484113911.db2.gz WVAQFLHBNLNGPE-HIFRSBDPSA-N 2 1 355.483 -0.855 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000509784288 484114403 /nfs/dbraw/zinc/11/44/03/484114403.db2.gz WVAQFLHBNLNGPE-ZFWWWQNUSA-N 2 1 355.483 -0.855 20 0 FBADMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)C[C@H](C)O)CC1)C[C@H](C)O ZINC000510106943 484121384 /nfs/dbraw/zinc/12/13/84/484121384.db2.gz WKKQFDLFONWFOJ-HOTGVXAUSA-N 2 1 372.510 -0.937 20 0 FBADMP CS(=O)(=O)NCC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510166793 484122889 /nfs/dbraw/zinc/12/28/89/484122889.db2.gz BPGFEDHDQIORRJ-UHFFFAOYSA-N 2 1 372.535 -0.009 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000510189988 484123186 /nfs/dbraw/zinc/12/31/86/484123186.db2.gz CDJFOBFVTWJKTH-UHFFFAOYSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2 ZINC000510500573 484133486 /nfs/dbraw/zinc/13/34/86/484133486.db2.gz LEZKYNVAKJCOQP-KRWWSPQJSA-N 2 1 369.510 -0.318 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@](C)(O)C[NH+](C)C)C2 ZINC000510500577 484133575 /nfs/dbraw/zinc/13/35/75/484133575.db2.gz LEZKYNVAKJCOQP-MUSFGAPCSA-N 2 1 369.510 -0.318 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000511125741 484149267 /nfs/dbraw/zinc/14/92/67/484149267.db2.gz WHBJEEPFEUEMHO-HNNXBMFYSA-N 2 1 360.524 -0.246 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000511125741 484149258 /nfs/dbraw/zinc/14/92/58/484149258.db2.gz WHBJEEPFEUEMHO-HNNXBMFYSA-N 2 1 360.524 -0.246 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000511125742 484148889 /nfs/dbraw/zinc/14/88/89/484148889.db2.gz WHBJEEPFEUEMHO-OAHLLOKOSA-N 2 1 360.524 -0.246 20 0 FBADMP CN(C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000511125742 484148885 /nfs/dbraw/zinc/14/88/85/484148885.db2.gz WHBJEEPFEUEMHO-OAHLLOKOSA-N 2 1 360.524 -0.246 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000511569567 484163458 /nfs/dbraw/zinc/16/34/58/484163458.db2.gz FJRUQWHZJCMSHS-AWEZNQCLSA-N 2 1 360.524 -0.024 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000511569567 484163453 /nfs/dbraw/zinc/16/34/53/484163453.db2.gz FJRUQWHZJCMSHS-AWEZNQCLSA-N 2 1 360.524 -0.024 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000511569568 484163173 /nfs/dbraw/zinc/16/31/73/484163173.db2.gz FJRUQWHZJCMSHS-CQSZACIVSA-N 2 1 360.524 -0.024 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000511569568 484163167 /nfs/dbraw/zinc/16/31/67/484163167.db2.gz FJRUQWHZJCMSHS-CQSZACIVSA-N 2 1 360.524 -0.024 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000512242216 484179387 /nfs/dbraw/zinc/17/93/87/484179387.db2.gz HICOHKYOAPOAAL-HNNXBMFYSA-N 2 1 357.499 -0.411 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000512242231 484179409 /nfs/dbraw/zinc/17/94/09/484179409.db2.gz HICOHKYOAPOAAL-OAHLLOKOSA-N 2 1 357.499 -0.411 20 0 FBADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244106 484179012 /nfs/dbraw/zinc/17/90/12/484179012.db2.gz QNCFLGGIQOKGQJ-HNNXBMFYSA-N 2 1 371.526 -0.021 20 0 FBADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244107 484179343 /nfs/dbraw/zinc/17/93/43/484179343.db2.gz QNCFLGGIQOKGQJ-OAHLLOKOSA-N 2 1 371.526 -0.021 20 0 FBADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246674 484179270 /nfs/dbraw/zinc/17/92/70/484179270.db2.gz ZICTVYFQQFATNS-AWEZNQCLSA-N 2 1 355.483 -0.657 20 0 FBADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246680 484180322 /nfs/dbraw/zinc/18/03/22/484180322.db2.gz ZICTVYFQQFATNS-CQSZACIVSA-N 2 1 355.483 -0.657 20 0 FBADMP COCC[NH+](CCOC)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000512829943 484197811 /nfs/dbraw/zinc/19/78/11/484197811.db2.gz YAYLTQPWJOZWQK-UHFFFAOYSA-N 2 1 356.511 -0.180 20 0 FBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000512849834 484197407 /nfs/dbraw/zinc/19/74/07/484197407.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000512849834 484197404 /nfs/dbraw/zinc/19/74/04/484197404.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000512849834 484197402 /nfs/dbraw/zinc/19/74/02/484197402.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000512849835 484197464 /nfs/dbraw/zinc/19/74/64/484197464.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512849835 484197461 /nfs/dbraw/zinc/19/74/61/484197461.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000512849835 484197459 /nfs/dbraw/zinc/19/74/59/484197459.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 2 1 353.511 -0.134 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[NH+]1CCCC1 ZINC000513103076 484202360 /nfs/dbraw/zinc/20/23/60/484202360.db2.gz QJCQNUSHIQLOIV-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[NH+]1CCCC1 ZINC000513103077 484202290 /nfs/dbraw/zinc/20/22/90/484202290.db2.gz QJCQNUSHIQLOIV-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236096 484205307 /nfs/dbraw/zinc/20/53/07/484205307.db2.gz URYMRHWQWDZZRR-CABCVRRESA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236097 484206184 /nfs/dbraw/zinc/20/61/84/484206184.db2.gz URYMRHWQWDZZRR-GJZGRUSLSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236098 484205321 /nfs/dbraw/zinc/20/53/21/484205321.db2.gz URYMRHWQWDZZRR-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236099 484205483 /nfs/dbraw/zinc/20/54/83/484205483.db2.gz URYMRHWQWDZZRR-LSDHHAIUSA-N 2 1 360.524 -0.152 20 0 FBADMP CO[C@@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](C)OC)CC1 ZINC000513236835 484205461 /nfs/dbraw/zinc/20/54/61/484205461.db2.gz PHPQJPGIJPKYHQ-HOTGVXAUSA-N 2 1 372.510 -0.409 20 0 FBADMP CO[C@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H](C)OC)CC1 ZINC000513236836 484206516 /nfs/dbraw/zinc/20/65/16/484206516.db2.gz PHPQJPGIJPKYHQ-HZPDHXFCSA-N 2 1 372.510 -0.409 20 0 FBADMP CCC(CC)(NC(=O)C1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C1)C(N)=O ZINC000513260968 484205930 /nfs/dbraw/zinc/20/59/30/484205930.db2.gz KZHPVRWJWLNZBZ-UHFFFAOYSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000513463652 484212150 /nfs/dbraw/zinc/21/21/50/484212150.db2.gz OUPFNRCWXKQBEV-AWEZNQCLSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000513463653 484211912 /nfs/dbraw/zinc/21/19/12/484211912.db2.gz OUPFNRCWXKQBEV-CQSZACIVSA-N 2 1 356.511 -0.006 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCN1CCOCC1 ZINC000513916706 484222726 /nfs/dbraw/zinc/22/27/26/484222726.db2.gz LQXWWESUQGGVPI-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCN1CCOCC1 ZINC000513916707 484223890 /nfs/dbraw/zinc/22/38/90/484223890.db2.gz LQXWWESUQGGVPI-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CCOC(=O)CNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514083354 484296587 /nfs/dbraw/zinc/29/65/87/484296587.db2.gz MSESCKIOUCMJTG-UHFFFAOYSA-N 2 1 368.478 -0.458 20 0 FBADMP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514083461 484298633 /nfs/dbraw/zinc/29/86/33/484298633.db2.gz NKJRWPVXQMLKGJ-UHFFFAOYSA-N 3 1 353.511 -0.460 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514216015 485276303 /nfs/dbraw/zinc/27/63/03/485276303.db2.gz YKBSQYXGQRSTIR-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609394 484530122 /nfs/dbraw/zinc/53/01/22/484530122.db2.gz GMRZWSGUEQJDOM-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609394 484530120 /nfs/dbraw/zinc/53/01/20/484530120.db2.gz GMRZWSGUEQJDOM-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609394 484530115 /nfs/dbraw/zinc/53/01/15/484530115.db2.gz GMRZWSGUEQJDOM-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609395 484529930 /nfs/dbraw/zinc/52/99/30/484529930.db2.gz GMRZWSGUEQJDOM-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609395 484529926 /nfs/dbraw/zinc/52/99/26/484529926.db2.gz GMRZWSGUEQJDOM-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609395 484529923 /nfs/dbraw/zinc/52/99/23/484529923.db2.gz GMRZWSGUEQJDOM-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609396 484529906 /nfs/dbraw/zinc/52/99/06/484529906.db2.gz GMRZWSGUEQJDOM-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000514609396 484529902 /nfs/dbraw/zinc/52/99/02/484529902.db2.gz GMRZWSGUEQJDOM-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609396 484529900 /nfs/dbraw/zinc/52/99/00/484529900.db2.gz GMRZWSGUEQJDOM-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000514722583 485278755 /nfs/dbraw/zinc/27/87/55/485278755.db2.gz QNVIVSGAQPDYMW-FZKCQIBNSA-N 2 1 353.511 -0.430 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000514722584 485278718 /nfs/dbraw/zinc/27/87/18/485278718.db2.gz QNVIVSGAQPDYMW-QKPAOTATSA-N 2 1 353.511 -0.430 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000514722585 485278540 /nfs/dbraw/zinc/27/85/40/485278540.db2.gz QNVIVSGAQPDYMW-QXSJWSMHSA-N 2 1 353.511 -0.430 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000514722586 485278902 /nfs/dbraw/zinc/27/89/02/485278902.db2.gz QNVIVSGAQPDYMW-XUWVNRHRSA-N 2 1 353.511 -0.430 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000514735964 485278747 /nfs/dbraw/zinc/27/87/47/485278747.db2.gz GUUKWAICUMFPIR-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)C[C@H]2[NH3+])cn1 ZINC000514789053 485279474 /nfs/dbraw/zinc/27/94/74/485279474.db2.gz UAKJXZDKWUVXRA-ARLBYUKCSA-N 2 1 360.462 -0.774 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000514789054 485279552 /nfs/dbraw/zinc/27/95/52/485279552.db2.gz UAKJXZDKWUVXRA-BVUBDWEXSA-N 2 1 360.462 -0.774 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000514789055 485279700 /nfs/dbraw/zinc/27/97/00/485279700.db2.gz UAKJXZDKWUVXRA-HNKHHVNMSA-N 2 1 360.462 -0.774 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)C[C@H]2[NH3+])cn1 ZINC000514789056 485279815 /nfs/dbraw/zinc/27/98/15/485279815.db2.gz UAKJXZDKWUVXRA-SLBVQIDZSA-N 2 1 360.462 -0.774 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000514825139 485280966 /nfs/dbraw/zinc/28/09/66/485280966.db2.gz VMIYMYYZFSKTNE-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000514825139 485280962 /nfs/dbraw/zinc/28/09/62/485280962.db2.gz VMIYMYYZFSKTNE-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000514825140 485280901 /nfs/dbraw/zinc/28/09/01/485280901.db2.gz VMIYMYYZFSKTNE-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000514825140 485280895 /nfs/dbraw/zinc/28/08/95/485280895.db2.gz VMIYMYYZFSKTNE-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000514825141 485280981 /nfs/dbraw/zinc/28/09/81/485280981.db2.gz VMIYMYYZFSKTNE-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000514825141 485280978 /nfs/dbraw/zinc/28/09/78/485280978.db2.gz VMIYMYYZFSKTNE-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000514825142 485280759 /nfs/dbraw/zinc/28/07/59/485280759.db2.gz VMIYMYYZFSKTNE-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000514825142 485280754 /nfs/dbraw/zinc/28/07/54/485280754.db2.gz VMIYMYYZFSKTNE-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000514825756 485281195 /nfs/dbraw/zinc/28/11/95/485281195.db2.gz JFXCUNJAHXLDEY-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000514825756 485281190 /nfs/dbraw/zinc/28/11/90/485281190.db2.gz JFXCUNJAHXLDEY-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000514825757 485280498 /nfs/dbraw/zinc/28/04/98/485280498.db2.gz JFXCUNJAHXLDEY-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000514825757 485280491 /nfs/dbraw/zinc/28/04/91/485280491.db2.gz JFXCUNJAHXLDEY-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP [NH3+]C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000514858045 485281761 /nfs/dbraw/zinc/28/17/61/485281761.db2.gz MFDPYCSBUGNMGH-HNNXBMFYSA-N 2 1 352.460 -0.825 20 0 FBADMP [NH3+]C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000514858046 485282520 /nfs/dbraw/zinc/28/25/20/485282520.db2.gz MFDPYCSBUGNMGH-OAHLLOKOSA-N 2 1 352.460 -0.825 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000514919368 485283124 /nfs/dbraw/zinc/28/31/24/485283124.db2.gz DAXNNACMTAMWLT-UHFFFAOYSA-N 2 1 352.479 -0.136 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000514919368 485283117 /nfs/dbraw/zinc/28/31/17/485283117.db2.gz DAXNNACMTAMWLT-UHFFFAOYSA-N 2 1 352.479 -0.136 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000514925479 485285080 /nfs/dbraw/zinc/28/50/80/485285080.db2.gz OTZGISWXCMGZIA-DLBZAZTESA-N 2 1 359.474 -0.522 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000514925480 485284907 /nfs/dbraw/zinc/28/49/07/485284907.db2.gz OTZGISWXCMGZIA-IAGOWNOFSA-N 2 1 359.474 -0.522 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000514925481 485284596 /nfs/dbraw/zinc/28/45/96/485284596.db2.gz OTZGISWXCMGZIA-IRXDYDNUSA-N 2 1 359.474 -0.522 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000514925482 485284652 /nfs/dbraw/zinc/28/46/52/485284652.db2.gz OTZGISWXCMGZIA-SJORKVTESA-N 2 1 359.474 -0.522 20 0 FBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000514937078 485285425 /nfs/dbraw/zinc/28/54/25/485285425.db2.gz GNJCMRHIQBOEBZ-GPANFISMSA-N 2 1 351.495 -0.423 20 0 FBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000514937079 485285799 /nfs/dbraw/zinc/28/57/99/485285799.db2.gz GNJCMRHIQBOEBZ-UYSNPLJNSA-N 2 1 351.495 -0.423 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000515053552 485287112 /nfs/dbraw/zinc/28/71/12/485287112.db2.gz PHNAQFDQQMDLQY-BRWVUGGUSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000515053553 485286566 /nfs/dbraw/zinc/28/65/66/485286566.db2.gz PHNAQFDQQMDLQY-IKGGRYGDSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000515053554 485287495 /nfs/dbraw/zinc/28/74/95/485287495.db2.gz PHNAQFDQQMDLQY-IXDOHACOSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000515053555 485287808 /nfs/dbraw/zinc/28/78/08/485287808.db2.gz PHNAQFDQQMDLQY-ZACQAIPSSA-N 2 1 363.506 -0.565 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000515059606 485287824 /nfs/dbraw/zinc/28/78/24/485287824.db2.gz ZJVOUGALKYDHFR-HNNXBMFYSA-N 2 1 367.494 -0.887 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000515059607 485287503 /nfs/dbraw/zinc/28/75/03/485287503.db2.gz ZJVOUGALKYDHFR-OAHLLOKOSA-N 2 1 367.494 -0.887 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000515078167 485288146 /nfs/dbraw/zinc/28/81/46/485288146.db2.gz XUQRLBASGPYTHB-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000515078168 485288063 /nfs/dbraw/zinc/28/80/63/485288063.db2.gz XUQRLBASGPYTHB-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000515078169 485287714 /nfs/dbraw/zinc/28/77/14/485287714.db2.gz XUQRLBASGPYTHB-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000515078170 485288115 /nfs/dbraw/zinc/28/81/15/485288115.db2.gz XUQRLBASGPYTHB-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000515168965 485289966 /nfs/dbraw/zinc/28/99/66/485289966.db2.gz MEQOONCNIJPPRP-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000515168966 485290212 /nfs/dbraw/zinc/29/02/12/485290212.db2.gz MEQOONCNIJPPRP-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352145 485296289 /nfs/dbraw/zinc/29/62/89/485296289.db2.gz FDXRCWFXRJZCCL-ILXRZTDVSA-N 2 1 352.479 -0.214 20 0 FBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352146 485295609 /nfs/dbraw/zinc/29/56/09/485295609.db2.gz FDXRCWFXRJZCCL-KFWWJZLASA-N 2 1 352.479 -0.214 20 0 FBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352147 485295520 /nfs/dbraw/zinc/29/55/20/485295520.db2.gz FDXRCWFXRJZCCL-QLFBSQMISA-N 2 1 352.479 -0.214 20 0 FBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352148 485295958 /nfs/dbraw/zinc/29/59/58/485295958.db2.gz FDXRCWFXRJZCCL-RBSFLKMASA-N 2 1 352.479 -0.214 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC12CCOCC2 ZINC000515352210 485295926 /nfs/dbraw/zinc/29/59/26/485295926.db2.gz KCGVLRYAMMBIFA-INIZCTEOSA-N 2 1 374.489 -0.188 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC12CCOCC2 ZINC000515352210 485295922 /nfs/dbraw/zinc/29/59/22/485295922.db2.gz KCGVLRYAMMBIFA-INIZCTEOSA-N 2 1 374.489 -0.188 20 0 FBADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC12CCOCC2 ZINC000515352211 485295722 /nfs/dbraw/zinc/29/57/22/485295722.db2.gz KCGVLRYAMMBIFA-MRXNPFEDSA-N 2 1 374.489 -0.188 20 0 FBADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC12CCOCC2 ZINC000515352211 485295717 /nfs/dbraw/zinc/29/57/17/485295717.db2.gz KCGVLRYAMMBIFA-MRXNPFEDSA-N 2 1 374.489 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358974 485296352 /nfs/dbraw/zinc/29/63/52/485296352.db2.gz DSTSRLQDNGWPIW-PBHICJAKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358974 485296346 /nfs/dbraw/zinc/29/63/46/485296346.db2.gz DSTSRLQDNGWPIW-PBHICJAKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358975 485295690 /nfs/dbraw/zinc/29/56/90/485295690.db2.gz DSTSRLQDNGWPIW-RHSMWYFYSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358975 485295686 /nfs/dbraw/zinc/29/56/86/485295686.db2.gz DSTSRLQDNGWPIW-RHSMWYFYSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358976 485295548 /nfs/dbraw/zinc/29/55/48/485295548.db2.gz DSTSRLQDNGWPIW-WMLDXEAASA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358976 485295544 /nfs/dbraw/zinc/29/55/44/485295544.db2.gz DSTSRLQDNGWPIW-WMLDXEAASA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358977 485296165 /nfs/dbraw/zinc/29/61/65/485296165.db2.gz DSTSRLQDNGWPIW-YOEHRIQHSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000515358977 485296160 /nfs/dbraw/zinc/29/61/60/485296160.db2.gz DSTSRLQDNGWPIW-YOEHRIQHSA-N 2 1 364.490 -0.092 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383721 485295777 /nfs/dbraw/zinc/29/57/77/485295777.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383721 485295774 /nfs/dbraw/zinc/29/57/74/485295774.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383721 485295772 /nfs/dbraw/zinc/29/57/72/485295772.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 3 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383722 485295739 /nfs/dbraw/zinc/29/57/39/485295739.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383722 485295737 /nfs/dbraw/zinc/29/57/37/485295737.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383722 485295734 /nfs/dbraw/zinc/29/57/34/485295734.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 3 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383723 485295982 /nfs/dbraw/zinc/29/59/82/485295982.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383723 485295981 /nfs/dbraw/zinc/29/59/81/485295981.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383723 485295978 /nfs/dbraw/zinc/29/59/78/485295978.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 3 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383724 485296061 /nfs/dbraw/zinc/29/60/61/485296061.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383724 485296056 /nfs/dbraw/zinc/29/60/56/485296056.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 2 1 351.495 -0.673 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383724 485296054 /nfs/dbraw/zinc/29/60/54/485296054.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 3 1 351.495 -0.673 20 0 FBADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000515671255 485303402 /nfs/dbraw/zinc/30/34/02/485303402.db2.gz BZXXDJAXNQFZKZ-MSOLQXFVSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000515671256 485303678 /nfs/dbraw/zinc/30/36/78/485303678.db2.gz BZXXDJAXNQFZKZ-QZTJIDSGSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@H]1C[C@H]2CN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000515671257 485304164 /nfs/dbraw/zinc/30/41/64/485304164.db2.gz BZXXDJAXNQFZKZ-ROUUACIJSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000515671258 485303323 /nfs/dbraw/zinc/30/33/23/485303323.db2.gz BZXXDJAXNQFZKZ-ZWKOTPCHSA-N 2 1 371.485 -0.425 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515922308 485309506 /nfs/dbraw/zinc/30/95/06/485309506.db2.gz RLWMNLTZYWLNNY-ATZDWAIDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000515922308 485309501 /nfs/dbraw/zinc/30/95/01/485309501.db2.gz RLWMNLTZYWLNNY-ATZDWAIDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000515922308 485309498 /nfs/dbraw/zinc/30/94/98/485309498.db2.gz RLWMNLTZYWLNNY-ATZDWAIDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515922309 485309113 /nfs/dbraw/zinc/30/91/13/485309113.db2.gz RLWMNLTZYWLNNY-AYOQOUSVSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000515922309 485309110 /nfs/dbraw/zinc/30/91/10/485309110.db2.gz RLWMNLTZYWLNNY-AYOQOUSVSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000515922309 485309108 /nfs/dbraw/zinc/30/91/08/485309108.db2.gz RLWMNLTZYWLNNY-AYOQOUSVSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515922310 485309254 /nfs/dbraw/zinc/30/92/54/485309254.db2.gz RLWMNLTZYWLNNY-LZQZEXGQSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515922310 485309250 /nfs/dbraw/zinc/30/92/50/485309250.db2.gz RLWMNLTZYWLNNY-LZQZEXGQSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000515922310 485309247 /nfs/dbraw/zinc/30/92/47/485309247.db2.gz RLWMNLTZYWLNNY-LZQZEXGQSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515922311 485309275 /nfs/dbraw/zinc/30/92/75/485309275.db2.gz RLWMNLTZYWLNNY-MNEFBYGVSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515922311 485309269 /nfs/dbraw/zinc/30/92/69/485309269.db2.gz RLWMNLTZYWLNNY-MNEFBYGVSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000515922311 485309262 /nfs/dbraw/zinc/30/92/62/485309262.db2.gz RLWMNLTZYWLNNY-MNEFBYGVSA-N 2 1 354.539 -0.097 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000516030207 485310490 /nfs/dbraw/zinc/31/04/90/485310490.db2.gz ZKPDRNCUXYPDBK-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000516030208 485310395 /nfs/dbraw/zinc/31/03/95/485310395.db2.gz ZKPDRNCUXYPDBK-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516059852 485311145 /nfs/dbraw/zinc/31/11/45/485311145.db2.gz QALXGXVYKLMRCA-INIZCTEOSA-N 2 1 353.511 -0.366 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516059853 485311339 /nfs/dbraw/zinc/31/13/39/485311339.db2.gz QALXGXVYKLMRCA-MRXNPFEDSA-N 2 1 353.511 -0.366 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000516166908 485313166 /nfs/dbraw/zinc/31/31/66/485313166.db2.gz AIKYBXLNMPBCSO-UHFFFAOYSA-N 2 1 371.507 -0.733 20 0 FBADMP CC1=CC[N@H+](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000516166908 485313163 /nfs/dbraw/zinc/31/31/63/485313163.db2.gz AIKYBXLNMPBCSO-UHFFFAOYSA-N 2 1 371.507 -0.733 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000516174596 485313870 /nfs/dbraw/zinc/31/38/70/485313870.db2.gz GKALQOYXTVYBAU-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000516207958 485314288 /nfs/dbraw/zinc/31/42/88/485314288.db2.gz MLSLUNPHKZVHNW-UHFFFAOYSA-N 2 1 367.475 -0.498 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000516433369 485317969 /nfs/dbraw/zinc/31/79/69/485317969.db2.gz PWZGMIUJTWRIQM-DLBZAZTESA-N 2 1 352.527 -0.299 20 0 FBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000516433370 485318288 /nfs/dbraw/zinc/31/82/88/485318288.db2.gz PWZGMIUJTWRIQM-IAGOWNOFSA-N 2 1 352.527 -0.299 20 0 FBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000516433371 485318303 /nfs/dbraw/zinc/31/83/03/485318303.db2.gz PWZGMIUJTWRIQM-IRXDYDNUSA-N 2 1 352.527 -0.299 20 0 FBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000516433372 485317733 /nfs/dbraw/zinc/31/77/33/485317733.db2.gz PWZGMIUJTWRIQM-SJORKVTESA-N 2 1 352.527 -0.299 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000516556887 485320868 /nfs/dbraw/zinc/32/08/68/485320868.db2.gz WFBFZZHQSAPZRK-KRWDZBQOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000516556888 485320958 /nfs/dbraw/zinc/32/09/58/485320958.db2.gz WFBFZZHQSAPZRK-QGZVFWFLSA-N 2 1 367.538 -0.071 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000516624681 484177810 /nfs/dbraw/zinc/17/78/10/484177810.db2.gz HUILEKLLDJILCZ-UHFFFAOYSA-N 2 1 353.448 -0.193 20 0 FBADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000516635424 484229296 /nfs/dbraw/zinc/22/92/96/484229296.db2.gz YJEKISXILCYLBB-KRWDZBQOSA-N 2 1 361.490 -0.144 20 0 FBADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000516635425 484229148 /nfs/dbraw/zinc/22/91/48/484229148.db2.gz YJEKISXILCYLBB-QGZVFWFLSA-N 2 1 361.490 -0.144 20 0 FBADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000516679456 484924529 /nfs/dbraw/zinc/92/45/29/484924529.db2.gz OQLOFLMFFVHDLA-CQSZACIVSA-N 2 1 358.508 -0.446 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000516856857 484242771 /nfs/dbraw/zinc/24/27/71/484242771.db2.gz DHFJKUOTGOCRGD-OWCLPIDISA-N 2 1 367.538 -0.040 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000516856858 484241661 /nfs/dbraw/zinc/24/16/61/484241661.db2.gz DHFJKUOTGOCRGD-XHSDSOJGSA-N 2 1 367.538 -0.040 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516879310 484244375 /nfs/dbraw/zinc/24/43/75/484244375.db2.gz XAXVLGUKUMOFJL-BHYGNILZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516879310 484244371 /nfs/dbraw/zinc/24/43/71/484244371.db2.gz XAXVLGUKUMOFJL-BHYGNILZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516879311 484243534 /nfs/dbraw/zinc/24/35/34/484243534.db2.gz XAXVLGUKUMOFJL-HYVNUMGLSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516879311 484243529 /nfs/dbraw/zinc/24/35/29/484243529.db2.gz XAXVLGUKUMOFJL-HYVNUMGLSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516879312 484243616 /nfs/dbraw/zinc/24/36/16/484243616.db2.gz XAXVLGUKUMOFJL-PVAVHDDUSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516879312 484243608 /nfs/dbraw/zinc/24/36/08/484243608.db2.gz XAXVLGUKUMOFJL-PVAVHDDUSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516879313 484244040 /nfs/dbraw/zinc/24/40/40/484244040.db2.gz XAXVLGUKUMOFJL-XIRDDKMYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516879313 484244033 /nfs/dbraw/zinc/24/40/33/484244033.db2.gz XAXVLGUKUMOFJL-XIRDDKMYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000516912949 484245088 /nfs/dbraw/zinc/24/50/88/484245088.db2.gz XANRGLHTCAIZSL-GOSISDBHSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000516912950 484245363 /nfs/dbraw/zinc/24/53/63/484245363.db2.gz XANRGLHTCAIZSL-SFHVURJKSA-N 3 1 353.511 -0.508 20 0 FBADMP CN1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000516917152 484246432 /nfs/dbraw/zinc/24/64/32/484246432.db2.gz DZKLTIDVALEKAD-KRWDZBQOSA-N 2 1 359.474 -0.738 20 0 FBADMP CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000516917152 484246424 /nfs/dbraw/zinc/24/64/24/484246424.db2.gz DZKLTIDVALEKAD-KRWDZBQOSA-N 2 1 359.474 -0.738 20 0 FBADMP CN1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000516917153 484245209 /nfs/dbraw/zinc/24/52/09/484245209.db2.gz DZKLTIDVALEKAD-QGZVFWFLSA-N 2 1 359.474 -0.738 20 0 FBADMP CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000516917153 484245204 /nfs/dbraw/zinc/24/52/04/484245204.db2.gz DZKLTIDVALEKAD-QGZVFWFLSA-N 2 1 359.474 -0.738 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516960185 484248238 /nfs/dbraw/zinc/24/82/38/484248238.db2.gz XKGNFQQAHVWDHJ-BBWFWOEESA-N 2 1 359.474 -0.351 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000516960186 484247277 /nfs/dbraw/zinc/24/72/77/484247277.db2.gz XKGNFQQAHVWDHJ-BRWVUGGUSA-N 2 1 359.474 -0.351 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516960187 484247037 /nfs/dbraw/zinc/24/70/37/484247037.db2.gz XKGNFQQAHVWDHJ-GVDBMIGSSA-N 2 1 359.474 -0.351 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000516960188 484247857 /nfs/dbraw/zinc/24/78/57/484247857.db2.gz XKGNFQQAHVWDHJ-ZACQAIPSSA-N 2 1 359.474 -0.351 20 0 FBADMP [NH3+]CCCn1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000516968061 484248946 /nfs/dbraw/zinc/24/89/46/484248946.db2.gz AYMIWNDNTLTOCO-UHFFFAOYSA-N 2 1 373.465 -0.641 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000517024849 484250823 /nfs/dbraw/zinc/25/08/23/484250823.db2.gz ICAVIGBWOBYHIX-LLLHUVSDSA-N 2 1 374.489 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C[C@H]2[NH3+])cn1 ZINC000517024850 484250411 /nfs/dbraw/zinc/25/04/11/484250411.db2.gz ICAVIGBWOBYHIX-QMCVQRASSA-N 2 1 374.489 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000517024851 484250930 /nfs/dbraw/zinc/25/09/30/484250930.db2.gz ICAVIGBWOBYHIX-XBVQOTNRSA-N 2 1 374.489 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C[C@H]2[NH3+])cn1 ZINC000517024852 484250287 /nfs/dbraw/zinc/25/02/87/484250287.db2.gz ICAVIGBWOBYHIX-XLNGHYISSA-N 2 1 374.489 -0.384 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000517078708 484254123 /nfs/dbraw/zinc/25/41/23/484254123.db2.gz BTFGHPPGHPKWCO-INIZCTEOSA-N 2 1 369.510 -0.015 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000517078712 484254056 /nfs/dbraw/zinc/25/40/56/484254056.db2.gz BTFGHPPGHPKWCO-MRXNPFEDSA-N 2 1 369.510 -0.015 20 0 FBADMP [NH3+][C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000517100312 484253951 /nfs/dbraw/zinc/25/39/51/484253951.db2.gz RDRYYQJEUMAETO-HNNXBMFYSA-N 2 1 367.475 -0.685 20 0 FBADMP [NH3+][C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000517100317 484254521 /nfs/dbraw/zinc/25/45/21/484254521.db2.gz RDRYYQJEUMAETO-OAHLLOKOSA-N 2 1 367.475 -0.685 20 0 FBADMP C[NH2+]C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000517147039 484256815 /nfs/dbraw/zinc/25/68/15/484256815.db2.gz USJYYNVHEURDJZ-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000517147042 484256912 /nfs/dbraw/zinc/25/69/12/484256912.db2.gz USJYYNVHEURDJZ-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000517356180 484263617 /nfs/dbraw/zinc/26/36/17/484263617.db2.gz GPOPJXLAPMWJDE-BARDWOONSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000517356180 484263611 /nfs/dbraw/zinc/26/36/11/484263611.db2.gz GPOPJXLAPMWJDE-BARDWOONSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000517356181 484264074 /nfs/dbraw/zinc/26/40/74/484264074.db2.gz GPOPJXLAPMWJDE-CBBWQLFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000517356181 484264068 /nfs/dbraw/zinc/26/40/68/484264068.db2.gz GPOPJXLAPMWJDE-CBBWQLFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000517356182 484263389 /nfs/dbraw/zinc/26/33/89/484263389.db2.gz GPOPJXLAPMWJDE-LXTVHRRPSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000517356182 484263379 /nfs/dbraw/zinc/26/33/79/484263379.db2.gz GPOPJXLAPMWJDE-LXTVHRRPSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000517356183 484263319 /nfs/dbraw/zinc/26/33/19/484263319.db2.gz GPOPJXLAPMWJDE-QPSCCSFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000517356183 484263315 /nfs/dbraw/zinc/26/33/15/484263315.db2.gz GPOPJXLAPMWJDE-QPSCCSFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371403 484264268 /nfs/dbraw/zinc/26/42/68/484264268.db2.gz UVZGCTOUNYRILT-CABCVRRESA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371404 484264118 /nfs/dbraw/zinc/26/41/18/484264118.db2.gz UVZGCTOUNYRILT-GJZGRUSLSA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371405 484263589 /nfs/dbraw/zinc/26/35/89/484263589.db2.gz UVZGCTOUNYRILT-HUUCEWRRSA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371408 484264206 /nfs/dbraw/zinc/26/42/06/484264206.db2.gz UVZGCTOUNYRILT-LSDHHAIUSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000517405480 484266145 /nfs/dbraw/zinc/26/61/45/484266145.db2.gz NKJHCVOCDPRZLA-CABCVRRESA-N 2 1 354.499 -0.739 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000517405481 484264918 /nfs/dbraw/zinc/26/49/18/484264918.db2.gz NKJHCVOCDPRZLA-GJZGRUSLSA-N 2 1 354.499 -0.739 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000517405482 484265705 /nfs/dbraw/zinc/26/57/05/484265705.db2.gz NKJHCVOCDPRZLA-HUUCEWRRSA-N 2 1 354.499 -0.739 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000517405483 484266163 /nfs/dbraw/zinc/26/61/63/484266163.db2.gz NKJHCVOCDPRZLA-LSDHHAIUSA-N 2 1 354.499 -0.739 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000517554187 484270601 /nfs/dbraw/zinc/27/06/01/484270601.db2.gz UVJBVAACROFYIY-BEFAXECRSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000517554187 484270596 /nfs/dbraw/zinc/27/05/96/484270596.db2.gz UVJBVAACROFYIY-BEFAXECRSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000517554189 484269921 /nfs/dbraw/zinc/26/99/21/484269921.db2.gz UVJBVAACROFYIY-DNVCBOLYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000517554189 484269916 /nfs/dbraw/zinc/26/99/16/484269916.db2.gz UVJBVAACROFYIY-DNVCBOLYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000517554190 484270445 /nfs/dbraw/zinc/27/04/45/484270445.db2.gz UVJBVAACROFYIY-HNAYVOBHSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000517554190 484270439 /nfs/dbraw/zinc/27/04/39/484270439.db2.gz UVJBVAACROFYIY-HNAYVOBHSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000517554192 484270328 /nfs/dbraw/zinc/27/03/28/484270328.db2.gz UVJBVAACROFYIY-KXBFYZLASA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000517554192 484270321 /nfs/dbraw/zinc/27/03/21/484270321.db2.gz UVJBVAACROFYIY-KXBFYZLASA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000517625608 484271118 /nfs/dbraw/zinc/27/11/18/484271118.db2.gz DLEBSHJJNFTYNG-AWEZNQCLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@H+](C)CC1 ZINC000517625608 484271112 /nfs/dbraw/zinc/27/11/12/484271112.db2.gz DLEBSHJJNFTYNG-AWEZNQCLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000517625609 484271970 /nfs/dbraw/zinc/27/19/70/484271970.db2.gz DLEBSHJJNFTYNG-CQSZACIVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@H+](C)CC1 ZINC000517625609 484271966 /nfs/dbraw/zinc/27/19/66/484271966.db2.gz DLEBSHJJNFTYNG-CQSZACIVSA-N 2 1 352.479 -0.332 20 0 FBADMP CCN1CCN(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C(=O)C1=O ZINC000517650833 484272820 /nfs/dbraw/zinc/27/28/20/484272820.db2.gz NMRQEGXFYCTGBY-UHFFFAOYSA-N 2 1 374.445 -0.537 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707106 484276190 /nfs/dbraw/zinc/27/61/90/484276190.db2.gz YEKNAMAJBGVRCN-OAGGEKHMSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707106 484276184 /nfs/dbraw/zinc/27/61/84/484276184.db2.gz YEKNAMAJBGVRCN-OAGGEKHMSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707107 484276801 /nfs/dbraw/zinc/27/68/01/484276801.db2.gz YEKNAMAJBGVRCN-XHSDSOJGSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707107 484276795 /nfs/dbraw/zinc/27/67/95/484276795.db2.gz YEKNAMAJBGVRCN-XHSDSOJGSA-N 2 1 350.463 -0.670 20 0 FBADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000517902428 483755109 /nfs/dbraw/zinc/75/51/09/483755109.db2.gz IGEQBXYOIMRCCR-NVXWUHKLSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000517903133 483755177 /nfs/dbraw/zinc/75/51/77/483755177.db2.gz ORMQOMOXYMXDJK-BBWFWOEESA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000517903136 483755231 /nfs/dbraw/zinc/75/52/31/483755231.db2.gz ORMQOMOXYMXDJK-IXDOHACOSA-N 2 1 367.538 -0.038 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000518051416 483759373 /nfs/dbraw/zinc/75/93/73/483759373.db2.gz ANBJNUBGXITDLY-HNNXBMFYSA-N 2 1 366.462 -0.754 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000518051418 483759081 /nfs/dbraw/zinc/75/90/81/483759081.db2.gz ANBJNUBGXITDLY-OAHLLOKOSA-N 2 1 366.462 -0.754 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000518332195 483768611 /nfs/dbraw/zinc/76/86/11/483768611.db2.gz JFSMUBBSIBFXLR-UHFFFAOYSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000518362253 483769776 /nfs/dbraw/zinc/76/97/76/483769776.db2.gz LWWRECIWQFICHM-KKUMJFAQSA-N 2 1 352.479 -0.249 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000518362254 483769577 /nfs/dbraw/zinc/76/95/77/483769577.db2.gz LWWRECIWQFICHM-RRFJBIMHSA-N 2 1 352.479 -0.249 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000518362255 483769510 /nfs/dbraw/zinc/76/95/10/483769510.db2.gz LWWRECIWQFICHM-SOUVJXGZSA-N 2 1 352.479 -0.249 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000518362256 483769805 /nfs/dbraw/zinc/76/98/05/483769805.db2.gz LWWRECIWQFICHM-ZNMIVQPWSA-N 2 1 352.479 -0.249 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]c1 ZINC000518398479 483773964 /nfs/dbraw/zinc/77/39/64/483773964.db2.gz SVXPDPIMMPDAHJ-KBPBESRZSA-N 2 1 374.445 -0.921 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]c1 ZINC000518398480 483773591 /nfs/dbraw/zinc/77/35/91/483773591.db2.gz SVXPDPIMMPDAHJ-KGLIPLIRSA-N 2 1 374.445 -0.921 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]c1 ZINC000518398481 483773768 /nfs/dbraw/zinc/77/37/68/483773768.db2.gz SVXPDPIMMPDAHJ-UONOGXRCSA-N 2 1 374.445 -0.921 20 0 FBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]c1 ZINC000518398482 483773699 /nfs/dbraw/zinc/77/36/99/483773699.db2.gz SVXPDPIMMPDAHJ-ZIAGYGMSSA-N 2 1 374.445 -0.921 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000518483692 483782276 /nfs/dbraw/zinc/78/22/76/483782276.db2.gz IENLYRWYETUFFV-INIZCTEOSA-N 3 1 355.527 -0.119 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000518483693 483782332 /nfs/dbraw/zinc/78/23/32/483782332.db2.gz IENLYRWYETUFFV-MRXNPFEDSA-N 3 1 355.527 -0.119 20 0 FBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000518532084 483785194 /nfs/dbraw/zinc/78/51/94/483785194.db2.gz TVQULPZPFLEUEX-XJKSGUPXSA-N 2 1 356.492 -0.788 20 0 FBADMP CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000518981853 484132196 /nfs/dbraw/zinc/13/21/96/484132196.db2.gz INRBQNDGMQZADF-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000518981854 484132210 /nfs/dbraw/zinc/13/22/10/484132210.db2.gz INRBQNDGMQZADF-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCS(=O)(=O)NC)CC2)CC1 ZINC000518997471 484134211 /nfs/dbraw/zinc/13/42/11/484134211.db2.gz XYVMPPKZCVYHRL-UHFFFAOYSA-N 2 1 360.524 -0.152 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000519157747 484148575 /nfs/dbraw/zinc/14/85/75/484148575.db2.gz JSPLIHZCSLJYCC-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000519157748 484148018 /nfs/dbraw/zinc/14/80/18/484148018.db2.gz JSPLIHZCSLJYCC-IKGGRYGDSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000519157749 484148258 /nfs/dbraw/zinc/14/82/58/484148258.db2.gz JSPLIHZCSLJYCC-ULQDDVLXSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000519157750 484148035 /nfs/dbraw/zinc/14/80/35/484148035.db2.gz JSPLIHZCSLJYCC-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000519367181 484162125 /nfs/dbraw/zinc/16/21/25/484162125.db2.gz RDZMVGKOGQWZIR-CVEARBPZSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000519367181 484162122 /nfs/dbraw/zinc/16/21/22/484162122.db2.gz RDZMVGKOGQWZIR-CVEARBPZSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000519367181 484162120 /nfs/dbraw/zinc/16/21/20/484162120.db2.gz RDZMVGKOGQWZIR-CVEARBPZSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000519367182 484162166 /nfs/dbraw/zinc/16/21/66/484162166.db2.gz RDZMVGKOGQWZIR-HOTGVXAUSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000519367182 484162164 /nfs/dbraw/zinc/16/21/64/484162164.db2.gz RDZMVGKOGQWZIR-HOTGVXAUSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000519367182 484162161 /nfs/dbraw/zinc/16/21/61/484162161.db2.gz RDZMVGKOGQWZIR-HOTGVXAUSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367183 484162193 /nfs/dbraw/zinc/16/21/93/484162193.db2.gz RDZMVGKOGQWZIR-HZPDHXFCSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367183 484162192 /nfs/dbraw/zinc/16/21/92/484162192.db2.gz RDZMVGKOGQWZIR-HZPDHXFCSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367183 484162187 /nfs/dbraw/zinc/16/21/87/484162187.db2.gz RDZMVGKOGQWZIR-HZPDHXFCSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367184 484162725 /nfs/dbraw/zinc/16/27/25/484162725.db2.gz RDZMVGKOGQWZIR-JKSUJKDBSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367184 484162720 /nfs/dbraw/zinc/16/27/20/484162720.db2.gz RDZMVGKOGQWZIR-JKSUJKDBSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367184 484162712 /nfs/dbraw/zinc/16/27/12/484162712.db2.gz RDZMVGKOGQWZIR-JKSUJKDBSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372080 484162233 /nfs/dbraw/zinc/16/22/33/484162233.db2.gz SSCYBXPXNVFGBN-CVEARBPZSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372080 484162230 /nfs/dbraw/zinc/16/22/30/484162230.db2.gz SSCYBXPXNVFGBN-CVEARBPZSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372081 484163286 /nfs/dbraw/zinc/16/32/86/484163286.db2.gz SSCYBXPXNVFGBN-HOTGVXAUSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372081 484163280 /nfs/dbraw/zinc/16/32/80/484163280.db2.gz SSCYBXPXNVFGBN-HOTGVXAUSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372082 484162777 /nfs/dbraw/zinc/16/27/77/484162777.db2.gz SSCYBXPXNVFGBN-HZPDHXFCSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372082 484162772 /nfs/dbraw/zinc/16/27/72/484162772.db2.gz SSCYBXPXNVFGBN-HZPDHXFCSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372083 484162960 /nfs/dbraw/zinc/16/29/60/484162960.db2.gz SSCYBXPXNVFGBN-JKSUJKDBSA-N 2 1 369.510 -0.018 20 0 FBADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000519372083 484162950 /nfs/dbraw/zinc/16/29/50/484162950.db2.gz SSCYBXPXNVFGBN-JKSUJKDBSA-N 2 1 369.510 -0.018 20 0 FBADMP CC[NH+]1CC[C@@H](CNC(=O)COCC(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000519408336 484163795 /nfs/dbraw/zinc/16/37/95/484163795.db2.gz NXKVROXSROKMIY-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CC[C@H](CNC(=O)COCC(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000519408337 484164444 /nfs/dbraw/zinc/16/44/44/484164444.db2.gz NXKVROXSROKMIY-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CC[C@H](CNC(=O)COCC(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000519408338 484164532 /nfs/dbraw/zinc/16/45/32/484164532.db2.gz NXKVROXSROKMIY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CC[C@H](CNC(=O)COCC(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000519408338 484164527 /nfs/dbraw/zinc/16/45/27/484164527.db2.gz NXKVROXSROKMIY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CC[C@@H](CNC(=O)COCC(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000519408338 484164519 /nfs/dbraw/zinc/16/45/19/484164519.db2.gz NXKVROXSROKMIY-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CN(C(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000519535786 484172396 /nfs/dbraw/zinc/17/23/96/484172396.db2.gz GJRLXOBDTPDJLM-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000519536449 484172605 /nfs/dbraw/zinc/17/26/05/484172605.db2.gz DVFSXNROIIYJNT-CWRNSKLLSA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000519536452 484173280 /nfs/dbraw/zinc/17/32/80/484173280.db2.gz DVFSXNROIIYJNT-VNQPRFMTSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000519537598 484173682 /nfs/dbraw/zinc/17/36/82/484173682.db2.gz BSSDOLISKFTKFR-CVEARBPZSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519591899 484177083 /nfs/dbraw/zinc/17/70/83/484177083.db2.gz WJFYDMOWFDLTTL-CHWSQXEVSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519591900 484177686 /nfs/dbraw/zinc/17/76/86/484177686.db2.gz WJFYDMOWFDLTTL-OLZOCXBDSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519592170 484177513 /nfs/dbraw/zinc/17/75/13/484177513.db2.gz IRDFNSOUDJIKOK-QWHCGFSZSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519592220 484177481 /nfs/dbraw/zinc/17/74/81/484177481.db2.gz IRDFNSOUDJIKOK-STQMWFEESA-N 2 1 367.416 -0.470 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000519636569 484180744 /nfs/dbraw/zinc/18/07/44/484180744.db2.gz XRWXIUNSNHWINZ-CVEARBPZSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000519636598 484180781 /nfs/dbraw/zinc/18/07/81/484180781.db2.gz XRWXIUNSNHWINZ-HOTGVXAUSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000519636600 484180670 /nfs/dbraw/zinc/18/06/70/484180670.db2.gz XRWXIUNSNHWINZ-HZPDHXFCSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000519636603 484180347 /nfs/dbraw/zinc/18/03/47/484180347.db2.gz XRWXIUNSNHWINZ-JKSUJKDBSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639734 484180575 /nfs/dbraw/zinc/18/05/75/484180575.db2.gz PPVBDDOTBIUHPI-DMRZNYOFSA-N 2 1 360.462 -0.632 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639747 484180180 /nfs/dbraw/zinc/18/01/80/484180180.db2.gz PPVBDDOTBIUHPI-DRPJVOAASA-N 2 1 360.462 -0.632 20 0 FBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639757 484180958 /nfs/dbraw/zinc/18/09/58/484180958.db2.gz PPVBDDOTBIUHPI-QCEMKRCNSA-N 2 1 360.462 -0.632 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639761 484180703 /nfs/dbraw/zinc/18/07/03/484180703.db2.gz PPVBDDOTBIUHPI-SYAUCNOPSA-N 2 1 360.462 -0.632 20 0 FBADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519691511 484183498 /nfs/dbraw/zinc/18/34/98/484183498.db2.gz XXSVRINLMTYPOL-CABCVRRESA-N 2 1 353.467 -0.639 20 0 FBADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519691519 484183586 /nfs/dbraw/zinc/18/35/86/484183586.db2.gz XXSVRINLMTYPOL-GJZGRUSLSA-N 2 1 353.467 -0.639 20 0 FBADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519691521 484184509 /nfs/dbraw/zinc/18/45/09/484184509.db2.gz XXSVRINLMTYPOL-HUUCEWRRSA-N 2 1 353.467 -0.639 20 0 FBADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519691524 484184083 /nfs/dbraw/zinc/18/40/83/484184083.db2.gz XXSVRINLMTYPOL-LSDHHAIUSA-N 2 1 353.467 -0.639 20 0 FBADMP CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519814404 484192470 /nfs/dbraw/zinc/19/24/70/484192470.db2.gz VXKOCDDZFNYAFN-DLBZAZTESA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519814404 484192464 /nfs/dbraw/zinc/19/24/64/484192464.db2.gz VXKOCDDZFNYAFN-DLBZAZTESA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519814447 484192222 /nfs/dbraw/zinc/19/22/22/484192222.db2.gz VXKOCDDZFNYAFN-IAGOWNOFSA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519814447 484192217 /nfs/dbraw/zinc/19/22/17/484192217.db2.gz VXKOCDDZFNYAFN-IAGOWNOFSA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519814452 484192414 /nfs/dbraw/zinc/19/24/14/484192414.db2.gz VXKOCDDZFNYAFN-IRXDYDNUSA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519814452 484192410 /nfs/dbraw/zinc/19/24/10/484192410.db2.gz VXKOCDDZFNYAFN-IRXDYDNUSA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519814455 484192137 /nfs/dbraw/zinc/19/21/37/484192137.db2.gz VXKOCDDZFNYAFN-SJORKVTESA-N 2 1 360.458 -0.130 20 0 FBADMP CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519814455 484192132 /nfs/dbraw/zinc/19/21/32/484192132.db2.gz VXKOCDDZFNYAFN-SJORKVTESA-N 2 1 360.458 -0.130 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000519824336 484191752 /nfs/dbraw/zinc/19/17/52/484191752.db2.gz LZLZHYXPYSHKDW-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000519824336 484191746 /nfs/dbraw/zinc/19/17/46/484191746.db2.gz LZLZHYXPYSHKDW-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000519824341 484192258 /nfs/dbraw/zinc/19/22/58/484192258.db2.gz LZLZHYXPYSHKDW-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000519824341 484192252 /nfs/dbraw/zinc/19/22/52/484192252.db2.gz LZLZHYXPYSHKDW-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000519848387 484193124 /nfs/dbraw/zinc/19/31/24/484193124.db2.gz HKUJBGZRRZOZHI-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[NH+](C)CCNC(=O)c1cc(S(=O)(=O)NCC[N@@H+](C)CC)c[nH]1 ZINC000520134890 484065907 /nfs/dbraw/zinc/06/59/07/484065907.db2.gz XDZDEBLNWYCDDO-UHFFFAOYSA-N 2 1 359.496 -0.074 20 0 FBADMP CC[NH+](C)CCNC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)CC)c[nH]1 ZINC000520134890 484065899 /nfs/dbraw/zinc/06/58/99/484065899.db2.gz XDZDEBLNWYCDDO-UHFFFAOYSA-N 2 1 359.496 -0.074 20 0 FBADMP CC[NH+](C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@H+](C)CC)c1 ZINC000520134890 484065894 /nfs/dbraw/zinc/06/58/94/484065894.db2.gz XDZDEBLNWYCDDO-UHFFFAOYSA-N 2 1 359.496 -0.074 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000520204809 484211609 /nfs/dbraw/zinc/21/16/09/484211609.db2.gz KNGGXBGVYDOAQQ-INIZCTEOSA-N 2 1 355.527 -0.121 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000520204812 484211357 /nfs/dbraw/zinc/21/13/57/484211357.db2.gz KNGGXBGVYDOAQQ-MRXNPFEDSA-N 2 1 355.527 -0.121 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000520255642 484219660 /nfs/dbraw/zinc/21/96/60/484219660.db2.gz WIWQJAPHDPUETH-UHFFFAOYSA-N 2 1 371.445 -0.194 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1C[C@@H](C)O ZINC000520393171 484238962 /nfs/dbraw/zinc/23/89/62/484238962.db2.gz LJJAMLXGBGMYAB-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000520393171 484238955 /nfs/dbraw/zinc/23/89/55/484238955.db2.gz LJJAMLXGBGMYAB-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1C[C@H](C)O ZINC000520393172 484238688 /nfs/dbraw/zinc/23/86/88/484238688.db2.gz LJJAMLXGBGMYAB-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000520393172 484238685 /nfs/dbraw/zinc/23/86/85/484238685.db2.gz LJJAMLXGBGMYAB-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1C[C@@H](C)O ZINC000520393173 484239516 /nfs/dbraw/zinc/23/95/16/484239516.db2.gz LJJAMLXGBGMYAB-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000520393173 484239507 /nfs/dbraw/zinc/23/95/07/484239507.db2.gz LJJAMLXGBGMYAB-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1C[C@H](C)O ZINC000520393174 484239608 /nfs/dbraw/zinc/23/96/08/484239608.db2.gz LJJAMLXGBGMYAB-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000520393174 484239606 /nfs/dbraw/zinc/23/96/06/484239606.db2.gz LJJAMLXGBGMYAB-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000520418059 484243351 /nfs/dbraw/zinc/24/33/51/484243351.db2.gz UHJHSPPAQSDITO-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000520418060 484244107 /nfs/dbraw/zinc/24/41/07/484244107.db2.gz UHJHSPPAQSDITO-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000520418061 484244001 /nfs/dbraw/zinc/24/40/01/484244001.db2.gz UHJHSPPAQSDITO-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000520418062 484243743 /nfs/dbraw/zinc/24/37/43/484243743.db2.gz UHJHSPPAQSDITO-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000520430069 484246180 /nfs/dbraw/zinc/24/61/80/484246180.db2.gz YVBKNZFFXASXCQ-UHFFFAOYSA-N 2 1 373.523 -0.203 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000520612498 484259290 /nfs/dbraw/zinc/25/92/90/484259290.db2.gz HHUFUHOQLNBJEQ-HNNXBMFYSA-N 2 1 369.510 -0.315 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618979 484259241 /nfs/dbraw/zinc/25/92/41/484259241.db2.gz DNNRUEZPLSDULS-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618980 484259937 /nfs/dbraw/zinc/25/99/37/484259937.db2.gz DNNRUEZPLSDULS-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618981 484259174 /nfs/dbraw/zinc/25/91/74/484259174.db2.gz DNNRUEZPLSDULS-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618982 484259773 /nfs/dbraw/zinc/25/97/73/484259773.db2.gz DNNRUEZPLSDULS-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000520979808 484279234 /nfs/dbraw/zinc/27/92/34/484279234.db2.gz OIPUGILPHGYDLA-UHFFFAOYSA-N 2 1 357.499 -0.194 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000520986818 484279810 /nfs/dbraw/zinc/27/98/10/484279810.db2.gz IHADOBCMZVWXLT-INIZCTEOSA-N 2 1 369.510 -0.411 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000520986819 484279406 /nfs/dbraw/zinc/27/94/06/484279406.db2.gz IHADOBCMZVWXLT-MRXNPFEDSA-N 2 1 369.510 -0.411 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521011314 484279514 /nfs/dbraw/zinc/27/95/14/484279514.db2.gz VXTQCKQSQGPDCK-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521011314 484279510 /nfs/dbraw/zinc/27/95/10/484279510.db2.gz VXTQCKQSQGPDCK-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521011314 484279506 /nfs/dbraw/zinc/27/95/06/484279506.db2.gz VXTQCKQSQGPDCK-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521011315 484280201 /nfs/dbraw/zinc/28/02/01/484280201.db2.gz VXTQCKQSQGPDCK-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521011315 484280193 /nfs/dbraw/zinc/28/01/93/484280193.db2.gz VXTQCKQSQGPDCK-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521011315 484280182 /nfs/dbraw/zinc/28/01/82/484280182.db2.gz VXTQCKQSQGPDCK-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000521041499 483428429 /nfs/dbraw/zinc/42/84/29/483428429.db2.gz NWLCVRAFQVMEGP-AWEZNQCLSA-N 2 1 358.508 -0.303 20 0 FBADMP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000521041499 483428424 /nfs/dbraw/zinc/42/84/24/483428424.db2.gz NWLCVRAFQVMEGP-AWEZNQCLSA-N 2 1 358.508 -0.303 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000521041503 483428263 /nfs/dbraw/zinc/42/82/63/483428263.db2.gz NWLCVRAFQVMEGP-CQSZACIVSA-N 2 1 358.508 -0.303 20 0 FBADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000521041503 483428260 /nfs/dbraw/zinc/42/82/60/483428260.db2.gz NWLCVRAFQVMEGP-CQSZACIVSA-N 2 1 358.508 -0.303 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000521259460 484287123 /nfs/dbraw/zinc/28/71/23/484287123.db2.gz OPEYYFCPOXDFDV-HNNXBMFYSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000521259463 484287393 /nfs/dbraw/zinc/28/73/93/484287393.db2.gz OPEYYFCPOXDFDV-OAHLLOKOSA-N 2 1 353.511 -0.427 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000521339339 483467495 /nfs/dbraw/zinc/46/74/95/483467495.db2.gz ZHYYMHQHUYLVCN-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000521472746 484668162 /nfs/dbraw/zinc/66/81/62/484668162.db2.gz CUHHBEDXQPZEEE-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000521472747 484668385 /nfs/dbraw/zinc/66/83/85/484668385.db2.gz CUHHBEDXQPZEEE-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000521472748 484667590 /nfs/dbraw/zinc/66/75/90/484667590.db2.gz CUHHBEDXQPZEEE-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000521472749 484667824 /nfs/dbraw/zinc/66/78/24/484667824.db2.gz CUHHBEDXQPZEEE-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP CN(CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1)CC[NH+](C)C ZINC000521502875 484293692 /nfs/dbraw/zinc/29/36/92/484293692.db2.gz HKEKSSZONCAWNH-UHFFFAOYSA-N 2 1 367.538 -0.118 20 0 FBADMP CN(C)C(=O)Cn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1 ZINC000521554338 484297111 /nfs/dbraw/zinc/29/71/11/484297111.db2.gz ANPXMTOSPFPACN-UHFFFAOYSA-N 2 1 372.433 -0.235 20 0 FBADMP O=C(COCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000521677928 484301974 /nfs/dbraw/zinc/30/19/74/484301974.db2.gz OAZFEJOKVUFNRS-KBPBESRZSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(COCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000521677930 484301561 /nfs/dbraw/zinc/30/15/61/484301561.db2.gz OAZFEJOKVUFNRS-OKILXGFUSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(COCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000521677930 484301552 /nfs/dbraw/zinc/30/15/52/484301552.db2.gz OAZFEJOKVUFNRS-OKILXGFUSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(COCC(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521677930 484301545 /nfs/dbraw/zinc/30/15/45/484301545.db2.gz OAZFEJOKVUFNRS-OKILXGFUSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(COCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000521677932 484301671 /nfs/dbraw/zinc/30/16/71/484301671.db2.gz OAZFEJOKVUFNRS-ZIAGYGMSSA-N 2 1 350.463 -0.291 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000521681180 484301796 /nfs/dbraw/zinc/30/17/96/484301796.db2.gz RRKWAKBNRSLQIL-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000521681180 484301790 /nfs/dbraw/zinc/30/17/90/484301790.db2.gz RRKWAKBNRSLQIL-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000521681181 484302656 /nfs/dbraw/zinc/30/26/56/484302656.db2.gz RRKWAKBNRSLQIL-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000521681181 484302648 /nfs/dbraw/zinc/30/26/48/484302648.db2.gz RRKWAKBNRSLQIL-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000521681282 484302326 /nfs/dbraw/zinc/30/23/26/484302326.db2.gz RRKWAKBNRSLQIL-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000521681282 484302320 /nfs/dbraw/zinc/30/23/20/484302320.db2.gz RRKWAKBNRSLQIL-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000521681283 484301947 /nfs/dbraw/zinc/30/19/47/484301947.db2.gz RRKWAKBNRSLQIL-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000521681283 484301939 /nfs/dbraw/zinc/30/19/39/484301939.db2.gz RRKWAKBNRSLQIL-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521854016 484307793 /nfs/dbraw/zinc/30/77/93/484307793.db2.gz QGVGRFVEYOZOBB-INIZCTEOSA-N 2 1 369.510 -0.458 20 0 FBADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521854017 484307332 /nfs/dbraw/zinc/30/73/32/484307332.db2.gz QGVGRFVEYOZOBB-MRXNPFEDSA-N 2 1 369.510 -0.458 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000521918544 484309999 /nfs/dbraw/zinc/30/99/99/484309999.db2.gz DBZCDHVYHODSPI-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000521918545 484310052 /nfs/dbraw/zinc/31/00/52/484310052.db2.gz DBZCDHVYHODSPI-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521971988 484314295 /nfs/dbraw/zinc/31/42/95/484314295.db2.gz VUPXQVZPKULHGX-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521971988 484314287 /nfs/dbraw/zinc/31/42/87/484314287.db2.gz VUPXQVZPKULHGX-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521971989 484314184 /nfs/dbraw/zinc/31/41/84/484314184.db2.gz VUPXQVZPKULHGX-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521971989 484314178 /nfs/dbraw/zinc/31/41/78/484314178.db2.gz VUPXQVZPKULHGX-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000521999519 484313113 /nfs/dbraw/zinc/31/31/13/484313113.db2.gz XJNLQDKDCRZNKQ-UHFFFAOYSA-N 2 1 361.494 -0.125 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522066062 484318150 /nfs/dbraw/zinc/31/81/50/484318150.db2.gz QOZLUBRDSZYAIU-CABCVRRESA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522066062 484318145 /nfs/dbraw/zinc/31/81/45/484318145.db2.gz QOZLUBRDSZYAIU-CABCVRRESA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000522066062 484318140 /nfs/dbraw/zinc/31/81/40/484318140.db2.gz QOZLUBRDSZYAIU-CABCVRRESA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000522066063 484318532 /nfs/dbraw/zinc/31/85/32/484318532.db2.gz QOZLUBRDSZYAIU-GJZGRUSLSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000522066063 484318527 /nfs/dbraw/zinc/31/85/27/484318527.db2.gz QOZLUBRDSZYAIU-GJZGRUSLSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000522066063 484318518 /nfs/dbraw/zinc/31/85/18/484318518.db2.gz QOZLUBRDSZYAIU-GJZGRUSLSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522066064 484319100 /nfs/dbraw/zinc/31/91/00/484319100.db2.gz QOZLUBRDSZYAIU-HUUCEWRRSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522066064 484319090 /nfs/dbraw/zinc/31/90/90/484319090.db2.gz QOZLUBRDSZYAIU-HUUCEWRRSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000522066064 484319084 /nfs/dbraw/zinc/31/90/84/484319084.db2.gz QOZLUBRDSZYAIU-HUUCEWRRSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000522066065 484318837 /nfs/dbraw/zinc/31/88/37/484318837.db2.gz QOZLUBRDSZYAIU-LSDHHAIUSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000522066065 484318830 /nfs/dbraw/zinc/31/88/30/484318830.db2.gz QOZLUBRDSZYAIU-LSDHHAIUSA-N 2 1 354.499 -0.881 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000522066065 484318822 /nfs/dbraw/zinc/31/88/22/484318822.db2.gz QOZLUBRDSZYAIU-LSDHHAIUSA-N 2 1 354.499 -0.881 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000522077419 484319820 /nfs/dbraw/zinc/31/98/20/484319820.db2.gz FSICQYRXSYGZHB-HNNXBMFYSA-N 2 1 355.483 -0.393 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000522077419 484319813 /nfs/dbraw/zinc/31/98/13/484319813.db2.gz FSICQYRXSYGZHB-HNNXBMFYSA-N 2 1 355.483 -0.393 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000522077420 484319465 /nfs/dbraw/zinc/31/94/65/484319465.db2.gz FSICQYRXSYGZHB-OAHLLOKOSA-N 2 1 355.483 -0.393 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000522077420 484319459 /nfs/dbraw/zinc/31/94/59/484319459.db2.gz FSICQYRXSYGZHB-OAHLLOKOSA-N 2 1 355.483 -0.393 20 0 FBADMP CN1C(=O)C(=O)N(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000522173363 484322670 /nfs/dbraw/zinc/32/26/70/484322670.db2.gz VFCKMMZUTIOEFS-UHFFFAOYSA-N 2 1 360.374 -0.808 20 0 FBADMP COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000522287140 484328015 /nfs/dbraw/zinc/32/80/15/484328015.db2.gz HOXNYQIPBIBCOC-HNNXBMFYSA-N 2 1 369.510 -0.051 20 0 FBADMP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000522287141 484327454 /nfs/dbraw/zinc/32/74/54/484327454.db2.gz HOXNYQIPBIBCOC-OAHLLOKOSA-N 2 1 369.510 -0.051 20 0 FBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522289105 484327211 /nfs/dbraw/zinc/32/72/11/484327211.db2.gz OSHPRAQMGWAPBS-INIZCTEOSA-N 2 1 353.511 -0.088 20 0 FBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522289106 484327115 /nfs/dbraw/zinc/32/71/15/484327115.db2.gz OSHPRAQMGWAPBS-MRXNPFEDSA-N 2 1 353.511 -0.088 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666512 484335923 /nfs/dbraw/zinc/33/59/23/484335923.db2.gz KIEWDWJFMWICAT-AWEZNQCLSA-N 2 1 353.467 -0.197 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666513 484335652 /nfs/dbraw/zinc/33/56/52/484335652.db2.gz KIEWDWJFMWICAT-CQSZACIVSA-N 2 1 353.467 -0.197 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339975 /nfs/dbraw/zinc/33/99/75/484339975.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339969 /nfs/dbraw/zinc/33/99/69/484339969.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339962 /nfs/dbraw/zinc/33/99/62/484339962.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339640 /nfs/dbraw/zinc/33/96/40/484339640.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339634 /nfs/dbraw/zinc/33/96/34/484339634.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339626 /nfs/dbraw/zinc/33/96/26/484339626.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341198 /nfs/dbraw/zinc/34/11/98/484341198.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341192 /nfs/dbraw/zinc/34/11/92/484341192.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341185 /nfs/dbraw/zinc/34/11/85/484341185.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341260 /nfs/dbraw/zinc/34/12/60/484341260.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341253 /nfs/dbraw/zinc/34/12/53/484341253.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341246 /nfs/dbraw/zinc/34/12/46/484341246.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCOCC1 ZINC000522980792 484341417 /nfs/dbraw/zinc/34/14/17/484341417.db2.gz BVMHZWXUVXFCJH-AWEZNQCLSA-N 2 1 355.483 -0.264 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCOCC1 ZINC000522980793 484341293 /nfs/dbraw/zinc/34/12/93/484341293.db2.gz BVMHZWXUVXFCJH-CQSZACIVSA-N 2 1 355.483 -0.264 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000522982282 484340726 /nfs/dbraw/zinc/34/07/26/484340726.db2.gz CGCAOAZPGFMHBQ-HNNXBMFYSA-N 2 1 369.510 -0.016 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000522982283 484340969 /nfs/dbraw/zinc/34/09/69/484340969.db2.gz CGCAOAZPGFMHBQ-OAHLLOKOSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523208540 484348402 /nfs/dbraw/zinc/34/84/02/484348402.db2.gz BRPBDRKFNKNEOS-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523208540 484348395 /nfs/dbraw/zinc/34/83/95/484348395.db2.gz BRPBDRKFNKNEOS-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523208541 484347038 /nfs/dbraw/zinc/34/70/38/484347038.db2.gz BRPBDRKFNKNEOS-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523208541 484347033 /nfs/dbraw/zinc/34/70/33/484347033.db2.gz BRPBDRKFNKNEOS-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523603050 484355718 /nfs/dbraw/zinc/35/57/18/484355718.db2.gz AMHUUYKSMVCUNY-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523603050 484355713 /nfs/dbraw/zinc/35/57/13/484355713.db2.gz AMHUUYKSMVCUNY-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523603051 484355999 /nfs/dbraw/zinc/35/59/99/484355999.db2.gz AMHUUYKSMVCUNY-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523603051 484355993 /nfs/dbraw/zinc/35/59/93/484355993.db2.gz AMHUUYKSMVCUNY-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000523630188 484356954 /nfs/dbraw/zinc/35/69/54/484356954.db2.gz JNEPTJUJDGVDRM-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000523630188 484356949 /nfs/dbraw/zinc/35/69/49/484356949.db2.gz JNEPTJUJDGVDRM-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000523630189 484358028 /nfs/dbraw/zinc/35/80/28/484358028.db2.gz JNEPTJUJDGVDRM-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000523630189 484358021 /nfs/dbraw/zinc/35/80/21/484358021.db2.gz JNEPTJUJDGVDRM-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000524265743 484369597 /nfs/dbraw/zinc/36/95/97/484369597.db2.gz VKEPBPDYQSJCKH-INIZCTEOSA-N 2 1 368.526 -0.572 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000524265744 484369539 /nfs/dbraw/zinc/36/95/39/484369539.db2.gz VKEPBPDYQSJCKH-MRXNPFEDSA-N 2 1 368.526 -0.572 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524391523 484372484 /nfs/dbraw/zinc/37/24/84/484372484.db2.gz OUKBLXHXYAAWIO-FQEVSTJZSA-N 2 1 374.485 -0.050 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524391523 484372478 /nfs/dbraw/zinc/37/24/78/484372478.db2.gz OUKBLXHXYAAWIO-FQEVSTJZSA-N 2 1 374.485 -0.050 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524391524 484373071 /nfs/dbraw/zinc/37/30/71/484373071.db2.gz OUKBLXHXYAAWIO-HXUWFJFHSA-N 2 1 374.485 -0.050 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524391524 484373064 /nfs/dbraw/zinc/37/30/64/484373064.db2.gz OUKBLXHXYAAWIO-HXUWFJFHSA-N 2 1 374.485 -0.050 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404197 484373126 /nfs/dbraw/zinc/37/31/26/484373126.db2.gz CZLZTYMHXRYZFJ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404197 484373121 /nfs/dbraw/zinc/37/31/21/484373121.db2.gz CZLZTYMHXRYZFJ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404197 484373115 /nfs/dbraw/zinc/37/31/15/484373115.db2.gz CZLZTYMHXRYZFJ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404198 484372607 /nfs/dbraw/zinc/37/26/07/484372607.db2.gz CZLZTYMHXRYZFJ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404198 484372603 /nfs/dbraw/zinc/37/26/03/484372603.db2.gz CZLZTYMHXRYZFJ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404198 484372601 /nfs/dbraw/zinc/37/26/01/484372601.db2.gz CZLZTYMHXRYZFJ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404199 484372152 /nfs/dbraw/zinc/37/21/52/484372152.db2.gz CZLZTYMHXRYZFJ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404199 484372143 /nfs/dbraw/zinc/37/21/43/484372143.db2.gz CZLZTYMHXRYZFJ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404199 484372137 /nfs/dbraw/zinc/37/21/37/484372137.db2.gz CZLZTYMHXRYZFJ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404200 484372395 /nfs/dbraw/zinc/37/23/95/484372395.db2.gz CZLZTYMHXRYZFJ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404200 484372388 /nfs/dbraw/zinc/37/23/88/484372388.db2.gz CZLZTYMHXRYZFJ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)C1 ZINC000524404200 484372382 /nfs/dbraw/zinc/37/23/82/484372382.db2.gz CZLZTYMHXRYZFJ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000524518666 484375726 /nfs/dbraw/zinc/37/57/26/484375726.db2.gz NHMHZNOHDDDJRA-UHFFFAOYSA-N 2 1 369.510 -0.051 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(N3CCNC3=O)CC2)C1=O ZINC000525175028 484400068 /nfs/dbraw/zinc/40/00/68/484400068.db2.gz BDXBBWPPHOEVIQ-AWEZNQCLSA-N 2 1 351.451 -0.445 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(N3CCNC3=O)CC2)C1=O ZINC000525175029 484400334 /nfs/dbraw/zinc/40/03/34/484400334.db2.gz BDXBBWPPHOEVIQ-CQSZACIVSA-N 2 1 351.451 -0.445 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000525419334 484407260 /nfs/dbraw/zinc/40/72/60/484407260.db2.gz SADAZTYLXSZPBG-UHFFFAOYSA-N 3 1 356.515 -0.715 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000525421092 484407463 /nfs/dbraw/zinc/40/74/63/484407463.db2.gz DQTDFKLJQWOAON-UHFFFAOYSA-N 2 1 369.510 -0.361 20 0 FBADMP C[N@H+](CCCO)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000525421092 484407456 /nfs/dbraw/zinc/40/74/56/484407456.db2.gz DQTDFKLJQWOAON-UHFFFAOYSA-N 2 1 369.510 -0.361 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000525439486 483428282 /nfs/dbraw/zinc/42/82/82/483428282.db2.gz VSVQBPRBJLLUPM-UHFFFAOYSA-N 3 1 370.542 -0.326 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446887 483498073 /nfs/dbraw/zinc/49/80/73/483498073.db2.gz HMPGTFSQPRWGGJ-HNNXBMFYSA-N 2 1 369.510 -0.315 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446888 483498692 /nfs/dbraw/zinc/49/86/92/483498692.db2.gz HMPGTFSQPRWGGJ-OAHLLOKOSA-N 2 1 369.510 -0.315 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688330 484005160 /nfs/dbraw/zinc/00/51/60/484005160.db2.gz ZNUUGTRSJQWXLH-KBPBESRZSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688330 484005152 /nfs/dbraw/zinc/00/51/52/484005152.db2.gz ZNUUGTRSJQWXLH-KBPBESRZSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688331 484005110 /nfs/dbraw/zinc/00/51/10/484005110.db2.gz ZNUUGTRSJQWXLH-KGLIPLIRSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688331 484005101 /nfs/dbraw/zinc/00/51/01/484005101.db2.gz ZNUUGTRSJQWXLH-KGLIPLIRSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688332 484006052 /nfs/dbraw/zinc/00/60/52/484006052.db2.gz ZNUUGTRSJQWXLH-UONOGXRCSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688332 484006046 /nfs/dbraw/zinc/00/60/46/484006046.db2.gz ZNUUGTRSJQWXLH-UONOGXRCSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688333 484005846 /nfs/dbraw/zinc/00/58/46/484005846.db2.gz ZNUUGTRSJQWXLH-ZIAGYGMSSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000525688333 484005842 /nfs/dbraw/zinc/00/58/42/484005842.db2.gz ZNUUGTRSJQWXLH-ZIAGYGMSSA-N 2 1 374.507 -0.673 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)O1 ZINC000527552538 485147951 /nfs/dbraw/zinc/14/79/51/485147951.db2.gz CDDLPEZBPOOHOT-MOTUXRJWSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)O1 ZINC000527552538 485147947 /nfs/dbraw/zinc/14/79/47/485147947.db2.gz CDDLPEZBPOOHOT-MOTUXRJWSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)O1 ZINC000527552538 485147945 /nfs/dbraw/zinc/14/79/45/485147945.db2.gz CDDLPEZBPOOHOT-MOTUXRJWSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)O1 ZINC000527552538 485147942 /nfs/dbraw/zinc/14/79/42/485147942.db2.gz CDDLPEZBPOOHOT-MOTUXRJWSA-N 2 1 352.479 -0.095 20 0 FBADMP O=C(CN1C[C@@H](CO)[C@H](CO)C1)N1CCN(Cc2ccsc2)CC1 ZINC000528602906 484475732 /nfs/dbraw/zinc/47/57/32/484475732.db2.gz JNZVFHZAIHEFAC-HOTGVXAUSA-N 2 1 353.488 -0.075 20 0 FBADMP O=C(CN1C[C@@H](CO)[C@H](CO)C1)N1CCN(Cc2cccs2)CC1 ZINC000528606235 484476000 /nfs/dbraw/zinc/47/60/00/484476000.db2.gz JWZPWWISSORNLT-GJZGRUSLSA-N 2 1 353.488 -0.075 20 0 FBADMP O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000528606390 484476446 /nfs/dbraw/zinc/47/64/46/484476446.db2.gz NDJDBMBVSGCCMV-IRXDYDNUSA-N 2 1 363.458 -0.010 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529291906 484487894 /nfs/dbraw/zinc/48/78/94/484487894.db2.gz QQPCYDGVDWYRSR-HNNXBMFYSA-N 2 1 364.494 -0.177 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529291908 484487357 /nfs/dbraw/zinc/48/73/57/484487357.db2.gz QQPCYDGVDWYRSR-OAHLLOKOSA-N 2 1 364.494 -0.177 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529292652 484486894 /nfs/dbraw/zinc/48/68/94/484486894.db2.gz MPCIVOQPBRMUCE-UHFFFAOYSA-N 2 1 355.483 -0.216 20 0 FBADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529295294 484486867 /nfs/dbraw/zinc/48/68/67/484486867.db2.gz BAINFOOAIARHNO-UHFFFAOYSA-N 2 1 363.466 -0.066 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304054 484487694 /nfs/dbraw/zinc/48/76/94/484487694.db2.gz MMARJVAAJVQHHI-CVEARBPZSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304060 484487190 /nfs/dbraw/zinc/48/71/90/484487190.db2.gz MMARJVAAJVQHHI-HOTGVXAUSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304061 484487907 /nfs/dbraw/zinc/48/79/07/484487907.db2.gz MMARJVAAJVQHHI-HZPDHXFCSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304062 484487970 /nfs/dbraw/zinc/48/79/70/484487970.db2.gz MMARJVAAJVQHHI-JKSUJKDBSA-N 2 1 364.494 -0.034 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308340 484486925 /nfs/dbraw/zinc/48/69/25/484486925.db2.gz GEMZHIZSGKMNSL-HNNXBMFYSA-N 2 1 368.482 -0.941 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308341 484487815 /nfs/dbraw/zinc/48/78/15/484487815.db2.gz GEMZHIZSGKMNSL-OAHLLOKOSA-N 2 1 368.482 -0.941 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529308634 484487872 /nfs/dbraw/zinc/48/78/72/484487872.db2.gz QADKEQMHAHARGN-AWEZNQCLSA-N 2 1 350.467 -0.425 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529308636 484487006 /nfs/dbraw/zinc/48/70/06/484487006.db2.gz QADKEQMHAHARGN-CQSZACIVSA-N 2 1 350.467 -0.425 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@@H+](C)C1CC1 ZINC000529308935 484487923 /nfs/dbraw/zinc/48/79/23/484487923.db2.gz TWHOIAXNRXDZLG-AWEZNQCLSA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@@H+](C)C1CC1 ZINC000529308947 484487939 /nfs/dbraw/zinc/48/79/39/484487939.db2.gz TWHOIAXNRXDZLG-CQSZACIVSA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000529315111 484489789 /nfs/dbraw/zinc/48/97/89/484489789.db2.gz XBJIGEHESWYSGX-CABCVRRESA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000529315113 484489686 /nfs/dbraw/zinc/48/96/86/484489686.db2.gz XBJIGEHESWYSGX-GJZGRUSLSA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000529315115 484489304 /nfs/dbraw/zinc/48/93/04/484489304.db2.gz XBJIGEHESWYSGX-HUUCEWRRSA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000529315117 484489153 /nfs/dbraw/zinc/48/91/53/484489153.db2.gz XBJIGEHESWYSGX-LSDHHAIUSA-N 2 1 352.483 -0.179 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000529317711 484488765 /nfs/dbraw/zinc/48/87/65/484488765.db2.gz UNQDVKUQUJXBRI-CABCVRRESA-N 2 1 364.494 -0.036 20 0 FBADMP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000529317712 484489631 /nfs/dbraw/zinc/48/96/31/484489631.db2.gz UNQDVKUQUJXBRI-GJZGRUSLSA-N 2 1 364.494 -0.036 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000529317713 484488738 /nfs/dbraw/zinc/48/87/38/484488738.db2.gz UNQDVKUQUJXBRI-HUUCEWRRSA-N 2 1 364.494 -0.036 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000529317714 484489081 /nfs/dbraw/zinc/48/90/81/484489081.db2.gz UNQDVKUQUJXBRI-LSDHHAIUSA-N 2 1 364.494 -0.036 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317923 484489320 /nfs/dbraw/zinc/48/93/20/484489320.db2.gz QFDHIFSQYIXYKK-GDBMZVCRSA-N 2 1 364.494 -0.179 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317925 484489224 /nfs/dbraw/zinc/48/92/24/484489224.db2.gz QFDHIFSQYIXYKK-GOEBONIOSA-N 2 1 364.494 -0.179 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317927 484488953 /nfs/dbraw/zinc/48/89/53/484488953.db2.gz QFDHIFSQYIXYKK-HOCLYGCPSA-N 2 1 364.494 -0.179 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317929 484489258 /nfs/dbraw/zinc/48/92/58/484489258.db2.gz QFDHIFSQYIXYKK-ZBFHGGJFSA-N 2 1 364.494 -0.179 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529325691 484490864 /nfs/dbraw/zinc/49/08/64/484490864.db2.gz LBARNKIWEMAUIO-UHFFFAOYSA-N 2 1 368.482 -0.939 20 0 FBADMP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000529326819 484491674 /nfs/dbraw/zinc/49/16/74/484491674.db2.gz VAMAWIMQVOQNIJ-HNNXBMFYSA-N 2 1 364.494 -0.011 20 0 FBADMP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000529326821 484491061 /nfs/dbraw/zinc/49/10/61/484491061.db2.gz VAMAWIMQVOQNIJ-OAHLLOKOSA-N 2 1 364.494 -0.011 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529383350 484493885 /nfs/dbraw/zinc/49/38/85/484493885.db2.gz WLFRCBQDRNWGCH-INIZCTEOSA-N 2 1 367.494 -0.440 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529383353 484493740 /nfs/dbraw/zinc/49/37/40/484493740.db2.gz WLFRCBQDRNWGCH-MRXNPFEDSA-N 2 1 367.494 -0.440 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530223518 484512465 /nfs/dbraw/zinc/51/24/65/484512465.db2.gz OEXFXOIXZVIBFA-INIZCTEOSA-N 2 1 366.510 -0.818 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530223521 484512437 /nfs/dbraw/zinc/51/24/37/484512437.db2.gz OEXFXOIXZVIBFA-MRXNPFEDSA-N 2 1 366.510 -0.818 20 0 FBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000530231558 484512540 /nfs/dbraw/zinc/51/25/40/484512540.db2.gz KGSBEMAKRNYZKZ-ROUUACIJSA-N 2 1 362.474 -0.412 20 0 FBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000530231558 484512535 /nfs/dbraw/zinc/51/25/35/484512535.db2.gz KGSBEMAKRNYZKZ-ROUUACIJSA-N 2 1 362.474 -0.412 20 0 FBADMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCC(=O)N1CCCC1 ZINC000530238613 484512522 /nfs/dbraw/zinc/51/25/22/484512522.db2.gz BOPPUMZPPOJVIJ-INIZCTEOSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)NCC(=O)N1CCCC1 ZINC000530238614 484512726 /nfs/dbraw/zinc/51/27/26/484512726.db2.gz BOPPUMZPPOJVIJ-MRXNPFEDSA-N 2 1 352.479 -0.185 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000530240035 484512707 /nfs/dbraw/zinc/51/27/07/484512707.db2.gz JYMHJMBFPCLWJG-HNNXBMFYSA-N 2 1 371.507 -0.211 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000530240042 484512204 /nfs/dbraw/zinc/51/22/04/484512204.db2.gz JYMHJMBFPCLWJG-OAHLLOKOSA-N 2 1 371.507 -0.211 20 0 FBADMP CNc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@@H+]2CC=CCC2)n1 ZINC000530377517 484516981 /nfs/dbraw/zinc/51/69/81/484516981.db2.gz JMNSTYBKIHCBCY-UHFFFAOYSA-N 2 1 358.494 -0.473 20 0 FBADMP CCN1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506272 /nfs/dbraw/zinc/50/62/72/483506272.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 2 1 353.511 -0.282 20 0 FBADMP CCN1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506269 /nfs/dbraw/zinc/50/62/69/483506269.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 2 1 353.511 -0.282 20 0 FBADMP CC[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506266 /nfs/dbraw/zinc/50/62/66/483506266.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 2 1 353.511 -0.282 20 0 FBADMP CCN1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506149 /nfs/dbraw/zinc/50/61/49/483506149.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 2 1 353.511 -0.282 20 0 FBADMP CCN1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506145 /nfs/dbraw/zinc/50/61/45/483506145.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 2 1 353.511 -0.282 20 0 FBADMP CC[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506143 /nfs/dbraw/zinc/50/61/43/483506143.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 2 1 353.511 -0.282 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530584883 483507725 /nfs/dbraw/zinc/50/77/25/483507725.db2.gz RUPJKGXGBKWNQV-FQEVSTJZSA-N 2 1 374.485 -0.096 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530584883 483507717 /nfs/dbraw/zinc/50/77/17/483507717.db2.gz RUPJKGXGBKWNQV-FQEVSTJZSA-N 2 1 374.485 -0.096 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530584884 483508261 /nfs/dbraw/zinc/50/82/61/483508261.db2.gz RUPJKGXGBKWNQV-HXUWFJFHSA-N 2 1 374.485 -0.096 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530584884 483508255 /nfs/dbraw/zinc/50/82/55/483508255.db2.gz RUPJKGXGBKWNQV-HXUWFJFHSA-N 2 1 374.485 -0.096 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000530650772 483510438 /nfs/dbraw/zinc/51/04/38/483510438.db2.gz BIGGUAKGCSPEMJ-INIZCTEOSA-N 2 1 357.524 -0.113 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000530650773 483510834 /nfs/dbraw/zinc/51/08/34/483510834.db2.gz BIGGUAKGCSPEMJ-MRXNPFEDSA-N 2 1 357.524 -0.113 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000530756441 483518957 /nfs/dbraw/zinc/51/89/57/483518957.db2.gz JONSZYJYTPATFG-GOSISDBHSA-N 2 1 365.478 -0.103 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000530756446 483517903 /nfs/dbraw/zinc/51/79/03/483517903.db2.gz JONSZYJYTPATFG-SFHVURJKSA-N 2 1 365.478 -0.103 20 0 FBADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000531052581 483835892 /nfs/dbraw/zinc/83/58/92/483835892.db2.gz SAYZLZRYWYWKFK-UHFFFAOYSA-N 2 1 365.522 -0.219 20 0 FBADMP COC(=O)c1cn(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1 ZINC000531100415 483843371 /nfs/dbraw/zinc/84/33/71/483843371.db2.gz VNYQHMBPBJJQEH-UHFFFAOYSA-N 2 1 359.390 -0.150 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000531354474 483741027 /nfs/dbraw/zinc/74/10/27/483741027.db2.gz MWRUITJIQLIMOC-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000531354475 483740820 /nfs/dbraw/zinc/74/08/20/483740820.db2.gz MWRUITJIQLIMOC-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531368556 483748811 /nfs/dbraw/zinc/74/88/11/483748811.db2.gz MCBBXXFJRWGJLH-INIZCTEOSA-N 2 1 357.524 -0.067 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531368558 483748759 /nfs/dbraw/zinc/74/87/59/483748759.db2.gz MCBBXXFJRWGJLH-MRXNPFEDSA-N 2 1 357.524 -0.067 20 0 FBADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000531625210 484017292 /nfs/dbraw/zinc/01/72/92/484017292.db2.gz QELZDMRAVRSSRV-UHFFFAOYSA-N 2 1 369.510 -0.315 20 0 FBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000532532666 484481471 /nfs/dbraw/zinc/48/14/71/484481471.db2.gz UNFUJLFLZGIVST-INIZCTEOSA-N 2 1 351.495 -0.611 20 0 FBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000532532667 484480991 /nfs/dbraw/zinc/48/09/91/484480991.db2.gz UNFUJLFLZGIVST-MRXNPFEDSA-N 2 1 351.495 -0.611 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(N3CCCNC3=O)CC2)C1=O ZINC000532667927 484493213 /nfs/dbraw/zinc/49/32/13/484493213.db2.gz VDJFOJHDBQQUJS-HNNXBMFYSA-N 2 1 365.478 -0.055 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(N3CCCNC3=O)CC2)C1=O ZINC000532667928 484493277 /nfs/dbraw/zinc/49/32/77/484493277.db2.gz VDJFOJHDBQQUJS-OAHLLOKOSA-N 2 1 365.478 -0.055 20 0 FBADMP CC(C)[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@H+](CCO)C(C)C)CC1 ZINC000532929999 484632222 /nfs/dbraw/zinc/63/22/22/484632222.db2.gz DPDWPBOKKJYRPL-UHFFFAOYSA-N 2 1 372.510 -0.937 20 0 FBADMP CO[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](OC)C3)CC2)C1 ZINC000533341902 485203431 /nfs/dbraw/zinc/20/34/31/485203431.db2.gz SJPQZEBGLDMSPU-HOTGVXAUSA-N 2 1 368.478 -0.901 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(N3CCCNC3=O)CC2)C1=O ZINC000533495806 483465881 /nfs/dbraw/zinc/46/58/81/483465881.db2.gz DHDFHZJKESZAME-AWEZNQCLSA-N 2 1 351.451 -0.445 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(N3CCCNC3=O)CC2)C1=O ZINC000533495807 483465984 /nfs/dbraw/zinc/46/59/84/483465984.db2.gz DHDFHZJKESZAME-CQSZACIVSA-N 2 1 351.451 -0.445 20 0 FBADMP C[NH+](CCCC[N@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000535006257 483876485 /nfs/dbraw/zinc/87/64/85/483876485.db2.gz MMPHHKYCRKBLRA-UHFFFAOYSA-N 2 1 370.494 -0.652 20 0 FBADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000535010884 483876743 /nfs/dbraw/zinc/87/67/43/483876743.db2.gz KWFPLZYVFIDPNJ-GOSISDBHSA-N 2 1 373.501 -0.016 20 0 FBADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000535010885 483876882 /nfs/dbraw/zinc/87/68/82/483876882.db2.gz KWFPLZYVFIDPNJ-SFHVURJKSA-N 2 1 373.501 -0.016 20 0 FBADMP CC(C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NCC[NH+](C)C ZINC000535428129 483896258 /nfs/dbraw/zinc/89/62/58/483896258.db2.gz ZJNZYNVTISZJPG-CVEARBPZSA-N 2 1 370.542 -0.376 20 0 FBADMP CC(C)C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)NCC[NH+](C)C ZINC000535428130 483896062 /nfs/dbraw/zinc/89/60/62/483896062.db2.gz ZJNZYNVTISZJPG-HOTGVXAUSA-N 2 1 370.542 -0.376 20 0 FBADMP C[NH+](C)C1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000535429736 483895621 /nfs/dbraw/zinc/89/56/21/483895621.db2.gz SJCZDOXBYAJZKZ-INIZCTEOSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+](C)C1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000535429737 483895747 /nfs/dbraw/zinc/89/57/47/483895747.db2.gz SJCZDOXBYAJZKZ-MRXNPFEDSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000535430087 483895601 /nfs/dbraw/zinc/89/56/01/483895601.db2.gz NRTSUKATKFZEBQ-GOSISDBHSA-N 2 1 371.526 -0.605 20 0 FBADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000535430088 483895655 /nfs/dbraw/zinc/89/56/55/483895655.db2.gz NRTSUKATKFZEBQ-SFHVURJKSA-N 2 1 371.526 -0.605 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000535442137 483896141 /nfs/dbraw/zinc/89/61/41/483896141.db2.gz MKSKWKWLSLGFGE-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000535442144 483896311 /nfs/dbraw/zinc/89/63/11/483896311.db2.gz MKSKWKWLSLGFGE-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000536475794 483839805 /nfs/dbraw/zinc/83/98/05/483839805.db2.gz QFVKPJNNRDGJRJ-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536541427 484332153 /nfs/dbraw/zinc/33/21/53/484332153.db2.gz WWHYEWAHCWSDSO-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536541428 484330807 /nfs/dbraw/zinc/33/08/07/484330807.db2.gz WWHYEWAHCWSDSO-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CNc1nc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536986128 485232549 /nfs/dbraw/zinc/23/25/49/485232549.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536986128 485232546 /nfs/dbraw/zinc/23/25/46/485232546.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000536986128 485232542 /nfs/dbraw/zinc/23/25/42/485232542.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000536986128 485232540 /nfs/dbraw/zinc/23/25/40/485232540.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000536986128 485232534 /nfs/dbraw/zinc/23/25/34/485232534.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 2 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536986129 485232373 /nfs/dbraw/zinc/23/23/73/485232373.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536986129 485232369 /nfs/dbraw/zinc/23/23/69/485232369.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000536986129 485232363 /nfs/dbraw/zinc/23/23/63/485232363.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000536986129 485232359 /nfs/dbraw/zinc/23/23/59/485232359.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 3 1 362.526 -0.314 20 0 FBADMP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000536986129 485232353 /nfs/dbraw/zinc/23/23/53/485232353.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 2 1 362.526 -0.314 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1C ZINC000537577618 485267229 /nfs/dbraw/zinc/26/72/29/485267229.db2.gz UPSQKRYUKOMACN-CABCVRRESA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1C ZINC000537577618 485267225 /nfs/dbraw/zinc/26/72/25/485267225.db2.gz UPSQKRYUKOMACN-CABCVRRESA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000537577625 485267694 /nfs/dbraw/zinc/26/76/94/485267694.db2.gz UPSQKRYUKOMACN-GJZGRUSLSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000537577625 485267688 /nfs/dbraw/zinc/26/76/88/485267688.db2.gz UPSQKRYUKOMACN-GJZGRUSLSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1C ZINC000537577629 485267247 /nfs/dbraw/zinc/26/72/47/485267247.db2.gz UPSQKRYUKOMACN-HUUCEWRRSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1C ZINC000537577629 485267244 /nfs/dbraw/zinc/26/72/44/485267244.db2.gz UPSQKRYUKOMACN-HUUCEWRRSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000537577633 485267337 /nfs/dbraw/zinc/26/73/37/485267337.db2.gz UPSQKRYUKOMACN-LSDHHAIUSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000537577633 485267333 /nfs/dbraw/zinc/26/73/33/485267333.db2.gz UPSQKRYUKOMACN-LSDHHAIUSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000538280587 484535418 /nfs/dbraw/zinc/53/54/18/484535418.db2.gz ZEEBQFMFYLVWAG-CABCVRRESA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000538280587 484535411 /nfs/dbraw/zinc/53/54/11/484535411.db2.gz ZEEBQFMFYLVWAG-CABCVRRESA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000538280599 484535795 /nfs/dbraw/zinc/53/57/95/484535795.db2.gz ZEEBQFMFYLVWAG-GJZGRUSLSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000538280599 484535787 /nfs/dbraw/zinc/53/57/87/484535787.db2.gz ZEEBQFMFYLVWAG-GJZGRUSLSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000538280601 484535741 /nfs/dbraw/zinc/53/57/41/484535741.db2.gz ZEEBQFMFYLVWAG-HUUCEWRRSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000538280601 484535735 /nfs/dbraw/zinc/53/57/35/484535735.db2.gz ZEEBQFMFYLVWAG-HUUCEWRRSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000538280604 484535463 /nfs/dbraw/zinc/53/54/63/484535463.db2.gz ZEEBQFMFYLVWAG-LSDHHAIUSA-N 2 1 368.478 -0.508 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000538280604 484535455 /nfs/dbraw/zinc/53/54/55/484535455.db2.gz ZEEBQFMFYLVWAG-LSDHHAIUSA-N 2 1 368.478 -0.508 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468935 484542462 /nfs/dbraw/zinc/54/24/62/484542462.db2.gz VPUKGOPRSAEHFF-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468936 484542315 /nfs/dbraw/zinc/54/23/15/484542315.db2.gz VPUKGOPRSAEHFF-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314914 484569924 /nfs/dbraw/zinc/56/99/24/484569924.db2.gz RFOWJNBPOOSLNM-CABCVRRESA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314914 484569921 /nfs/dbraw/zinc/56/99/21/484569921.db2.gz RFOWJNBPOOSLNM-CABCVRRESA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314914 484569917 /nfs/dbraw/zinc/56/99/17/484569917.db2.gz RFOWJNBPOOSLNM-CABCVRRESA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314914 484569914 /nfs/dbraw/zinc/56/99/14/484569914.db2.gz RFOWJNBPOOSLNM-CABCVRRESA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314916 484570073 /nfs/dbraw/zinc/57/00/73/484570073.db2.gz RFOWJNBPOOSLNM-GJZGRUSLSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314916 484570069 /nfs/dbraw/zinc/57/00/69/484570069.db2.gz RFOWJNBPOOSLNM-GJZGRUSLSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314916 484570066 /nfs/dbraw/zinc/57/00/66/484570066.db2.gz RFOWJNBPOOSLNM-GJZGRUSLSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314916 484570060 /nfs/dbraw/zinc/57/00/60/484570060.db2.gz RFOWJNBPOOSLNM-GJZGRUSLSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314918 484569444 /nfs/dbraw/zinc/56/94/44/484569444.db2.gz RFOWJNBPOOSLNM-HUUCEWRRSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314918 484569440 /nfs/dbraw/zinc/56/94/40/484569440.db2.gz RFOWJNBPOOSLNM-HUUCEWRRSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314918 484569434 /nfs/dbraw/zinc/56/94/34/484569434.db2.gz RFOWJNBPOOSLNM-HUUCEWRRSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000539314918 484569430 /nfs/dbraw/zinc/56/94/30/484569430.db2.gz RFOWJNBPOOSLNM-HUUCEWRRSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314920 484569492 /nfs/dbraw/zinc/56/94/92/484569492.db2.gz RFOWJNBPOOSLNM-LSDHHAIUSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314920 484569483 /nfs/dbraw/zinc/56/94/83/484569483.db2.gz RFOWJNBPOOSLNM-LSDHHAIUSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314920 484569479 /nfs/dbraw/zinc/56/94/79/484569479.db2.gz RFOWJNBPOOSLNM-LSDHHAIUSA-N 2 1 356.467 -0.014 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000539314920 484569470 /nfs/dbraw/zinc/56/94/70/484569470.db2.gz RFOWJNBPOOSLNM-LSDHHAIUSA-N 2 1 356.467 -0.014 20 0 FBADMP CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631535 484603716 /nfs/dbraw/zinc/60/37/16/484603716.db2.gz WFAKCCGFMZVHKI-KBXCAEBGSA-N 2 1 369.462 -0.033 20 0 FBADMP CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631539 484603960 /nfs/dbraw/zinc/60/39/60/484603960.db2.gz WFAKCCGFMZVHKI-KDOFPFPSSA-N 2 1 369.462 -0.033 20 0 FBADMP CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631541 484603747 /nfs/dbraw/zinc/60/37/47/484603747.db2.gz WFAKCCGFMZVHKI-KSSFIOAISA-N 2 1 369.462 -0.033 20 0 FBADMP CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631543 484603413 /nfs/dbraw/zinc/60/34/13/484603413.db2.gz WFAKCCGFMZVHKI-RDTXWAMCSA-N 2 1 369.462 -0.033 20 0 FBADMP C(C[NH+]1CCN2CCOC[C@H]2C1)OCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000542631317 484652261 /nfs/dbraw/zinc/65/22/61/484652261.db2.gz BCNGHMBMMIHOHG-QZTJIDSGSA-N 2 1 354.495 -0.964 20 0 FBADMP C(C[NH+]1CCN2CCOC[C@@H]2C1)OCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000542631319 484652491 /nfs/dbraw/zinc/65/24/91/484652491.db2.gz BCNGHMBMMIHOHG-ROUUACIJSA-N 2 1 354.495 -0.964 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000542651952 484651835 /nfs/dbraw/zinc/65/18/35/484651835.db2.gz PSZWDPBQMZYVBM-CVEARBPZSA-N 2 1 355.527 -0.169 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000542651953 484652358 /nfs/dbraw/zinc/65/23/58/484652358.db2.gz PSZWDPBQMZYVBM-HOTGVXAUSA-N 2 1 355.527 -0.169 20 0 FBADMP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542783413 484655282 /nfs/dbraw/zinc/65/52/82/484655282.db2.gz WKCQWGGBNWIVSR-DLBZAZTESA-N 2 1 358.479 -0.298 20 0 FBADMP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542783418 484655197 /nfs/dbraw/zinc/65/51/97/484655197.db2.gz WKCQWGGBNWIVSR-IAGOWNOFSA-N 2 1 358.479 -0.298 20 0 FBADMP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542783419 484655134 /nfs/dbraw/zinc/65/51/34/484655134.db2.gz WKCQWGGBNWIVSR-IRXDYDNUSA-N 2 1 358.479 -0.298 20 0 FBADMP O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542783420 484654931 /nfs/dbraw/zinc/65/49/31/484654931.db2.gz WKCQWGGBNWIVSR-SJORKVTESA-N 2 1 358.479 -0.298 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000545176447 484709018 /nfs/dbraw/zinc/70/90/18/484709018.db2.gz BSNZMEAHLUSSHC-GOSISDBHSA-N 2 1 353.511 -0.089 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000545176464 484708232 /nfs/dbraw/zinc/70/82/32/484708232.db2.gz BSNZMEAHLUSSHC-SFHVURJKSA-N 2 1 353.511 -0.089 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000545177193 484710779 /nfs/dbraw/zinc/71/07/79/484710779.db2.gz QSSZSKXSTQZIFI-GOSISDBHSA-N 2 1 362.478 -0.301 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000545177194 484710406 /nfs/dbraw/zinc/71/04/06/484710406.db2.gz QSSZSKXSTQZIFI-SFHVURJKSA-N 2 1 362.478 -0.301 20 0 FBADMP CNc1nc(NCC2=CC[N@@H+](C)CC2)nc(NCC2=CC[NH+](C)CC2)[nH+]1 ZINC000545473686 484720127 /nfs/dbraw/zinc/72/01/27/484720127.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 3 1 358.494 -0.473 20 0 FBADMP CNc1nc(NCC2=CC[N@H+](C)CC2)nc(NCC2=CC[NH+](C)CC2)[nH+]1 ZINC000545473686 484720124 /nfs/dbraw/zinc/72/01/24/484720124.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 3 1 358.494 -0.473 20 0 FBADMP CNc1nc(NCC2=CC[NH+](C)CC2)nc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000545473686 484720121 /nfs/dbraw/zinc/72/01/21/484720121.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 3 1 358.494 -0.473 20 0 FBADMP CNc1nc(NCC2=CC[NH+](C)CC2)nc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000545473686 484720119 /nfs/dbraw/zinc/72/01/19/484720119.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 3 1 358.494 -0.473 20 0 FBADMP CNc1nc(NCC2=CC[NH+](C)CC2)nc(NCC2=CC[N@@H+](C)CC2)n1 ZINC000545473686 484720112 /nfs/dbraw/zinc/72/01/12/484720112.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 2 1 358.494 -0.473 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000545883782 484727125 /nfs/dbraw/zinc/72/71/25/484727125.db2.gz HYZBIMOUPAQMCS-GOSISDBHSA-N 2 1 362.478 -0.301 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000545883783 484726299 /nfs/dbraw/zinc/72/62/99/484726299.db2.gz HYZBIMOUPAQMCS-SFHVURJKSA-N 2 1 362.478 -0.301 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000546088128 484732789 /nfs/dbraw/zinc/73/27/89/484732789.db2.gz YAFHZDGZLXXGGX-CYBMUJFWSA-N 2 1 361.450 -0.094 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000546088129 484732925 /nfs/dbraw/zinc/73/29/25/484732925.db2.gz YAFHZDGZLXXGGX-ZDUSSCGKSA-N 2 1 361.450 -0.094 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228630 484737325 /nfs/dbraw/zinc/73/73/25/484737325.db2.gz ZKQOSSFIXMOQFT-AWEZNQCLSA-N 2 1 364.450 -0.088 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228630 484737318 /nfs/dbraw/zinc/73/73/18/484737318.db2.gz ZKQOSSFIXMOQFT-AWEZNQCLSA-N 2 1 364.450 -0.088 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228632 484737546 /nfs/dbraw/zinc/73/75/46/484737546.db2.gz ZKQOSSFIXMOQFT-CQSZACIVSA-N 2 1 364.450 -0.088 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228632 484737543 /nfs/dbraw/zinc/73/75/43/484737543.db2.gz ZKQOSSFIXMOQFT-CQSZACIVSA-N 2 1 364.450 -0.088 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000546588152 484742339 /nfs/dbraw/zinc/74/23/39/484742339.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC000546588152 484742337 /nfs/dbraw/zinc/74/23/37/484742337.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588152 484742335 /nfs/dbraw/zinc/74/23/35/484742335.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000546588153 484743073 /nfs/dbraw/zinc/74/30/73/484743073.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC000546588153 484743067 /nfs/dbraw/zinc/74/30/67/484743067.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588153 484743059 /nfs/dbraw/zinc/74/30/59/484743059.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000546588154 484743112 /nfs/dbraw/zinc/74/31/12/484743112.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC000546588154 484743106 /nfs/dbraw/zinc/74/31/06/484743106.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588154 484743100 /nfs/dbraw/zinc/74/31/00/484743100.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000546588155 484742541 /nfs/dbraw/zinc/74/25/41/484742541.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC000546588155 484742535 /nfs/dbraw/zinc/74/25/35/484742535.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588155 484742527 /nfs/dbraw/zinc/74/25/27/484742527.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000547286793 484757342 /nfs/dbraw/zinc/75/73/42/484757342.db2.gz HHSCCUDKNBDABT-GOSISDBHSA-N 2 1 364.446 -0.252 20 0 FBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000547286794 484756532 /nfs/dbraw/zinc/75/65/32/484756532.db2.gz HHSCCUDKNBDABT-SFHVURJKSA-N 2 1 364.446 -0.252 20 0 FBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547293126 484758879 /nfs/dbraw/zinc/75/88/79/484758879.db2.gz NVLOIWSXVGDEID-GOSISDBHSA-N 2 1 364.446 -0.122 20 0 FBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000547293127 484758985 /nfs/dbraw/zinc/75/89/85/484758985.db2.gz NVLOIWSXVGDEID-SFHVURJKSA-N 2 1 364.446 -0.122 20 0 FBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000547293290 484759112 /nfs/dbraw/zinc/75/91/12/484759112.db2.gz VGBOGSWMHFVHFY-GOSISDBHSA-N 2 1 364.446 -0.252 20 0 FBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000547293291 484758550 /nfs/dbraw/zinc/75/85/50/484758550.db2.gz VGBOGSWMHFVHFY-SFHVURJKSA-N 2 1 364.446 -0.252 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000547298655 484758328 /nfs/dbraw/zinc/75/83/28/484758328.db2.gz KCYASNWCRLMXMP-GOSISDBHSA-N 2 1 362.478 -0.301 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000547298656 484759276 /nfs/dbraw/zinc/75/92/76/484759276.db2.gz KCYASNWCRLMXMP-SFHVURJKSA-N 2 1 362.478 -0.301 20 0 FBADMP C[C@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC[N@H+]1CCO ZINC000547670639 484160074 /nfs/dbraw/zinc/16/00/74/484160074.db2.gz VOMNXESUXUZEPR-HNNXBMFYSA-N 2 1 366.466 -0.254 20 0 FBADMP OCCO[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](OCCO)C3)COC2)C1 ZINC000547749912 484778624 /nfs/dbraw/zinc/77/86/24/484778624.db2.gz ZAIZPXIXMNMVEW-QZTJIDSGSA-N 2 1 372.506 -0.050 20 0 FBADMP OCCO[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](OCCO)C3)COC2)C1 ZINC000547749912 484778620 /nfs/dbraw/zinc/77/86/20/484778620.db2.gz ZAIZPXIXMNMVEW-QZTJIDSGSA-N 2 1 372.506 -0.050 20 0 FBADMP OCCO[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](OCCO)C3)COC2)C1 ZINC000547749913 484777680 /nfs/dbraw/zinc/77/76/80/484777680.db2.gz ZAIZPXIXMNMVEW-ROUUACIJSA-N 2 1 372.506 -0.050 20 0 FBADMP OCCO[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](OCCO)C3)COC2)C1 ZINC000547749913 484777674 /nfs/dbraw/zinc/77/76/74/484777674.db2.gz ZAIZPXIXMNMVEW-ROUUACIJSA-N 2 1 372.506 -0.050 20 0 FBADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000548504758 484810383 /nfs/dbraw/zinc/81/03/83/484810383.db2.gz RWAYOAZWOKZUTJ-INIZCTEOSA-N 2 1 371.507 -0.164 20 0 FBADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000548504758 484810377 /nfs/dbraw/zinc/81/03/77/484810377.db2.gz RWAYOAZWOKZUTJ-INIZCTEOSA-N 2 1 371.507 -0.164 20 0 FBADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000548504759 484810741 /nfs/dbraw/zinc/81/07/41/484810741.db2.gz RWAYOAZWOKZUTJ-MRXNPFEDSA-N 2 1 371.507 -0.164 20 0 FBADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000548504759 484810737 /nfs/dbraw/zinc/81/07/37/484810737.db2.gz RWAYOAZWOKZUTJ-MRXNPFEDSA-N 2 1 371.507 -0.164 20 0 FBADMP CC1=CCN(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000548813500 484826013 /nfs/dbraw/zinc/82/60/13/484826013.db2.gz ZKIKDJSPKJUYMB-UHFFFAOYSA-N 2 1 353.511 -0.294 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000548813500 484826011 /nfs/dbraw/zinc/82/60/11/484826011.db2.gz ZKIKDJSPKJUYMB-UHFFFAOYSA-N 3 1 353.511 -0.294 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549785702 484846912 /nfs/dbraw/zinc/84/69/12/484846912.db2.gz DWISJXKMSPJXPZ-SJORKVTESA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549785702 484846906 /nfs/dbraw/zinc/84/69/06/484846906.db2.gz DWISJXKMSPJXPZ-SJORKVTESA-N 2 1 365.522 -0.176 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549785702 484846902 /nfs/dbraw/zinc/84/69/02/484846902.db2.gz DWISJXKMSPJXPZ-SJORKVTESA-N 2 1 365.522 -0.176 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549791357 484847111 /nfs/dbraw/zinc/84/71/11/484847111.db2.gz VDMXTMQEKBGOJA-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549791357 484847104 /nfs/dbraw/zinc/84/71/04/484847104.db2.gz VDMXTMQEKBGOJA-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549791357 484847098 /nfs/dbraw/zinc/84/70/98/484847098.db2.gz VDMXTMQEKBGOJA-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549791358 484846960 /nfs/dbraw/zinc/84/69/60/484846960.db2.gz VDMXTMQEKBGOJA-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549791358 484846956 /nfs/dbraw/zinc/84/69/56/484846956.db2.gz VDMXTMQEKBGOJA-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549791358 484846951 /nfs/dbraw/zinc/84/69/51/484846951.db2.gz VDMXTMQEKBGOJA-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549794803 484846217 /nfs/dbraw/zinc/84/62/17/484846217.db2.gz NWZDPSCAMMNAFF-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CCCNC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)S(C)(=O)=O ZINC000549841704 484850069 /nfs/dbraw/zinc/85/00/69/484850069.db2.gz YGRKGWMNPRDODK-INIZCTEOSA-N 2 1 360.524 -0.198 20 0 FBADMP CN(CCCNC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)S(C)(=O)=O ZINC000549841706 484849866 /nfs/dbraw/zinc/84/98/66/484849866.db2.gz YGRKGWMNPRDODK-MRXNPFEDSA-N 2 1 360.524 -0.198 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549875563 484850830 /nfs/dbraw/zinc/85/08/30/484850830.db2.gz VDXINOXJIWTBKE-UHFFFAOYSA-N 2 1 370.494 -0.558 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000549876680 484851041 /nfs/dbraw/zinc/85/10/41/484851041.db2.gz RCXSWVKAVFMERP-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000549876680 484851036 /nfs/dbraw/zinc/85/10/36/484851036.db2.gz RCXSWVKAVFMERP-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000549876681 484850639 /nfs/dbraw/zinc/85/06/39/484850639.db2.gz RCXSWVKAVFMERP-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000549876681 484850635 /nfs/dbraw/zinc/85/06/35/484850635.db2.gz RCXSWVKAVFMERP-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000549876682 484851470 /nfs/dbraw/zinc/85/14/70/484851470.db2.gz RCXSWVKAVFMERP-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000549876682 484851465 /nfs/dbraw/zinc/85/14/65/484851465.db2.gz RCXSWVKAVFMERP-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000549876683 484851156 /nfs/dbraw/zinc/85/11/56/484851156.db2.gz RCXSWVKAVFMERP-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000549876683 484851151 /nfs/dbraw/zinc/85/11/51/484851151.db2.gz RCXSWVKAVFMERP-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000549880100 484851303 /nfs/dbraw/zinc/85/13/03/484851303.db2.gz PMNFAJHFPDFPAK-UHFFFAOYSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000549883621 484850882 /nfs/dbraw/zinc/85/08/82/484850882.db2.gz GJFKMBVRPXGCFG-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP CC(C)[NH+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000549966825 484854152 /nfs/dbraw/zinc/85/41/52/484854152.db2.gz UTNJMGUIQJHECT-UHFFFAOYSA-N 2 1 369.510 -0.498 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549970141 484854500 /nfs/dbraw/zinc/85/45/00/484854500.db2.gz FZGRBQQMPUQQCL-DLBZAZTESA-N 2 1 361.490 -0.233 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549970146 484854827 /nfs/dbraw/zinc/85/48/27/484854827.db2.gz FZGRBQQMPUQQCL-IAGOWNOFSA-N 2 1 361.490 -0.233 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549970147 484854267 /nfs/dbraw/zinc/85/42/67/484854267.db2.gz FZGRBQQMPUQQCL-IRXDYDNUSA-N 2 1 361.490 -0.233 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549970148 484853877 /nfs/dbraw/zinc/85/38/77/484853877.db2.gz FZGRBQQMPUQQCL-SJORKVTESA-N 2 1 361.490 -0.233 20 0 FBADMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@@H](C)CO)CC1)[C@@H](C)CO ZINC000549977605 484854793 /nfs/dbraw/zinc/85/47/93/484854793.db2.gz RTEJNDHVUBXAMZ-HOTGVXAUSA-N 2 1 372.510 -0.937 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000549991846 484856032 /nfs/dbraw/zinc/85/60/32/484856032.db2.gz VOVHLNSVMUVMLC-UHFFFAOYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000549991855 484856285 /nfs/dbraw/zinc/85/62/85/484856285.db2.gz WCGOFBTUFCLQFT-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008784 484855297 /nfs/dbraw/zinc/85/52/97/484855297.db2.gz HXUGHNANDSAFAJ-HNNXBMFYSA-N 2 1 352.483 -0.154 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008785 484855663 /nfs/dbraw/zinc/85/56/63/484855663.db2.gz HXUGHNANDSAFAJ-OAHLLOKOSA-N 2 1 352.483 -0.154 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000550032821 484856351 /nfs/dbraw/zinc/85/63/51/484856351.db2.gz YKKRZEONUKNISQ-KRWDZBQOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000550032823 484856189 /nfs/dbraw/zinc/85/61/89/484856189.db2.gz YKKRZEONUKNISQ-QGZVFWFLSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000550040627 484855960 /nfs/dbraw/zinc/85/59/60/484855960.db2.gz DGVUUXOELDFOKI-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000550131806 484859329 /nfs/dbraw/zinc/85/93/29/484859329.db2.gz AKRDCTMIWZSZHD-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000550131806 484859325 /nfs/dbraw/zinc/85/93/25/484859325.db2.gz AKRDCTMIWZSZHD-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000550131807 484858620 /nfs/dbraw/zinc/85/86/20/484858620.db2.gz AKRDCTMIWZSZHD-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000550131807 484858611 /nfs/dbraw/zinc/85/86/11/484858611.db2.gz AKRDCTMIWZSZHD-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000550131808 484859143 /nfs/dbraw/zinc/85/91/43/484859143.db2.gz AKRDCTMIWZSZHD-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000550131808 484859139 /nfs/dbraw/zinc/85/91/39/484859139.db2.gz AKRDCTMIWZSZHD-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000550131809 484859495 /nfs/dbraw/zinc/85/94/95/484859495.db2.gz AKRDCTMIWZSZHD-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000550131809 484859488 /nfs/dbraw/zinc/85/94/88/484859488.db2.gz AKRDCTMIWZSZHD-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000550264767 484865855 /nfs/dbraw/zinc/86/58/55/484865855.db2.gz IMERACZIQMXUSV-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000550264768 484865900 /nfs/dbraw/zinc/86/59/00/484865900.db2.gz IMERACZIQMXUSV-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550266412 484866253 /nfs/dbraw/zinc/86/62/53/484866253.db2.gz PDBLTFZFKYDQFX-INIZCTEOSA-N 2 1 352.479 -0.231 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550266413 484866570 /nfs/dbraw/zinc/86/65/70/484866570.db2.gz PDBLTFZFKYDQFX-MRXNPFEDSA-N 2 1 352.479 -0.231 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550269145 484867452 /nfs/dbraw/zinc/86/74/52/484867452.db2.gz BCEATFOLHGJNDW-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550269145 484867448 /nfs/dbraw/zinc/86/74/48/484867448.db2.gz BCEATFOLHGJNDW-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550269983 484867012 /nfs/dbraw/zinc/86/70/12/484867012.db2.gz DJPPXOMERMIVNC-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550269984 484868121 /nfs/dbraw/zinc/86/81/21/484868121.db2.gz DJPPXOMERMIVNC-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550270219 484867833 /nfs/dbraw/zinc/86/78/33/484867833.db2.gz JOSLDXSCNFBENM-INIZCTEOSA-N 2 1 354.495 -0.081 20 0 FBADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550270219 484867830 /nfs/dbraw/zinc/86/78/30/484867830.db2.gz JOSLDXSCNFBENM-INIZCTEOSA-N 2 1 354.495 -0.081 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550270220 484867895 /nfs/dbraw/zinc/86/78/95/484867895.db2.gz JOSLDXSCNFBENM-MRXNPFEDSA-N 2 1 354.495 -0.081 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550270220 484867889 /nfs/dbraw/zinc/86/78/89/484867889.db2.gz JOSLDXSCNFBENM-MRXNPFEDSA-N 2 1 354.495 -0.081 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550270488 658985121 /nfs/dbraw/zinc/98/51/21/658985121.db2.gz YJQZZWVDZQTPGK-UHFFFAOYSA-N 2 1 356.467 -0.948 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550272968 484867241 /nfs/dbraw/zinc/86/72/41/484867241.db2.gz MBGNCTMPCYJMDM-UHFFFAOYSA-N 2 1 370.494 -0.870 20 0 FBADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550272968 484867234 /nfs/dbraw/zinc/86/72/34/484867234.db2.gz MBGNCTMPCYJMDM-UHFFFAOYSA-N 2 1 370.494 -0.870 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550349432 484871721 /nfs/dbraw/zinc/87/17/21/484871721.db2.gz PQKWEVIDRXAUEV-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550349433 484871790 /nfs/dbraw/zinc/87/17/90/484871790.db2.gz PQKWEVIDRXAUEV-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000550372476 484874622 /nfs/dbraw/zinc/87/46/22/484874622.db2.gz RLORYJYYUCCJJY-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000550372476 484874620 /nfs/dbraw/zinc/87/46/20/484874620.db2.gz RLORYJYYUCCJJY-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550382979 484876061 /nfs/dbraw/zinc/87/60/61/484876061.db2.gz AXXWIEOUCNBCLD-INIZCTEOSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550382980 484876029 /nfs/dbraw/zinc/87/60/29/484876029.db2.gz AXXWIEOUCNBCLD-MRXNPFEDSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550383400 484875666 /nfs/dbraw/zinc/87/56/66/484875666.db2.gz IUYHGUUWUJKSMX-KRWDZBQOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550383401 484874916 /nfs/dbraw/zinc/87/49/16/484874916.db2.gz IUYHGUUWUJKSMX-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384121 484875942 /nfs/dbraw/zinc/87/59/42/484875942.db2.gz ZPQBIXGQMAZZLQ-BBWFWOEESA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384121 484875940 /nfs/dbraw/zinc/87/59/40/484875940.db2.gz ZPQBIXGQMAZZLQ-BBWFWOEESA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384121 484875934 /nfs/dbraw/zinc/87/59/34/484875934.db2.gz ZPQBIXGQMAZZLQ-BBWFWOEESA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384122 484875826 /nfs/dbraw/zinc/87/58/26/484875826.db2.gz ZPQBIXGQMAZZLQ-IKGGRYGDSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384122 484875825 /nfs/dbraw/zinc/87/58/25/484875825.db2.gz ZPQBIXGQMAZZLQ-IKGGRYGDSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384122 484875811 /nfs/dbraw/zinc/87/58/11/484875811.db2.gz ZPQBIXGQMAZZLQ-IKGGRYGDSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384123 484875919 /nfs/dbraw/zinc/87/59/19/484875919.db2.gz ZPQBIXGQMAZZLQ-ULQDDVLXSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384123 484875917 /nfs/dbraw/zinc/87/59/17/484875917.db2.gz ZPQBIXGQMAZZLQ-ULQDDVLXSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384123 484875911 /nfs/dbraw/zinc/87/59/11/484875911.db2.gz ZPQBIXGQMAZZLQ-ULQDDVLXSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384124 484875867 /nfs/dbraw/zinc/87/58/67/484875867.db2.gz ZPQBIXGQMAZZLQ-ZACQAIPSSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550384124 484875865 /nfs/dbraw/zinc/87/58/65/484875865.db2.gz ZPQBIXGQMAZZLQ-ZACQAIPSSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384124 484875855 /nfs/dbraw/zinc/87/58/55/484875855.db2.gz ZPQBIXGQMAZZLQ-ZACQAIPSSA-N 2 1 367.538 -0.027 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000550387660 484875765 /nfs/dbraw/zinc/87/57/65/484875765.db2.gz QXDIQLDVLFTUHS-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000550410260 484875735 /nfs/dbraw/zinc/87/57/35/484875735.db2.gz RCUKMBHINKRMTF-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000550410261 484876177 /nfs/dbraw/zinc/87/61/77/484876177.db2.gz RCUKMBHINKRMTF-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000550417101 484877760 /nfs/dbraw/zinc/87/77/60/484877760.db2.gz YVXNVVDODJJEQR-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000550417101 484877754 /nfs/dbraw/zinc/87/77/54/484877754.db2.gz YVXNVVDODJJEQR-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000550417102 484877019 /nfs/dbraw/zinc/87/70/19/484877019.db2.gz YVXNVVDODJJEQR-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000550417102 484877015 /nfs/dbraw/zinc/87/70/15/484877015.db2.gz YVXNVVDODJJEQR-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550456153 484878204 /nfs/dbraw/zinc/87/82/04/484878204.db2.gz HKNVQLDZIYBFPR-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550456153 484878201 /nfs/dbraw/zinc/87/82/01/484878201.db2.gz HKNVQLDZIYBFPR-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456153 484878197 /nfs/dbraw/zinc/87/81/97/484878197.db2.gz HKNVQLDZIYBFPR-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550456158 484878498 /nfs/dbraw/zinc/87/84/98/484878498.db2.gz HKNVQLDZIYBFPR-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550456158 484878493 /nfs/dbraw/zinc/87/84/93/484878493.db2.gz HKNVQLDZIYBFPR-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456158 484878488 /nfs/dbraw/zinc/87/84/88/484878488.db2.gz HKNVQLDZIYBFPR-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550456160 484879099 /nfs/dbraw/zinc/87/90/99/484879099.db2.gz HKNVQLDZIYBFPR-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550456160 484879095 /nfs/dbraw/zinc/87/90/95/484879095.db2.gz HKNVQLDZIYBFPR-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456160 484879091 /nfs/dbraw/zinc/87/90/91/484879091.db2.gz HKNVQLDZIYBFPR-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550456162 484879358 /nfs/dbraw/zinc/87/93/58/484879358.db2.gz HKNVQLDZIYBFPR-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550456162 484879355 /nfs/dbraw/zinc/87/93/55/484879355.db2.gz HKNVQLDZIYBFPR-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456162 484879351 /nfs/dbraw/zinc/87/93/51/484879351.db2.gz HKNVQLDZIYBFPR-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550456247 484878605 /nfs/dbraw/zinc/87/86/05/484878605.db2.gz BVJWAZQNNIBEHH-HNNXBMFYSA-N 2 1 351.451 -0.219 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550456247 484878602 /nfs/dbraw/zinc/87/86/02/484878602.db2.gz BVJWAZQNNIBEHH-HNNXBMFYSA-N 2 1 351.451 -0.219 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550456249 484879330 /nfs/dbraw/zinc/87/93/30/484879330.db2.gz BVJWAZQNNIBEHH-OAHLLOKOSA-N 2 1 351.451 -0.219 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550456249 484879325 /nfs/dbraw/zinc/87/93/25/484879325.db2.gz BVJWAZQNNIBEHH-OAHLLOKOSA-N 2 1 351.451 -0.219 20 0 FBADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000550464523 659017802 /nfs/dbraw/zinc/01/78/02/659017802.db2.gz WCNHDUIBGJZQMV-INIZCTEOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000550464524 659017639 /nfs/dbraw/zinc/01/76/39/659017639.db2.gz WCNHDUIBGJZQMV-MRXNPFEDSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479550 659021887 /nfs/dbraw/zinc/02/18/87/659021887.db2.gz MFCQTHRBPKDPHI-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479551 659021538 /nfs/dbraw/zinc/02/15/38/659021538.db2.gz MFCQTHRBPKDPHI-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000550496149 484881490 /nfs/dbraw/zinc/88/14/90/484881490.db2.gz ZHOAJQCWSWZKDF-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550515316 484883220 /nfs/dbraw/zinc/88/32/20/484883220.db2.gz WIADEOPGYJWIOZ-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550515316 484883216 /nfs/dbraw/zinc/88/32/16/484883216.db2.gz WIADEOPGYJWIOZ-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550515316 484883210 /nfs/dbraw/zinc/88/32/10/484883210.db2.gz WIADEOPGYJWIOZ-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000550518258 484882594 /nfs/dbraw/zinc/88/25/94/484882594.db2.gz XOBWJBQIIKGZCY-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519851 484882638 /nfs/dbraw/zinc/88/26/38/484882638.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519851 484882636 /nfs/dbraw/zinc/88/26/36/484882636.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519851 484882630 /nfs/dbraw/zinc/88/26/30/484882630.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519852 484883353 /nfs/dbraw/zinc/88/33/53/484883353.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519852 484883349 /nfs/dbraw/zinc/88/33/49/484883349.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519852 484883343 /nfs/dbraw/zinc/88/33/43/484883343.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000550552346 484885307 /nfs/dbraw/zinc/88/53/07/484885307.db2.gz UFQDMCSPNHBPRH-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000550552346 484885302 /nfs/dbraw/zinc/88/53/02/484885302.db2.gz UFQDMCSPNHBPRH-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000550552346 484885296 /nfs/dbraw/zinc/88/52/96/484885296.db2.gz UFQDMCSPNHBPRH-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550553908 484883929 /nfs/dbraw/zinc/88/39/29/484883929.db2.gz GQFUQWAXHDYFGQ-HNNXBMFYSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550553913 484885016 /nfs/dbraw/zinc/88/50/16/484885016.db2.gz GQFUQWAXHDYFGQ-OAHLLOKOSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550562724 484885126 /nfs/dbraw/zinc/88/51/26/484885126.db2.gz BZQQAHDUHHNOMO-KRWDZBQOSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550562725 484884331 /nfs/dbraw/zinc/88/43/31/484884331.db2.gz BZQQAHDUHHNOMO-QGZVFWFLSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000550582875 484886513 /nfs/dbraw/zinc/88/65/13/484886513.db2.gz WFRQYVYCWUQNSI-GASCZTMLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000550582875 484886511 /nfs/dbraw/zinc/88/65/11/484886511.db2.gz WFRQYVYCWUQNSI-GASCZTMLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000550582877 484885835 /nfs/dbraw/zinc/88/58/35/484885835.db2.gz WFRQYVYCWUQNSI-GJZGRUSLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C[C@@H](C)O1 ZINC000550582878 484886123 /nfs/dbraw/zinc/88/61/23/484886123.db2.gz WFRQYVYCWUQNSI-HUUCEWRRSA-N 2 1 372.510 -0.315 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000550628200 484886247 /nfs/dbraw/zinc/88/62/47/484886247.db2.gz GUXUBNHMQGXRPK-UHFFFAOYSA-N 2 1 367.538 -0.022 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645322 484888399 /nfs/dbraw/zinc/88/83/99/484888399.db2.gz AZKALOUWSDOIJT-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645322 484888392 /nfs/dbraw/zinc/88/83/92/484888392.db2.gz AZKALOUWSDOIJT-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645325 484888268 /nfs/dbraw/zinc/88/82/68/484888268.db2.gz AZKALOUWSDOIJT-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645325 484888262 /nfs/dbraw/zinc/88/82/62/484888262.db2.gz AZKALOUWSDOIJT-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645930 484888356 /nfs/dbraw/zinc/88/83/56/484888356.db2.gz PSQVALMZFJRHSH-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645931 484887434 /nfs/dbraw/zinc/88/74/34/484887434.db2.gz PSQVALMZFJRHSH-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645932 484887795 /nfs/dbraw/zinc/88/77/95/484887795.db2.gz PSQVALMZFJRHSH-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000550645933 484888235 /nfs/dbraw/zinc/88/82/35/484888235.db2.gz PSQVALMZFJRHSH-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000550645947 484887712 /nfs/dbraw/zinc/88/77/12/484887712.db2.gz QKVAWFQMIOXROL-KBPBESRZSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000550645947 484887709 /nfs/dbraw/zinc/88/77/09/484887709.db2.gz QKVAWFQMIOXROL-KBPBESRZSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000550645948 484887521 /nfs/dbraw/zinc/88/75/21/484887521.db2.gz QKVAWFQMIOXROL-KGLIPLIRSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000550645948 484887513 /nfs/dbraw/zinc/88/75/13/484887513.db2.gz QKVAWFQMIOXROL-KGLIPLIRSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000550645949 484888337 /nfs/dbraw/zinc/88/83/37/484888337.db2.gz QKVAWFQMIOXROL-UONOGXRCSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000550645949 484888331 /nfs/dbraw/zinc/88/83/31/484888331.db2.gz QKVAWFQMIOXROL-UONOGXRCSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000550645950 484887927 /nfs/dbraw/zinc/88/79/27/484887927.db2.gz QKVAWFQMIOXROL-ZIAGYGMSSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000550645950 484887922 /nfs/dbraw/zinc/88/79/22/484887922.db2.gz QKVAWFQMIOXROL-ZIAGYGMSSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000550652510 484888044 /nfs/dbraw/zinc/88/80/44/484888044.db2.gz LKOWQEJTQWSMIO-INIZCTEOSA-N 3 1 355.527 -0.214 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000550652511 484887894 /nfs/dbraw/zinc/88/78/94/484887894.db2.gz LKOWQEJTQWSMIO-MRXNPFEDSA-N 3 1 355.527 -0.214 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000550654046 484887879 /nfs/dbraw/zinc/88/78/79/484887879.db2.gz PWMIPKMJSZWMRT-HNNXBMFYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000550654046 484887876 /nfs/dbraw/zinc/88/78/76/484887876.db2.gz PWMIPKMJSZWMRT-HNNXBMFYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000550654047 484887782 /nfs/dbraw/zinc/88/77/82/484887782.db2.gz PWMIPKMJSZWMRT-OAHLLOKOSA-N 2 1 354.495 -0.250 20 0 FBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000550654047 484887776 /nfs/dbraw/zinc/88/77/76/484887776.db2.gz PWMIPKMJSZWMRT-OAHLLOKOSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550669736 484889689 /nfs/dbraw/zinc/88/96/89/484889689.db2.gz YACWUSFAEADUJF-CQSZACIVSA-N 2 1 355.483 -0.887 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550672136 484889573 /nfs/dbraw/zinc/88/95/73/484889573.db2.gz VIBQFXXSTHYDSU-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550674438 484889607 /nfs/dbraw/zinc/88/96/07/484889607.db2.gz JMTBPVNAECGXGV-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550674438 484889601 /nfs/dbraw/zinc/88/96/01/484889601.db2.gz JMTBPVNAECGXGV-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550731848 484893032 /nfs/dbraw/zinc/89/30/32/484893032.db2.gz AKHWVNBRFWZKSN-UHFFFAOYSA-N 2 1 365.478 -0.990 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000550782072 484896911 /nfs/dbraw/zinc/89/69/11/484896911.db2.gz QNKIMTOXLBBOBF-KRWDZBQOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000550782072 484896908 /nfs/dbraw/zinc/89/69/08/484896908.db2.gz QNKIMTOXLBBOBF-KRWDZBQOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000550782073 484898018 /nfs/dbraw/zinc/89/80/18/484898018.db2.gz QNKIMTOXLBBOBF-QGZVFWFLSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000550782073 484898013 /nfs/dbraw/zinc/89/80/13/484898013.db2.gz QNKIMTOXLBBOBF-QGZVFWFLSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000550782849 484897417 /nfs/dbraw/zinc/89/74/17/484897417.db2.gz AOEJJXYZSBJUTB-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000550782849 484897408 /nfs/dbraw/zinc/89/74/08/484897408.db2.gz AOEJJXYZSBJUTB-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000550782849 484897399 /nfs/dbraw/zinc/89/73/99/484897399.db2.gz AOEJJXYZSBJUTB-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000550782851 484896943 /nfs/dbraw/zinc/89/69/43/484896943.db2.gz AOEJJXYZSBJUTB-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000550782851 484896939 /nfs/dbraw/zinc/89/69/39/484896939.db2.gz AOEJJXYZSBJUTB-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000550782851 484896934 /nfs/dbraw/zinc/89/69/34/484896934.db2.gz AOEJJXYZSBJUTB-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550783057 484898764 /nfs/dbraw/zinc/89/87/64/484898764.db2.gz YPMINURUKBOICX-INIZCTEOSA-N 2 1 365.522 -0.127 20 0 FBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550783058 484897258 /nfs/dbraw/zinc/89/72/58/484897258.db2.gz YPMINURUKBOICX-MRXNPFEDSA-N 2 1 365.522 -0.127 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000550785406 484897365 /nfs/dbraw/zinc/89/73/65/484897365.db2.gz SNZDCXVHLIEZGW-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000550785406 484897359 /nfs/dbraw/zinc/89/73/59/484897359.db2.gz SNZDCXVHLIEZGW-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000550785406 484897351 /nfs/dbraw/zinc/89/73/51/484897351.db2.gz SNZDCXVHLIEZGW-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000550785407 484898851 /nfs/dbraw/zinc/89/88/51/484898851.db2.gz SNZDCXVHLIEZGW-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000550785407 484898845 /nfs/dbraw/zinc/89/88/45/484898845.db2.gz SNZDCXVHLIEZGW-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000550785407 484898840 /nfs/dbraw/zinc/89/88/40/484898840.db2.gz SNZDCXVHLIEZGW-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000550785408 484897933 /nfs/dbraw/zinc/89/79/33/484897933.db2.gz SNZDCXVHLIEZGW-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000550785408 484897928 /nfs/dbraw/zinc/89/79/28/484897928.db2.gz SNZDCXVHLIEZGW-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000550785408 484897924 /nfs/dbraw/zinc/89/79/24/484897924.db2.gz SNZDCXVHLIEZGW-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000550785409 484897739 /nfs/dbraw/zinc/89/77/39/484897739.db2.gz SNZDCXVHLIEZGW-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000550785409 484897731 /nfs/dbraw/zinc/89/77/31/484897731.db2.gz SNZDCXVHLIEZGW-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000550785409 484897724 /nfs/dbraw/zinc/89/77/24/484897724.db2.gz SNZDCXVHLIEZGW-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC(C)Nc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc(NCCO)[nH+]1 ZINC000550786683 484897457 /nfs/dbraw/zinc/89/74/57/484897457.db2.gz NIIBAIJSWFFFOC-AWEZNQCLSA-N 2 1 365.482 -0.902 20 0 FBADMP CC(C)Nc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(NCCO)[nH+]1 ZINC000550786684 484897094 /nfs/dbraw/zinc/89/70/94/484897094.db2.gz NIIBAIJSWFFFOC-CQSZACIVSA-N 2 1 365.482 -0.902 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550806659 484899305 /nfs/dbraw/zinc/89/93/05/484899305.db2.gz FUHYBSWVQSCSCT-UHFFFAOYSA-N 2 1 367.494 -0.695 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000550807109 484900228 /nfs/dbraw/zinc/90/02/28/484900228.db2.gz LEYAUXZVPOIOFW-UHFFFAOYSA-N 2 1 369.510 -0.641 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807485 484899448 /nfs/dbraw/zinc/89/94/48/484899448.db2.gz XTFPXVBROXYXCW-CYBMUJFWSA-N 2 1 355.483 -0.841 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807485 484899445 /nfs/dbraw/zinc/89/94/45/484899445.db2.gz XTFPXVBROXYXCW-CYBMUJFWSA-N 2 1 355.483 -0.841 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807486 484900140 /nfs/dbraw/zinc/90/01/40/484900140.db2.gz XTFPXVBROXYXCW-ZDUSSCGKSA-N 2 1 355.483 -0.841 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807486 484900137 /nfs/dbraw/zinc/90/01/37/484900137.db2.gz XTFPXVBROXYXCW-ZDUSSCGKSA-N 2 1 355.483 -0.841 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000550807588 484900117 /nfs/dbraw/zinc/90/01/17/484900117.db2.gz CHAIOUATMKTGKH-UHFFFAOYSA-N 2 1 367.494 -0.696 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000550807588 484900109 /nfs/dbraw/zinc/90/01/09/484900109.db2.gz CHAIOUATMKTGKH-UHFFFAOYSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807742 484899722 /nfs/dbraw/zinc/89/97/22/484899722.db2.gz ASJFHMGXGMJKPZ-HNNXBMFYSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807742 484899716 /nfs/dbraw/zinc/89/97/16/484899716.db2.gz ASJFHMGXGMJKPZ-HNNXBMFYSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807743 484899361 /nfs/dbraw/zinc/89/93/61/484899361.db2.gz ASJFHMGXGMJKPZ-OAHLLOKOSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000550807743 484899354 /nfs/dbraw/zinc/89/93/54/484899354.db2.gz ASJFHMGXGMJKPZ-OAHLLOKOSA-N 2 1 367.494 -0.696 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550808067 484900321 /nfs/dbraw/zinc/90/03/21/484900321.db2.gz OIIILWQDQALSEZ-GXTWGEPZSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550808067 484900313 /nfs/dbraw/zinc/90/03/13/484900313.db2.gz OIIILWQDQALSEZ-GXTWGEPZSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550808068 484899603 /nfs/dbraw/zinc/89/96/03/484899603.db2.gz OIIILWQDQALSEZ-JSGCOSHPSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550808068 484899596 /nfs/dbraw/zinc/89/95/96/484899596.db2.gz OIIILWQDQALSEZ-JSGCOSHPSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550808069 484899861 /nfs/dbraw/zinc/89/98/61/484899861.db2.gz OIIILWQDQALSEZ-OCCSQVGLSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550808069 484899857 /nfs/dbraw/zinc/89/98/57/484899857.db2.gz OIIILWQDQALSEZ-OCCSQVGLSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550808070 484900254 /nfs/dbraw/zinc/90/02/54/484900254.db2.gz OIIILWQDQALSEZ-TZMCWYRMSA-N 2 1 365.478 -0.946 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550808070 484900250 /nfs/dbraw/zinc/90/02/50/484900250.db2.gz OIIILWQDQALSEZ-TZMCWYRMSA-N 2 1 365.478 -0.946 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000550808076 484900151 /nfs/dbraw/zinc/90/01/51/484900151.db2.gz OMKKPEXCHPEODU-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000550808077 484899697 /nfs/dbraw/zinc/89/96/97/484899697.db2.gz OMKKPEXCHPEODU-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000550808458 484900208 /nfs/dbraw/zinc/90/02/08/484900208.db2.gz XIKUXZVQAKIONF-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835382 484902906 /nfs/dbraw/zinc/90/29/06/484902906.db2.gz IXILCJOLRSHCIW-BBRMVZONSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835388 484903235 /nfs/dbraw/zinc/90/32/35/484903235.db2.gz IXILCJOLRSHCIW-CJNGLKHVSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835390 484900819 /nfs/dbraw/zinc/90/08/19/484900819.db2.gz IXILCJOLRSHCIW-CZUORRHYSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835391 484903074 /nfs/dbraw/zinc/90/30/74/484903074.db2.gz IXILCJOLRSHCIW-XJKSGUPXSA-N 2 1 358.508 -0.623 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550877722 484904927 /nfs/dbraw/zinc/90/49/27/484904927.db2.gz UWSXHVLKGHBTEQ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550877722 484904920 /nfs/dbraw/zinc/90/49/20/484904920.db2.gz UWSXHVLKGHBTEQ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000550877722 484904915 /nfs/dbraw/zinc/90/49/15/484904915.db2.gz UWSXHVLKGHBTEQ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550877723 484904831 /nfs/dbraw/zinc/90/48/31/484904831.db2.gz UWSXHVLKGHBTEQ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550877723 484904823 /nfs/dbraw/zinc/90/48/23/484904823.db2.gz UWSXHVLKGHBTEQ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550877723 484904819 /nfs/dbraw/zinc/90/48/19/484904819.db2.gz UWSXHVLKGHBTEQ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550879337 484904793 /nfs/dbraw/zinc/90/47/93/484904793.db2.gz VSNJQJIHLWHFSQ-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000550880171 484906306 /nfs/dbraw/zinc/90/63/06/484906306.db2.gz IZKILPWOJXBLAO-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000550880171 484906302 /nfs/dbraw/zinc/90/63/02/484906302.db2.gz IZKILPWOJXBLAO-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550880171 484906296 /nfs/dbraw/zinc/90/62/96/484906296.db2.gz IZKILPWOJXBLAO-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550901125 484906146 /nfs/dbraw/zinc/90/61/46/484906146.db2.gz GPELWKZSGFFBFJ-AWEZNQCLSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550901125 484906139 /nfs/dbraw/zinc/90/61/39/484906139.db2.gz GPELWKZSGFFBFJ-AWEZNQCLSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550901127 484906782 /nfs/dbraw/zinc/90/67/82/484906782.db2.gz GPELWKZSGFFBFJ-CQSZACIVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550901127 484906775 /nfs/dbraw/zinc/90/67/75/484906775.db2.gz GPELWKZSGFFBFJ-CQSZACIVSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000550901150 484906617 /nfs/dbraw/zinc/90/66/17/484906617.db2.gz GTMQEBYWWBAVDW-HNNXBMFYSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000550901150 484906612 /nfs/dbraw/zinc/90/66/12/484906612.db2.gz GTMQEBYWWBAVDW-HNNXBMFYSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000550901151 484906707 /nfs/dbraw/zinc/90/67/07/484906707.db2.gz GTMQEBYWWBAVDW-OAHLLOKOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000550901151 484906702 /nfs/dbraw/zinc/90/67/02/484906702.db2.gz GTMQEBYWWBAVDW-OAHLLOKOSA-N 2 1 364.490 -0.090 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903858 484908440 /nfs/dbraw/zinc/90/84/40/484908440.db2.gz KOHMQCXPUFTBSE-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903858 484908432 /nfs/dbraw/zinc/90/84/32/484908432.db2.gz KOHMQCXPUFTBSE-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903858 484908422 /nfs/dbraw/zinc/90/84/22/484908422.db2.gz KOHMQCXPUFTBSE-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903859 484908123 /nfs/dbraw/zinc/90/81/23/484908123.db2.gz KOHMQCXPUFTBSE-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903859 484908114 /nfs/dbraw/zinc/90/81/14/484908114.db2.gz KOHMQCXPUFTBSE-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903859 484908108 /nfs/dbraw/zinc/90/81/08/484908108.db2.gz KOHMQCXPUFTBSE-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903860 484907573 /nfs/dbraw/zinc/90/75/73/484907573.db2.gz KOHMQCXPUFTBSE-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903860 484907568 /nfs/dbraw/zinc/90/75/68/484907568.db2.gz KOHMQCXPUFTBSE-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903860 484907564 /nfs/dbraw/zinc/90/75/64/484907564.db2.gz KOHMQCXPUFTBSE-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903861 484907683 /nfs/dbraw/zinc/90/76/83/484907683.db2.gz KOHMQCXPUFTBSE-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903861 484907679 /nfs/dbraw/zinc/90/76/79/484907679.db2.gz KOHMQCXPUFTBSE-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903861 484907676 /nfs/dbraw/zinc/90/76/76/484907676.db2.gz KOHMQCXPUFTBSE-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904110 484907811 /nfs/dbraw/zinc/90/78/11/484907811.db2.gz RXFVXXAYPGIVJQ-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904110 484907809 /nfs/dbraw/zinc/90/78/09/484907809.db2.gz RXFVXXAYPGIVJQ-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000550904110 484907806 /nfs/dbraw/zinc/90/78/06/484907806.db2.gz RXFVXXAYPGIVJQ-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000550904110 484907803 /nfs/dbraw/zinc/90/78/03/484907803.db2.gz RXFVXXAYPGIVJQ-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904111 484907373 /nfs/dbraw/zinc/90/73/73/484907373.db2.gz RXFVXXAYPGIVJQ-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904111 484907367 /nfs/dbraw/zinc/90/73/67/484907367.db2.gz RXFVXXAYPGIVJQ-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000550904111 484907362 /nfs/dbraw/zinc/90/73/62/484907362.db2.gz RXFVXXAYPGIVJQ-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000550904111 484907353 /nfs/dbraw/zinc/90/73/53/484907353.db2.gz RXFVXXAYPGIVJQ-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904112 484907730 /nfs/dbraw/zinc/90/77/30/484907730.db2.gz RXFVXXAYPGIVJQ-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904112 484907726 /nfs/dbraw/zinc/90/77/26/484907726.db2.gz RXFVXXAYPGIVJQ-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000550904112 484907723 /nfs/dbraw/zinc/90/77/23/484907723.db2.gz RXFVXXAYPGIVJQ-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000550904112 484907717 /nfs/dbraw/zinc/90/77/17/484907717.db2.gz RXFVXXAYPGIVJQ-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904113 484907614 /nfs/dbraw/zinc/90/76/14/484907614.db2.gz RXFVXXAYPGIVJQ-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000550904113 484907609 /nfs/dbraw/zinc/90/76/09/484907609.db2.gz RXFVXXAYPGIVJQ-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000550904113 484907604 /nfs/dbraw/zinc/90/76/04/484907604.db2.gz RXFVXXAYPGIVJQ-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000550904113 484907598 /nfs/dbraw/zinc/90/75/98/484907598.db2.gz RXFVXXAYPGIVJQ-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000550904239 484908184 /nfs/dbraw/zinc/90/81/84/484908184.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000550904239 484908174 /nfs/dbraw/zinc/90/81/74/484908174.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000550904239 484908164 /nfs/dbraw/zinc/90/81/64/484908164.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000550904240 484908028 /nfs/dbraw/zinc/90/80/28/484908028.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000550904240 484908022 /nfs/dbraw/zinc/90/80/22/484908022.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000550904240 484908017 /nfs/dbraw/zinc/90/80/17/484908017.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000551014006 484910867 /nfs/dbraw/zinc/91/08/67/484910867.db2.gz OGPKALZMOLRIBT-INIZCTEOSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000551014009 484911583 /nfs/dbraw/zinc/91/15/83/484911583.db2.gz OGPKALZMOLRIBT-MRXNPFEDSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000551014277 484911177 /nfs/dbraw/zinc/91/11/77/484911177.db2.gz RBVRRNDECRCAMD-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000551014277 484911173 /nfs/dbraw/zinc/91/11/73/484911173.db2.gz RBVRRNDECRCAMD-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000551014277 484911168 /nfs/dbraw/zinc/91/11/68/484911168.db2.gz RBVRRNDECRCAMD-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000551014278 484912003 /nfs/dbraw/zinc/91/20/03/484912003.db2.gz RBVRRNDECRCAMD-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000551014278 484911996 /nfs/dbraw/zinc/91/19/96/484911996.db2.gz RBVRRNDECRCAMD-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000551014278 484911986 /nfs/dbraw/zinc/91/19/86/484911986.db2.gz RBVRRNDECRCAMD-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000551022775 484911555 /nfs/dbraw/zinc/91/15/55/484911555.db2.gz HKETVBKBLXRDEF-UHFFFAOYSA-N 2 1 351.451 -0.075 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000551029839 484913355 /nfs/dbraw/zinc/91/33/55/484913355.db2.gz AXHBHQWOKWLAIM-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000551029840 484913219 /nfs/dbraw/zinc/91/32/19/484913219.db2.gz AXHBHQWOKWLAIM-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030010 484913678 /nfs/dbraw/zinc/91/36/78/484913678.db2.gz CQTLXWVRAURZFO-CABCVRRESA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030010 484913673 /nfs/dbraw/zinc/91/36/73/484913673.db2.gz CQTLXWVRAURZFO-CABCVRRESA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030011 484913182 /nfs/dbraw/zinc/91/31/82/484913182.db2.gz CQTLXWVRAURZFO-GJZGRUSLSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030011 484913179 /nfs/dbraw/zinc/91/31/79/484913179.db2.gz CQTLXWVRAURZFO-GJZGRUSLSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030012 484912706 /nfs/dbraw/zinc/91/27/06/484912706.db2.gz CQTLXWVRAURZFO-HUUCEWRRSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030012 484912701 /nfs/dbraw/zinc/91/27/01/484912701.db2.gz CQTLXWVRAURZFO-HUUCEWRRSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030013 484912518 /nfs/dbraw/zinc/91/25/18/484912518.db2.gz CQTLXWVRAURZFO-LSDHHAIUSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030013 484912513 /nfs/dbraw/zinc/91/25/13/484912513.db2.gz CQTLXWVRAURZFO-LSDHHAIUSA-N 2 1 367.494 -0.935 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551040662 484912445 /nfs/dbraw/zinc/91/24/45/484912445.db2.gz PSHSFFXRICYHEB-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551040662 484912442 /nfs/dbraw/zinc/91/24/42/484912442.db2.gz PSHSFFXRICYHEB-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551040662 484912439 /nfs/dbraw/zinc/91/24/39/484912439.db2.gz PSHSFFXRICYHEB-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551040663 484913048 /nfs/dbraw/zinc/91/30/48/484913048.db2.gz PSHSFFXRICYHEB-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551040663 484913040 /nfs/dbraw/zinc/91/30/40/484913040.db2.gz PSHSFFXRICYHEB-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551040663 484913035 /nfs/dbraw/zinc/91/30/35/484913035.db2.gz PSHSFFXRICYHEB-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000551043380 484912879 /nfs/dbraw/zinc/91/28/79/484912879.db2.gz WFIUNYDQKDRZNH-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000551043380 484912876 /nfs/dbraw/zinc/91/28/76/484912876.db2.gz WFIUNYDQKDRZNH-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000551043381 484913250 /nfs/dbraw/zinc/91/32/50/484913250.db2.gz WFIUNYDQKDRZNH-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000551043381 484913241 /nfs/dbraw/zinc/91/32/41/484913241.db2.gz WFIUNYDQKDRZNH-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000551043382 484912825 /nfs/dbraw/zinc/91/28/25/484912825.db2.gz WFIUNYDQKDRZNH-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000551043382 484912819 /nfs/dbraw/zinc/91/28/19/484912819.db2.gz WFIUNYDQKDRZNH-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000551043383 484913644 /nfs/dbraw/zinc/91/36/44/484913644.db2.gz WFIUNYDQKDRZNH-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000551043383 484913638 /nfs/dbraw/zinc/91/36/38/484913638.db2.gz WFIUNYDQKDRZNH-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000551049953 484914348 /nfs/dbraw/zinc/91/43/48/484914348.db2.gz YAOOUIZFDVIUPI-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000551049953 484914341 /nfs/dbraw/zinc/91/43/41/484914341.db2.gz YAOOUIZFDVIUPI-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551055484 484915179 /nfs/dbraw/zinc/91/51/79/484915179.db2.gz MXDZFCAWUPZJQW-UHFFFAOYSA-N 2 1 369.510 -0.687 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551063422 484916127 /nfs/dbraw/zinc/91/61/27/484916127.db2.gz YRMMBFJEHWZGTJ-UHFFFAOYSA-N 2 1 355.483 -0.885 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551063422 484916122 /nfs/dbraw/zinc/91/61/22/484916122.db2.gz YRMMBFJEHWZGTJ-UHFFFAOYSA-N 2 1 355.483 -0.885 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100656 484917607 /nfs/dbraw/zinc/91/76/07/484917607.db2.gz POCZJEDHTYSWGM-CYBMUJFWSA-N 2 1 351.455 -0.372 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100657 484918275 /nfs/dbraw/zinc/91/82/75/484918275.db2.gz POCZJEDHTYSWGM-ZDUSSCGKSA-N 2 1 351.455 -0.372 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112559 484918666 /nfs/dbraw/zinc/91/86/66/484918666.db2.gz UZYTXLONGIWJSU-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112560 484918388 /nfs/dbraw/zinc/91/83/88/484918388.db2.gz UZYTXLONGIWJSU-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112561 484918121 /nfs/dbraw/zinc/91/81/21/484918121.db2.gz UZYTXLONGIWJSU-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112562 484918592 /nfs/dbraw/zinc/91/85/92/484918592.db2.gz UZYTXLONGIWJSU-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000551120817 484917714 /nfs/dbraw/zinc/91/77/14/484917714.db2.gz LNHCDTUOCYOTRA-KRWDZBQOSA-N 2 1 367.538 -0.023 20 0 FBADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000551120818 484918254 /nfs/dbraw/zinc/91/82/54/484918254.db2.gz LNHCDTUOCYOTRA-QGZVFWFLSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121651 484918526 /nfs/dbraw/zinc/91/85/26/484918526.db2.gz IWVWNUYVNBVEDG-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121652 484918037 /nfs/dbraw/zinc/91/80/37/484918037.db2.gz IWVWNUYVNBVEDG-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123073 484920391 /nfs/dbraw/zinc/92/03/91/484920391.db2.gz WTYQHRUQJKCSAE-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123074 484919814 /nfs/dbraw/zinc/91/98/14/484919814.db2.gz WTYQHRUQJKCSAE-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123075 484920779 /nfs/dbraw/zinc/92/07/79/484920779.db2.gz WTYQHRUQJKCSAE-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123076 484920544 /nfs/dbraw/zinc/92/05/44/484920544.db2.gz WTYQHRUQJKCSAE-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551136901 484919565 /nfs/dbraw/zinc/91/95/65/484919565.db2.gz RDHQPQAMUJRBHQ-CVEARBPZSA-N 2 1 365.522 -0.271 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551136902 484920511 /nfs/dbraw/zinc/92/05/11/484920511.db2.gz RDHQPQAMUJRBHQ-HOTGVXAUSA-N 2 1 365.522 -0.271 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551136903 484920134 /nfs/dbraw/zinc/92/01/34/484920134.db2.gz RDHQPQAMUJRBHQ-HZPDHXFCSA-N 2 1 365.522 -0.271 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551136904 484919936 /nfs/dbraw/zinc/91/99/36/484919936.db2.gz RDHQPQAMUJRBHQ-JKSUJKDBSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000551138389 484920293 /nfs/dbraw/zinc/92/02/93/484920293.db2.gz TWIKBVWZYWAXFT-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000551138389 484920285 /nfs/dbraw/zinc/92/02/85/484920285.db2.gz TWIKBVWZYWAXFT-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000551138390 484920095 /nfs/dbraw/zinc/92/00/95/484920095.db2.gz TWIKBVWZYWAXFT-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000551138390 484920085 /nfs/dbraw/zinc/92/00/85/484920085.db2.gz TWIKBVWZYWAXFT-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000551138391 484919750 /nfs/dbraw/zinc/91/97/50/484919750.db2.gz TWIKBVWZYWAXFT-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000551138391 484919743 /nfs/dbraw/zinc/91/97/43/484919743.db2.gz TWIKBVWZYWAXFT-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000551138392 484920069 /nfs/dbraw/zinc/92/00/69/484920069.db2.gz TWIKBVWZYWAXFT-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000551138392 484920061 /nfs/dbraw/zinc/92/00/61/484920061.db2.gz TWIKBVWZYWAXFT-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139868 484919644 /nfs/dbraw/zinc/91/96/44/484919644.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139868 484919639 /nfs/dbraw/zinc/91/96/39/484919639.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139868 484919633 /nfs/dbraw/zinc/91/96/33/484919633.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139869 484920730 /nfs/dbraw/zinc/92/07/30/484920730.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139869 484920727 /nfs/dbraw/zinc/92/07/27/484920727.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139869 484920724 /nfs/dbraw/zinc/92/07/24/484920724.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139870 484920190 /nfs/dbraw/zinc/92/01/90/484920190.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139870 484920186 /nfs/dbraw/zinc/92/01/86/484920186.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139870 484920181 /nfs/dbraw/zinc/92/01/81/484920181.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139871 484922513 /nfs/dbraw/zinc/92/25/13/484922513.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139871 484922510 /nfs/dbraw/zinc/92/25/10/484922510.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139871 484922507 /nfs/dbraw/zinc/92/25/07/484922507.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551140036 484921865 /nfs/dbraw/zinc/92/18/65/484921865.db2.gz MBYMHWXFXIKKNY-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551140037 484922349 /nfs/dbraw/zinc/92/23/49/484922349.db2.gz MBYMHWXFXIKKNY-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551140038 484921915 /nfs/dbraw/zinc/92/19/15/484921915.db2.gz MBYMHWXFXIKKNY-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551140039 484921699 /nfs/dbraw/zinc/92/16/99/484921699.db2.gz MBYMHWXFXIKKNY-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151733 484922068 /nfs/dbraw/zinc/92/20/68/484922068.db2.gz MDTZXVYRUHJYQZ-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151733 484922064 /nfs/dbraw/zinc/92/20/64/484922064.db2.gz MDTZXVYRUHJYQZ-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151733 484922060 /nfs/dbraw/zinc/92/20/60/484922060.db2.gz MDTZXVYRUHJYQZ-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151734 484921267 /nfs/dbraw/zinc/92/12/67/484921267.db2.gz MDTZXVYRUHJYQZ-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151734 484921263 /nfs/dbraw/zinc/92/12/63/484921263.db2.gz MDTZXVYRUHJYQZ-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151734 484921256 /nfs/dbraw/zinc/92/12/56/484921256.db2.gz MDTZXVYRUHJYQZ-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151735 484922189 /nfs/dbraw/zinc/92/21/89/484922189.db2.gz MDTZXVYRUHJYQZ-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151735 484922185 /nfs/dbraw/zinc/92/21/85/484922185.db2.gz MDTZXVYRUHJYQZ-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151735 484922179 /nfs/dbraw/zinc/92/21/79/484922179.db2.gz MDTZXVYRUHJYQZ-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151736 484921410 /nfs/dbraw/zinc/92/14/10/484921410.db2.gz MDTZXVYRUHJYQZ-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151736 484921407 /nfs/dbraw/zinc/92/14/07/484921407.db2.gz MDTZXVYRUHJYQZ-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000551151736 484921399 /nfs/dbraw/zinc/92/13/99/484921399.db2.gz MDTZXVYRUHJYQZ-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551162603 484923737 /nfs/dbraw/zinc/92/37/37/484923737.db2.gz HIBSUAPRCIGDEP-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000551162940 484924264 /nfs/dbraw/zinc/92/42/64/484924264.db2.gz ASRCBPRYUOKRDM-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000551162940 484924258 /nfs/dbraw/zinc/92/42/58/484924258.db2.gz ASRCBPRYUOKRDM-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000551162940 484924253 /nfs/dbraw/zinc/92/42/53/484924253.db2.gz ASRCBPRYUOKRDM-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000551162942 484924528 /nfs/dbraw/zinc/92/45/28/484924528.db2.gz ASRCBPRYUOKRDM-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000551162942 484924519 /nfs/dbraw/zinc/92/45/19/484924519.db2.gz ASRCBPRYUOKRDM-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000551162942 484924513 /nfs/dbraw/zinc/92/45/13/484924513.db2.gz ASRCBPRYUOKRDM-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000551162944 484923025 /nfs/dbraw/zinc/92/30/25/484923025.db2.gz ASRCBPRYUOKRDM-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000551162944 484923019 /nfs/dbraw/zinc/92/30/19/484923019.db2.gz ASRCBPRYUOKRDM-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000551162944 484923013 /nfs/dbraw/zinc/92/30/13/484923013.db2.gz ASRCBPRYUOKRDM-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000551162947 484924135 /nfs/dbraw/zinc/92/41/35/484924135.db2.gz ASRCBPRYUOKRDM-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000551162947 484924129 /nfs/dbraw/zinc/92/41/29/484924129.db2.gz ASRCBPRYUOKRDM-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000551162947 484924123 /nfs/dbraw/zinc/92/41/23/484924123.db2.gz ASRCBPRYUOKRDM-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000551163392 484924330 /nfs/dbraw/zinc/92/43/30/484924330.db2.gz FKFYVJZDJZVREU-HNNXBMFYSA-N 2 1 356.467 -0.948 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000551163396 484924196 /nfs/dbraw/zinc/92/41/96/484924196.db2.gz FKFYVJZDJZVREU-OAHLLOKOSA-N 2 1 356.467 -0.948 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551165023 484923369 /nfs/dbraw/zinc/92/33/69/484923369.db2.gz QRVUMSXNROKPGN-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551165024 484924279 /nfs/dbraw/zinc/92/42/79/484924279.db2.gz QRVUMSXNROKPGN-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000551165196 484923830 /nfs/dbraw/zinc/92/38/30/484923830.db2.gz RVZOSCPOZJETDU-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166161 484923138 /nfs/dbraw/zinc/92/31/38/484923138.db2.gz KCJIIUWOXUYFLD-DOTOQJQBSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166161 484923133 /nfs/dbraw/zinc/92/31/33/484923133.db2.gz KCJIIUWOXUYFLD-DOTOQJQBSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166161 484923127 /nfs/dbraw/zinc/92/31/27/484923127.db2.gz KCJIIUWOXUYFLD-DOTOQJQBSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166162 484923811 /nfs/dbraw/zinc/92/38/11/484923811.db2.gz KCJIIUWOXUYFLD-NVXWUHKLSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166162 484923807 /nfs/dbraw/zinc/92/38/07/484923807.db2.gz KCJIIUWOXUYFLD-NVXWUHKLSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166162 484923798 /nfs/dbraw/zinc/92/37/98/484923798.db2.gz KCJIIUWOXUYFLD-NVXWUHKLSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166163 484923997 /nfs/dbraw/zinc/92/39/97/484923997.db2.gz KCJIIUWOXUYFLD-RDJZCZTQSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166163 484923991 /nfs/dbraw/zinc/92/39/91/484923991.db2.gz KCJIIUWOXUYFLD-RDJZCZTQSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166163 484923984 /nfs/dbraw/zinc/92/39/84/484923984.db2.gz KCJIIUWOXUYFLD-RDJZCZTQSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166164 484923671 /nfs/dbraw/zinc/92/36/71/484923671.db2.gz KCJIIUWOXUYFLD-WBVHZDCISA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551166164 484923665 /nfs/dbraw/zinc/92/36/65/484923665.db2.gz KCJIIUWOXUYFLD-WBVHZDCISA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166164 484923655 /nfs/dbraw/zinc/92/36/55/484923655.db2.gz KCJIIUWOXUYFLD-WBVHZDCISA-N 2 1 365.522 -0.271 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000551187740 484925615 /nfs/dbraw/zinc/92/56/15/484925615.db2.gz RULCZXBZAQRQJB-AWEZNQCLSA-N 2 1 367.494 -0.696 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000551187745 484926162 /nfs/dbraw/zinc/92/61/62/484926162.db2.gz RULCZXBZAQRQJB-CQSZACIVSA-N 2 1 367.494 -0.696 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000551189152 484925474 /nfs/dbraw/zinc/92/54/74/484925474.db2.gz OOLMADXUUKIZKI-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000551189152 484925470 /nfs/dbraw/zinc/92/54/70/484925470.db2.gz OOLMADXUUKIZKI-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000551191478 484927338 /nfs/dbraw/zinc/92/73/38/484927338.db2.gz APWJDOIAYAHTTQ-UHFFFAOYSA-N 2 1 355.483 -0.888 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551210375 484926656 /nfs/dbraw/zinc/92/66/56/484926656.db2.gz YKNOOIWSQXHWGY-PBHICJAKSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551210376 484927822 /nfs/dbraw/zinc/92/78/22/484927822.db2.gz YKNOOIWSQXHWGY-RHSMWYFYSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551210377 484927634 /nfs/dbraw/zinc/92/76/34/484927634.db2.gz YKNOOIWSQXHWGY-WMLDXEAASA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551210378 484926830 /nfs/dbraw/zinc/92/68/30/484926830.db2.gz YKNOOIWSQXHWGY-YOEHRIQHSA-N 2 1 372.535 -0.233 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCOCC1 ZINC000551217147 484927034 /nfs/dbraw/zinc/92/70/34/484927034.db2.gz IUASZMBBOBSIPJ-PBHICJAKSA-N 2 1 372.535 -0.376 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCOCC1 ZINC000551217148 484927527 /nfs/dbraw/zinc/92/75/27/484927527.db2.gz IUASZMBBOBSIPJ-RHSMWYFYSA-N 2 1 372.535 -0.376 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCOCC1 ZINC000551217149 484927540 /nfs/dbraw/zinc/92/75/40/484927540.db2.gz IUASZMBBOBSIPJ-WMLDXEAASA-N 2 1 372.535 -0.376 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCOCC1 ZINC000551217150 484927365 /nfs/dbraw/zinc/92/73/65/484927365.db2.gz IUASZMBBOBSIPJ-YOEHRIQHSA-N 2 1 372.535 -0.376 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCSC1 ZINC000551219573 484929196 /nfs/dbraw/zinc/92/91/96/484929196.db2.gz YMUOBYPGAWQUOC-HNNXBMFYSA-N 2 1 360.549 -0.295 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCSC1 ZINC000551219574 484928254 /nfs/dbraw/zinc/92/82/54/484928254.db2.gz YMUOBYPGAWQUOC-OAHLLOKOSA-N 2 1 360.549 -0.295 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCSC1 ZINC000551222492 484928493 /nfs/dbraw/zinc/92/84/93/484928493.db2.gz PYZWOVLVQHBDPZ-INIZCTEOSA-N 2 1 358.508 -0.622 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCSC1 ZINC000551222493 484928370 /nfs/dbraw/zinc/92/83/70/484928370.db2.gz PYZWOVLVQHBDPZ-MRXNPFEDSA-N 2 1 358.508 -0.622 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551281467 484929950 /nfs/dbraw/zinc/92/99/50/484929950.db2.gz WVOWFHQLEABXIM-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551281467 484929944 /nfs/dbraw/zinc/92/99/44/484929944.db2.gz WVOWFHQLEABXIM-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551281467 484929939 /nfs/dbraw/zinc/92/99/39/484929939.db2.gz WVOWFHQLEABXIM-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551281467 484929934 /nfs/dbraw/zinc/92/99/34/484929934.db2.gz WVOWFHQLEABXIM-CABCVRRESA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551281469 484931131 /nfs/dbraw/zinc/93/11/31/484931131.db2.gz WVOWFHQLEABXIM-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551281469 484931124 /nfs/dbraw/zinc/93/11/24/484931124.db2.gz WVOWFHQLEABXIM-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551281469 484931118 /nfs/dbraw/zinc/93/11/18/484931118.db2.gz WVOWFHQLEABXIM-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551281469 484931110 /nfs/dbraw/zinc/93/11/10/484931110.db2.gz WVOWFHQLEABXIM-GJZGRUSLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551281470 484932181 /nfs/dbraw/zinc/93/21/81/484932181.db2.gz WVOWFHQLEABXIM-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551281470 484932172 /nfs/dbraw/zinc/93/21/72/484932172.db2.gz WVOWFHQLEABXIM-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551281470 484932163 /nfs/dbraw/zinc/93/21/63/484932163.db2.gz WVOWFHQLEABXIM-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551281470 484932154 /nfs/dbraw/zinc/93/21/54/484932154.db2.gz WVOWFHQLEABXIM-HUUCEWRRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551281471 484932943 /nfs/dbraw/zinc/93/29/43/484932943.db2.gz WVOWFHQLEABXIM-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551281471 484932938 /nfs/dbraw/zinc/93/29/38/484932938.db2.gz WVOWFHQLEABXIM-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551281471 484932934 /nfs/dbraw/zinc/93/29/34/484932934.db2.gz WVOWFHQLEABXIM-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551281471 484932931 /nfs/dbraw/zinc/93/29/31/484932931.db2.gz WVOWFHQLEABXIM-LSDHHAIUSA-N 2 1 366.506 -0.110 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000551283910 484932803 /nfs/dbraw/zinc/93/28/03/484932803.db2.gz BMJVSGRBYWASMB-UHFFFAOYSA-N 2 1 366.506 -0.108 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000551284640 484932091 /nfs/dbraw/zinc/93/20/91/484932091.db2.gz SFHFQVGCNGPJHP-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000551284643 484932781 /nfs/dbraw/zinc/93/27/81/484932781.db2.gz SFHFQVGCNGPJHP-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284697 484932565 /nfs/dbraw/zinc/93/25/65/484932565.db2.gz UMUPMGVFSFTYCP-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284699 484932246 /nfs/dbraw/zinc/93/22/46/484932246.db2.gz UMUPMGVFSFTYCP-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000551329083 484933741 /nfs/dbraw/zinc/93/37/41/484933741.db2.gz KQEBUGDTEXEXRL-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000551329083 484933735 /nfs/dbraw/zinc/93/37/35/484933735.db2.gz KQEBUGDTEXEXRL-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000551331787 484934563 /nfs/dbraw/zinc/93/45/63/484934563.db2.gz AXLJZMWMDAKGRN-INIZCTEOSA-N 2 1 370.494 -0.748 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000551331787 484934557 /nfs/dbraw/zinc/93/45/57/484934557.db2.gz AXLJZMWMDAKGRN-INIZCTEOSA-N 2 1 370.494 -0.748 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000551331788 484933933 /nfs/dbraw/zinc/93/39/33/484933933.db2.gz AXLJZMWMDAKGRN-MRXNPFEDSA-N 2 1 370.494 -0.748 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000551331788 484933930 /nfs/dbraw/zinc/93/39/30/484933930.db2.gz AXLJZMWMDAKGRN-MRXNPFEDSA-N 2 1 370.494 -0.748 20 0 FBADMP COCCN1CC[C@H](NC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000551346981 484934747 /nfs/dbraw/zinc/93/47/47/484934747.db2.gz NHRARCRKLMVEIL-HNNXBMFYSA-N 2 1 363.462 -0.285 20 0 FBADMP COCCN1CC[C@@H](NC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000551346982 484934445 /nfs/dbraw/zinc/93/44/45/484934445.db2.gz NHRARCRKLMVEIL-OAHLLOKOSA-N 2 1 363.462 -0.285 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000551470108 484938895 /nfs/dbraw/zinc/93/88/95/484938895.db2.gz JMJAQCVLUVBNLG-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000551470111 484939466 /nfs/dbraw/zinc/93/94/66/484939466.db2.gz JMJAQCVLUVBNLG-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000551472599 484938718 /nfs/dbraw/zinc/93/87/18/484938718.db2.gz WCBZPBSWSGYUMI-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000551472599 484938711 /nfs/dbraw/zinc/93/87/11/484938711.db2.gz WCBZPBSWSGYUMI-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000551472599 484938707 /nfs/dbraw/zinc/93/87/07/484938707.db2.gz WCBZPBSWSGYUMI-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000551472600 484939149 /nfs/dbraw/zinc/93/91/49/484939149.db2.gz WCBZPBSWSGYUMI-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000551472600 484939143 /nfs/dbraw/zinc/93/91/43/484939143.db2.gz WCBZPBSWSGYUMI-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000551472600 484939137 /nfs/dbraw/zinc/93/91/37/484939137.db2.gz WCBZPBSWSGYUMI-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000551472601 484939675 /nfs/dbraw/zinc/93/96/75/484939675.db2.gz WCBZPBSWSGYUMI-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000551472601 484939668 /nfs/dbraw/zinc/93/96/68/484939668.db2.gz WCBZPBSWSGYUMI-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000551472601 484939661 /nfs/dbraw/zinc/93/96/61/484939661.db2.gz WCBZPBSWSGYUMI-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000551472602 484938524 /nfs/dbraw/zinc/93/85/24/484938524.db2.gz WCBZPBSWSGYUMI-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000551472602 484938514 /nfs/dbraw/zinc/93/85/14/484938514.db2.gz WCBZPBSWSGYUMI-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000551472602 484938506 /nfs/dbraw/zinc/93/85/06/484938506.db2.gz WCBZPBSWSGYUMI-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479856 484938758 /nfs/dbraw/zinc/93/87/58/484938758.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479856 484938753 /nfs/dbraw/zinc/93/87/53/484938753.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479856 484938748 /nfs/dbraw/zinc/93/87/48/484938748.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479857 484939412 /nfs/dbraw/zinc/93/94/12/484939412.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479857 484939404 /nfs/dbraw/zinc/93/94/04/484939404.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479857 484939400 /nfs/dbraw/zinc/93/94/00/484939400.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479858 484939581 /nfs/dbraw/zinc/93/95/81/484939581.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479858 484939574 /nfs/dbraw/zinc/93/95/74/484939574.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479858 484939569 /nfs/dbraw/zinc/93/95/69/484939569.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479859 484938449 /nfs/dbraw/zinc/93/84/49/484938449.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000551479859 484938441 /nfs/dbraw/zinc/93/84/41/484938441.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 2 1 367.538 -0.166 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479859 484938436 /nfs/dbraw/zinc/93/84/36/484938436.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 2 1 367.538 -0.166 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479937 484939079 /nfs/dbraw/zinc/93/90/79/484939079.db2.gz FYGQVBVKOFGAOI-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479940 484939260 /nfs/dbraw/zinc/93/92/60/484939260.db2.gz FYGQVBVKOFGAOI-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479941 484939808 /nfs/dbraw/zinc/93/98/08/484939808.db2.gz FZNFHCQMNFCZHO-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479943 484939612 /nfs/dbraw/zinc/93/96/12/484939612.db2.gz FZNFHCQMNFCZHO-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479944 484938973 /nfs/dbraw/zinc/93/89/73/484938973.db2.gz FZNFHCQMNFCZHO-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479945 484938601 /nfs/dbraw/zinc/93/86/01/484938601.db2.gz FZNFHCQMNFCZHO-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000551482800 484940372 /nfs/dbraw/zinc/94/03/72/484940372.db2.gz QFPKEGSTOPLXNB-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000551482800 484940366 /nfs/dbraw/zinc/94/03/66/484940366.db2.gz QFPKEGSTOPLXNB-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000551482800 484940361 /nfs/dbraw/zinc/94/03/61/484940361.db2.gz QFPKEGSTOPLXNB-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000551482801 484940454 /nfs/dbraw/zinc/94/04/54/484940454.db2.gz QFPKEGSTOPLXNB-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000551482801 484940450 /nfs/dbraw/zinc/94/04/50/484940450.db2.gz QFPKEGSTOPLXNB-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000551482801 484940449 /nfs/dbraw/zinc/94/04/49/484940449.db2.gz QFPKEGSTOPLXNB-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000551485143 484940626 /nfs/dbraw/zinc/94/06/26/484940626.db2.gz NLHSZKIYXIYYQJ-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000551485143 484940620 /nfs/dbraw/zinc/94/06/20/484940620.db2.gz NLHSZKIYXIYYQJ-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000551485143 484940614 /nfs/dbraw/zinc/94/06/14/484940614.db2.gz NLHSZKIYXIYYQJ-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000551485144 484940912 /nfs/dbraw/zinc/94/09/12/484940912.db2.gz NLHSZKIYXIYYQJ-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000551485144 484940908 /nfs/dbraw/zinc/94/09/08/484940908.db2.gz NLHSZKIYXIYYQJ-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000551485144 484940903 /nfs/dbraw/zinc/94/09/03/484940903.db2.gz NLHSZKIYXIYYQJ-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551495919 484941562 /nfs/dbraw/zinc/94/15/62/484941562.db2.gz FCLZHNRDDFQYAU-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551495919 484941557 /nfs/dbraw/zinc/94/15/57/484941557.db2.gz FCLZHNRDDFQYAU-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551495926 484940838 /nfs/dbraw/zinc/94/08/38/484940838.db2.gz FCLZHNRDDFQYAU-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551495926 484940833 /nfs/dbraw/zinc/94/08/33/484940833.db2.gz FCLZHNRDDFQYAU-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551495928 484940946 /nfs/dbraw/zinc/94/09/46/484940946.db2.gz FCLZHNRDDFQYAU-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551495928 484940941 /nfs/dbraw/zinc/94/09/41/484940941.db2.gz FCLZHNRDDFQYAU-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551495930 484941377 /nfs/dbraw/zinc/94/13/77/484941377.db2.gz FCLZHNRDDFQYAU-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551495930 484941369 /nfs/dbraw/zinc/94/13/69/484941369.db2.gz FCLZHNRDDFQYAU-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942404 /nfs/dbraw/zinc/94/24/04/484942404.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942399 /nfs/dbraw/zinc/94/23/99/484942399.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942392 /nfs/dbraw/zinc/94/23/92/484942392.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943341 /nfs/dbraw/zinc/94/33/41/484943341.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943332 /nfs/dbraw/zinc/94/33/32/484943332.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943329 /nfs/dbraw/zinc/94/33/29/484943329.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943201 /nfs/dbraw/zinc/94/32/01/484943201.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943198 /nfs/dbraw/zinc/94/31/98/484943198.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943191 /nfs/dbraw/zinc/94/31/91/484943191.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942706 /nfs/dbraw/zinc/94/27/06/484942706.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942702 /nfs/dbraw/zinc/94/27/02/484942702.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942700 /nfs/dbraw/zinc/94/27/00/484942700.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000551705817 484952063 /nfs/dbraw/zinc/95/20/63/484952063.db2.gz KZQPJNYWOVCURG-AWEZNQCLSA-N 2 1 355.483 -0.854 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000551705818 484952423 /nfs/dbraw/zinc/95/24/23/484952423.db2.gz KZQPJNYWOVCURG-CQSZACIVSA-N 2 1 355.483 -0.854 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551848973 484959125 /nfs/dbraw/zinc/95/91/25/484959125.db2.gz NTNPQUVMVZEIHA-HNNXBMFYSA-N 2 1 353.511 -0.273 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551848974 484958970 /nfs/dbraw/zinc/95/89/70/484958970.db2.gz NTNPQUVMVZEIHA-OAHLLOKOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000551907958 484962728 /nfs/dbraw/zinc/96/27/28/484962728.db2.gz OSOPSWOEKHTYKI-AWEZNQCLSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000551907963 484962333 /nfs/dbraw/zinc/96/23/33/484962333.db2.gz OSOPSWOEKHTYKI-CQSZACIVSA-N 2 1 374.507 -0.673 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552175833 484974802 /nfs/dbraw/zinc/97/48/02/484974802.db2.gz NIWUAKXXCJGALM-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552175834 484975614 /nfs/dbraw/zinc/97/56/14/484975614.db2.gz NIWUAKXXCJGALM-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000552176290 484976167 /nfs/dbraw/zinc/97/61/67/484976167.db2.gz BRCIVKHMDBBBNY-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000552176290 484976161 /nfs/dbraw/zinc/97/61/61/484976161.db2.gz BRCIVKHMDBBBNY-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000552176290 484976152 /nfs/dbraw/zinc/97/61/52/484976152.db2.gz BRCIVKHMDBBBNY-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000552176294 484975489 /nfs/dbraw/zinc/97/54/89/484975489.db2.gz BRCIVKHMDBBBNY-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000552176294 484975486 /nfs/dbraw/zinc/97/54/86/484975486.db2.gz BRCIVKHMDBBBNY-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000552176294 484975483 /nfs/dbraw/zinc/97/54/83/484975483.db2.gz BRCIVKHMDBBBNY-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552176607 484974873 /nfs/dbraw/zinc/97/48/73/484974873.db2.gz LIJQJXLAFQKOHR-HOTGVXAUSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552176608 484975078 /nfs/dbraw/zinc/97/50/78/484975078.db2.gz LIJQJXLAFQKOHR-JKSUJKDBSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552177378 484975906 /nfs/dbraw/zinc/97/59/06/484975906.db2.gz LIJQJXLAFQKOHR-CVEARBPZSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552177379 484976226 /nfs/dbraw/zinc/97/62/26/484976226.db2.gz LIJQJXLAFQKOHR-HZPDHXFCSA-N 2 1 364.490 -0.090 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552185480 484977062 /nfs/dbraw/zinc/97/70/62/484977062.db2.gz UEQOOTGIQIFVRD-AWEZNQCLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552185480 484977056 /nfs/dbraw/zinc/97/70/56/484977056.db2.gz UEQOOTGIQIFVRD-AWEZNQCLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000552185480 484977052 /nfs/dbraw/zinc/97/70/52/484977052.db2.gz UEQOOTGIQIFVRD-AWEZNQCLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552185481 484977096 /nfs/dbraw/zinc/97/70/96/484977096.db2.gz UEQOOTGIQIFVRD-CQSZACIVSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552185481 484977089 /nfs/dbraw/zinc/97/70/89/484977089.db2.gz UEQOOTGIQIFVRD-CQSZACIVSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000552185481 484977082 /nfs/dbraw/zinc/97/70/82/484977082.db2.gz UEQOOTGIQIFVRD-CQSZACIVSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(=O)NCC[NH+](C)C ZINC000552303054 484980481 /nfs/dbraw/zinc/98/04/81/484980481.db2.gz KAKIERSCJSPSSM-AWEZNQCLSA-N 2 1 364.494 -0.185 20 0 FBADMP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(=O)NCC[NH+](C)C ZINC000552303055 484980640 /nfs/dbraw/zinc/98/06/40/484980640.db2.gz KAKIERSCJSPSSM-CQSZACIVSA-N 2 1 364.494 -0.185 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000552360962 484983872 /nfs/dbraw/zinc/98/38/72/484983872.db2.gz ALHFZRNGRRPVHH-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000552360962 484983869 /nfs/dbraw/zinc/98/38/69/484983869.db2.gz ALHFZRNGRRPVHH-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000552360963 484983154 /nfs/dbraw/zinc/98/31/54/484983154.db2.gz ALHFZRNGRRPVHH-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000552360963 484983147 /nfs/dbraw/zinc/98/31/47/484983147.db2.gz ALHFZRNGRRPVHH-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000552360964 484983750 /nfs/dbraw/zinc/98/37/50/484983750.db2.gz ALHFZRNGRRPVHH-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000552360964 484983747 /nfs/dbraw/zinc/98/37/47/484983747.db2.gz ALHFZRNGRRPVHH-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000552360965 484983314 /nfs/dbraw/zinc/98/33/14/484983314.db2.gz ALHFZRNGRRPVHH-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000552360965 484983305 /nfs/dbraw/zinc/98/33/05/484983305.db2.gz ALHFZRNGRRPVHH-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552470633 484988072 /nfs/dbraw/zinc/98/80/72/484988072.db2.gz BBMBPJQFSGWWJR-AWEZNQCLSA-N 2 1 365.478 -0.992 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552470633 484988065 /nfs/dbraw/zinc/98/80/65/484988065.db2.gz BBMBPJQFSGWWJR-AWEZNQCLSA-N 2 1 365.478 -0.992 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552470637 484988462 /nfs/dbraw/zinc/98/84/62/484988462.db2.gz BBMBPJQFSGWWJR-CQSZACIVSA-N 2 1 365.478 -0.992 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552470637 484988458 /nfs/dbraw/zinc/98/84/58/484988458.db2.gz BBMBPJQFSGWWJR-CQSZACIVSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552470647 484988384 /nfs/dbraw/zinc/98/83/84/484988384.db2.gz BIDUUBOROTZSPI-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552470647 484988381 /nfs/dbraw/zinc/98/83/81/484988381.db2.gz BIDUUBOROTZSPI-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552470647 484988379 /nfs/dbraw/zinc/98/83/79/484988379.db2.gz BIDUUBOROTZSPI-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552470647 484988375 /nfs/dbraw/zinc/98/83/75/484988375.db2.gz BIDUUBOROTZSPI-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552470654 484988278 /nfs/dbraw/zinc/98/82/78/484988278.db2.gz BIDUUBOROTZSPI-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552470654 484988275 /nfs/dbraw/zinc/98/82/75/484988275.db2.gz BIDUUBOROTZSPI-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552470654 484988272 /nfs/dbraw/zinc/98/82/72/484988272.db2.gz BIDUUBOROTZSPI-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552470654 484988269 /nfs/dbraw/zinc/98/82/69/484988269.db2.gz BIDUUBOROTZSPI-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552470655 484988197 /nfs/dbraw/zinc/98/81/97/484988197.db2.gz BIDUUBOROTZSPI-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552470655 484988195 /nfs/dbraw/zinc/98/81/95/484988195.db2.gz BIDUUBOROTZSPI-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552470655 484988193 /nfs/dbraw/zinc/98/81/93/484988193.db2.gz BIDUUBOROTZSPI-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552470655 484988190 /nfs/dbraw/zinc/98/81/90/484988190.db2.gz BIDUUBOROTZSPI-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552470656 484988355 /nfs/dbraw/zinc/98/83/55/484988355.db2.gz BIDUUBOROTZSPI-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552470656 484988351 /nfs/dbraw/zinc/98/83/51/484988351.db2.gz BIDUUBOROTZSPI-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552470656 484988348 /nfs/dbraw/zinc/98/83/48/484988348.db2.gz BIDUUBOROTZSPI-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552470656 484988347 /nfs/dbraw/zinc/98/83/47/484988347.db2.gz BIDUUBOROTZSPI-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552470802 484988331 /nfs/dbraw/zinc/98/83/31/484988331.db2.gz DIDQPCHGOJNEGW-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552470802 484988328 /nfs/dbraw/zinc/98/83/28/484988328.db2.gz DIDQPCHGOJNEGW-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552470803 484987801 /nfs/dbraw/zinc/98/78/01/484987801.db2.gz DIDQPCHGOJNEGW-GJZGRUSLSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552470803 484987795 /nfs/dbraw/zinc/98/77/95/484987795.db2.gz DIDQPCHGOJNEGW-GJZGRUSLSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552470804 484987951 /nfs/dbraw/zinc/98/79/51/484987951.db2.gz DIDQPCHGOJNEGW-HUUCEWRRSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552470804 484987945 /nfs/dbraw/zinc/98/79/45/484987945.db2.gz DIDQPCHGOJNEGW-HUUCEWRRSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552470805 484987612 /nfs/dbraw/zinc/98/76/12/484987612.db2.gz DIDQPCHGOJNEGW-LSDHHAIUSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552470805 484987605 /nfs/dbraw/zinc/98/76/05/484987605.db2.gz DIDQPCHGOJNEGW-LSDHHAIUSA-N 2 1 350.463 -0.480 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473295 484989714 /nfs/dbraw/zinc/98/97/14/484989714.db2.gz WKQLHDUNEVXSLF-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473295 484989712 /nfs/dbraw/zinc/98/97/12/484989712.db2.gz WKQLHDUNEVXSLF-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000552473295 484989708 /nfs/dbraw/zinc/98/97/08/484989708.db2.gz WKQLHDUNEVXSLF-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000552473295 484989705 /nfs/dbraw/zinc/98/97/05/484989705.db2.gz WKQLHDUNEVXSLF-KBPBESRZSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473296 484989389 /nfs/dbraw/zinc/98/93/89/484989389.db2.gz WKQLHDUNEVXSLF-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473296 484989383 /nfs/dbraw/zinc/98/93/83/484989383.db2.gz WKQLHDUNEVXSLF-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000552473296 484989378 /nfs/dbraw/zinc/98/93/78/484989378.db2.gz WKQLHDUNEVXSLF-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000552473296 484989370 /nfs/dbraw/zinc/98/93/70/484989370.db2.gz WKQLHDUNEVXSLF-KGLIPLIRSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473297 484990097 /nfs/dbraw/zinc/99/00/97/484990097.db2.gz WKQLHDUNEVXSLF-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473297 484990093 /nfs/dbraw/zinc/99/00/93/484990093.db2.gz WKQLHDUNEVXSLF-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000552473297 484990085 /nfs/dbraw/zinc/99/00/85/484990085.db2.gz WKQLHDUNEVXSLF-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000552473297 484990078 /nfs/dbraw/zinc/99/00/78/484990078.db2.gz WKQLHDUNEVXSLF-UONOGXRCSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473298 484989488 /nfs/dbraw/zinc/98/94/88/484989488.db2.gz WKQLHDUNEVXSLF-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000552473298 484989483 /nfs/dbraw/zinc/98/94/83/484989483.db2.gz WKQLHDUNEVXSLF-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000552473298 484989478 /nfs/dbraw/zinc/98/94/78/484989478.db2.gz WKQLHDUNEVXSLF-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000552473298 484989470 /nfs/dbraw/zinc/98/94/70/484989470.db2.gz WKQLHDUNEVXSLF-ZIAGYGMSSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552496213 484991313 /nfs/dbraw/zinc/99/13/13/484991313.db2.gz FWCVQGIFBRSKKY-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552496214 484990886 /nfs/dbraw/zinc/99/08/86/484990886.db2.gz FWCVQGIFBRSKKY-GOEBONIOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552496215 484991843 /nfs/dbraw/zinc/99/18/43/484991843.db2.gz FWCVQGIFBRSKKY-HOCLYGCPSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552496216 484990963 /nfs/dbraw/zinc/99/09/63/484990963.db2.gz FWCVQGIFBRSKKY-ZBFHGGJFSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552537565 484993291 /nfs/dbraw/zinc/99/32/91/484993291.db2.gz HZWZIEOYSXTQGJ-HNNXBMFYSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552537566 484993071 /nfs/dbraw/zinc/99/30/71/484993071.db2.gz HZWZIEOYSXTQGJ-OAHLLOKOSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538639 484993376 /nfs/dbraw/zinc/99/33/76/484993376.db2.gz ITKKDKWXRLDOAJ-ILXRZTDVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538639 484993372 /nfs/dbraw/zinc/99/33/72/484993372.db2.gz ITKKDKWXRLDOAJ-ILXRZTDVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538640 484993110 /nfs/dbraw/zinc/99/31/10/484993110.db2.gz ITKKDKWXRLDOAJ-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538640 484993104 /nfs/dbraw/zinc/99/31/04/484993104.db2.gz ITKKDKWXRLDOAJ-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538641 484992626 /nfs/dbraw/zinc/99/26/26/484992626.db2.gz ITKKDKWXRLDOAJ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538641 484992618 /nfs/dbraw/zinc/99/26/18/484992618.db2.gz ITKKDKWXRLDOAJ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538642 484993351 /nfs/dbraw/zinc/99/33/51/484993351.db2.gz ITKKDKWXRLDOAJ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552538642 484993346 /nfs/dbraw/zinc/99/33/46/484993346.db2.gz ITKKDKWXRLDOAJ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552548842 484992752 /nfs/dbraw/zinc/99/27/52/484992752.db2.gz KJTUVYFXWSQANL-AWEZNQCLSA-N 2 1 364.450 -0.989 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552548842 484992746 /nfs/dbraw/zinc/99/27/46/484992746.db2.gz KJTUVYFXWSQANL-AWEZNQCLSA-N 2 1 364.450 -0.989 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552548843 484993218 /nfs/dbraw/zinc/99/32/18/484993218.db2.gz KJTUVYFXWSQANL-CQSZACIVSA-N 2 1 364.450 -0.989 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552548843 484993214 /nfs/dbraw/zinc/99/32/14/484993214.db2.gz KJTUVYFXWSQANL-CQSZACIVSA-N 2 1 364.450 -0.989 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000552550480 484994657 /nfs/dbraw/zinc/99/46/57/484994657.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000552550480 484994655 /nfs/dbraw/zinc/99/46/55/484994655.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000552550480 484994650 /nfs/dbraw/zinc/99/46/50/484994650.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000552550481 484994190 /nfs/dbraw/zinc/99/41/90/484994190.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000552550481 484994182 /nfs/dbraw/zinc/99/41/82/484994182.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000552550481 484994177 /nfs/dbraw/zinc/99/41/77/484994177.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000552550482 484994556 /nfs/dbraw/zinc/99/45/56/484994556.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000552550482 484994555 /nfs/dbraw/zinc/99/45/55/484994555.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000552550482 484994549 /nfs/dbraw/zinc/99/45/49/484994549.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000552550483 484994766 /nfs/dbraw/zinc/99/47/66/484994766.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000552550483 484994763 /nfs/dbraw/zinc/99/47/63/484994763.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000552550483 484994759 /nfs/dbraw/zinc/99/47/59/484994759.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 2 1 367.494 -0.711 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557151 484995486 /nfs/dbraw/zinc/99/54/86/484995486.db2.gz POWKUKULSPIJPF-HNNXBMFYSA-N 2 1 367.494 -0.756 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557151 484995478 /nfs/dbraw/zinc/99/54/78/484995478.db2.gz POWKUKULSPIJPF-HNNXBMFYSA-N 2 1 367.494 -0.756 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557151 484995471 /nfs/dbraw/zinc/99/54/71/484995471.db2.gz POWKUKULSPIJPF-HNNXBMFYSA-N 2 1 367.494 -0.756 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557152 484994727 /nfs/dbraw/zinc/99/47/27/484994727.db2.gz POWKUKULSPIJPF-OAHLLOKOSA-N 2 1 367.494 -0.756 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557152 484994723 /nfs/dbraw/zinc/99/47/23/484994723.db2.gz POWKUKULSPIJPF-OAHLLOKOSA-N 2 1 367.494 -0.756 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557152 484994719 /nfs/dbraw/zinc/99/47/19/484994719.db2.gz POWKUKULSPIJPF-OAHLLOKOSA-N 2 1 367.494 -0.756 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552621794 484999864 /nfs/dbraw/zinc/99/98/64/484999864.db2.gz RWKFQIWLQSLAKT-INIZCTEOSA-N 2 1 370.494 -0.748 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000552622191 484999887 /nfs/dbraw/zinc/99/98/87/484999887.db2.gz IZKAXEDAJRUDLT-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552622240 485000164 /nfs/dbraw/zinc/00/01/64/485000164.db2.gz KVVCIVMKXBCFEO-HNNXBMFYSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552622241 485000293 /nfs/dbraw/zinc/00/02/93/485000293.db2.gz KVVCIVMKXBCFEO-OAHLLOKOSA-N 2 1 354.495 -0.081 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000552622982 484999653 /nfs/dbraw/zinc/99/96/53/484999653.db2.gz VOEVBRFFAYRLNC-UHFFFAOYSA-N 2 1 370.494 -0.558 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552630866 484999940 /nfs/dbraw/zinc/99/99/40/484999940.db2.gz KAFPZAQKJYCCSS-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689255 485002198 /nfs/dbraw/zinc/00/21/98/485002198.db2.gz ULBSOKYQYNYKSV-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689256 485002819 /nfs/dbraw/zinc/00/28/19/485002819.db2.gz ULBSOKYQYNYKSV-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689257 485002857 /nfs/dbraw/zinc/00/28/57/485002857.db2.gz ULBSOKYQYNYKSV-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689258 485002504 /nfs/dbraw/zinc/00/25/04/485002504.db2.gz ULBSOKYQYNYKSV-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003466 /nfs/dbraw/zinc/00/34/66/485003466.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003459 /nfs/dbraw/zinc/00/34/59/485003459.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003453 /nfs/dbraw/zinc/00/34/53/485003453.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000552748995 485005504 /nfs/dbraw/zinc/00/55/04/485005504.db2.gz PDJAMUYGRILGBW-HNNXBMFYSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000552748995 485005498 /nfs/dbraw/zinc/00/54/98/485005498.db2.gz PDJAMUYGRILGBW-HNNXBMFYSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000552748996 485005622 /nfs/dbraw/zinc/00/56/22/485005622.db2.gz PDJAMUYGRILGBW-OAHLLOKOSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000552748996 485005616 /nfs/dbraw/zinc/00/56/16/485005616.db2.gz PDJAMUYGRILGBW-OAHLLOKOSA-N 2 1 369.510 -0.545 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000552803454 485007055 /nfs/dbraw/zinc/00/70/55/485007055.db2.gz RYCDADVPKJFGDA-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000552803455 485006713 /nfs/dbraw/zinc/00/67/13/485006713.db2.gz RYCDADVPKJFGDA-CQSZACIVSA-N 2 1 355.483 -0.935 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000552880932 485009845 /nfs/dbraw/zinc/00/98/45/485009845.db2.gz BGOXYOJQDMURJW-CVEARBPZSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000552880932 485009837 /nfs/dbraw/zinc/00/98/37/485009837.db2.gz BGOXYOJQDMURJW-CVEARBPZSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000552880933 485010009 /nfs/dbraw/zinc/01/00/09/485010009.db2.gz BGOXYOJQDMURJW-HOTGVXAUSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000552880933 485010003 /nfs/dbraw/zinc/01/00/03/485010003.db2.gz BGOXYOJQDMURJW-HOTGVXAUSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000552880934 485009373 /nfs/dbraw/zinc/00/93/73/485009373.db2.gz BGOXYOJQDMURJW-HZPDHXFCSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000552880934 485009368 /nfs/dbraw/zinc/00/93/68/485009368.db2.gz BGOXYOJQDMURJW-HZPDHXFCSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000552880935 485009717 /nfs/dbraw/zinc/00/97/17/485009717.db2.gz BGOXYOJQDMURJW-JKSUJKDBSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000552880935 485009712 /nfs/dbraw/zinc/00/97/12/485009712.db2.gz BGOXYOJQDMURJW-JKSUJKDBSA-N 2 1 370.494 -0.702 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552882306 485010121 /nfs/dbraw/zinc/01/01/21/485010121.db2.gz KEHYMDVQPSLFDW-CVEARBPZSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552882306 485010115 /nfs/dbraw/zinc/01/01/15/485010115.db2.gz KEHYMDVQPSLFDW-CVEARBPZSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552882307 485009330 /nfs/dbraw/zinc/00/93/30/485009330.db2.gz KEHYMDVQPSLFDW-HOTGVXAUSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552882307 485009327 /nfs/dbraw/zinc/00/93/27/485009327.db2.gz KEHYMDVQPSLFDW-HOTGVXAUSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552882308 485010285 /nfs/dbraw/zinc/01/02/85/485010285.db2.gz KEHYMDVQPSLFDW-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552882308 485010281 /nfs/dbraw/zinc/01/02/81/485010281.db2.gz KEHYMDVQPSLFDW-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552882309 485010535 /nfs/dbraw/zinc/01/05/35/485010535.db2.gz KEHYMDVQPSLFDW-JKSUJKDBSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552882309 485010528 /nfs/dbraw/zinc/01/05/28/485010528.db2.gz KEHYMDVQPSLFDW-JKSUJKDBSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882328 485009678 /nfs/dbraw/zinc/00/96/78/485009678.db2.gz KQEHULFUIDATET-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882328 485009673 /nfs/dbraw/zinc/00/96/73/485009673.db2.gz KQEHULFUIDATET-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882329 485009585 /nfs/dbraw/zinc/00/95/85/485009585.db2.gz KQEHULFUIDATET-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882329 485009580 /nfs/dbraw/zinc/00/95/80/485009580.db2.gz KQEHULFUIDATET-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882330 485010640 /nfs/dbraw/zinc/01/06/40/485010640.db2.gz KQEHULFUIDATET-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882330 485010636 /nfs/dbraw/zinc/01/06/36/485010636.db2.gz KQEHULFUIDATET-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882331 485009295 /nfs/dbraw/zinc/00/92/95/485009295.db2.gz KQEHULFUIDATET-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000552882331 485009292 /nfs/dbraw/zinc/00/92/92/485009292.db2.gz KQEHULFUIDATET-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000552882623 485011106 /nfs/dbraw/zinc/01/11/06/485011106.db2.gz UAGUSUYYJJDGME-UHFFFAOYSA-N 2 1 351.451 -0.075 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895188 485011394 /nfs/dbraw/zinc/01/13/94/485011394.db2.gz FAEGGBJBVDHXIQ-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895189 485012323 /nfs/dbraw/zinc/01/23/23/485012323.db2.gz FAEGGBJBVDHXIQ-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895190 485011304 /nfs/dbraw/zinc/01/13/04/485011304.db2.gz FAEGGBJBVDHXIQ-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895191 485012214 /nfs/dbraw/zinc/01/22/14/485012214.db2.gz FAEGGBJBVDHXIQ-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901354 485011447 /nfs/dbraw/zinc/01/14/47/485011447.db2.gz LRNSJRGYBYQGIS-HNNXBMFYSA-N 2 1 367.494 -0.756 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901355 485011962 /nfs/dbraw/zinc/01/19/62/485011962.db2.gz LRNSJRGYBYQGIS-OAHLLOKOSA-N 2 1 367.494 -0.756 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901728 485011248 /nfs/dbraw/zinc/01/12/48/485011248.db2.gz SOZVKPYDDVHMDT-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901728 485011242 /nfs/dbraw/zinc/01/12/42/485011242.db2.gz SOZVKPYDDVHMDT-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552901728 485011238 /nfs/dbraw/zinc/01/12/38/485011238.db2.gz SOZVKPYDDVHMDT-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901729 485011579 /nfs/dbraw/zinc/01/15/79/485011579.db2.gz SOZVKPYDDVHMDT-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901729 485011574 /nfs/dbraw/zinc/01/15/74/485011574.db2.gz SOZVKPYDDVHMDT-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552901729 485011566 /nfs/dbraw/zinc/01/15/66/485011566.db2.gz SOZVKPYDDVHMDT-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901730 485012103 /nfs/dbraw/zinc/01/21/03/485012103.db2.gz SOZVKPYDDVHMDT-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901730 485012097 /nfs/dbraw/zinc/01/20/97/485012097.db2.gz SOZVKPYDDVHMDT-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552901730 485012092 /nfs/dbraw/zinc/01/20/92/485012092.db2.gz SOZVKPYDDVHMDT-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901731 485011025 /nfs/dbraw/zinc/01/10/25/485011025.db2.gz SOZVKPYDDVHMDT-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901731 485011019 /nfs/dbraw/zinc/01/10/19/485011019.db2.gz SOZVKPYDDVHMDT-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552901731 485011014 /nfs/dbraw/zinc/01/10/14/485011014.db2.gz SOZVKPYDDVHMDT-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000552937947 485017651 /nfs/dbraw/zinc/01/76/51/485017651.db2.gz UPTYIPMEMMRPNO-INIZCTEOSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000552937947 485017643 /nfs/dbraw/zinc/01/76/43/485017643.db2.gz UPTYIPMEMMRPNO-INIZCTEOSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000552937947 485017634 /nfs/dbraw/zinc/01/76/34/485017634.db2.gz UPTYIPMEMMRPNO-INIZCTEOSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000552937948 485018162 /nfs/dbraw/zinc/01/81/62/485018162.db2.gz UPTYIPMEMMRPNO-MRXNPFEDSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000552937948 485018158 /nfs/dbraw/zinc/01/81/58/485018158.db2.gz UPTYIPMEMMRPNO-MRXNPFEDSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000552937948 485018154 /nfs/dbraw/zinc/01/81/54/485018154.db2.gz UPTYIPMEMMRPNO-MRXNPFEDSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000552939374 485018282 /nfs/dbraw/zinc/01/82/82/485018282.db2.gz IVOAPDMMLRLDRT-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000552939374 485018281 /nfs/dbraw/zinc/01/82/81/485018281.db2.gz IVOAPDMMLRLDRT-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000552939375 485018312 /nfs/dbraw/zinc/01/83/12/485018312.db2.gz IVOAPDMMLRLDRT-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000552939375 485018307 /nfs/dbraw/zinc/01/83/07/485018307.db2.gz IVOAPDMMLRLDRT-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000552969872 485020499 /nfs/dbraw/zinc/02/04/99/485020499.db2.gz VLCXQRPBILSPMI-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000552969872 485020496 /nfs/dbraw/zinc/02/04/96/485020496.db2.gz VLCXQRPBILSPMI-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000552969872 485020489 /nfs/dbraw/zinc/02/04/89/485020489.db2.gz VLCXQRPBILSPMI-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552969906 485021470 /nfs/dbraw/zinc/02/14/70/485021470.db2.gz XCLZJLZODNAEOR-UHFFFAOYSA-N 2 1 363.462 -0.267 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552969906 485021462 /nfs/dbraw/zinc/02/14/62/485021462.db2.gz XCLZJLZODNAEOR-UHFFFAOYSA-N 2 1 363.462 -0.267 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000552970767 485021578 /nfs/dbraw/zinc/02/15/78/485021578.db2.gz OZGSTVDXFWWHPV-UHFFFAOYSA-N 2 1 370.494 -0.748 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553023898 485022827 /nfs/dbraw/zinc/02/28/27/485022827.db2.gz ZAIKZZYFTVACGA-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553023898 485022823 /nfs/dbraw/zinc/02/28/23/485022823.db2.gz ZAIKZZYFTVACGA-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553023899 485023403 /nfs/dbraw/zinc/02/34/03/485023403.db2.gz ZAIKZZYFTVACGA-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553023899 485023396 /nfs/dbraw/zinc/02/33/96/485023396.db2.gz ZAIKZZYFTVACGA-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553025307 485022536 /nfs/dbraw/zinc/02/25/36/485022536.db2.gz WLRHRVBEDYQARD-INIZCTEOSA-N 3 1 355.527 -0.071 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553025308 485022296 /nfs/dbraw/zinc/02/22/96/485022296.db2.gz WLRHRVBEDYQARD-MRXNPFEDSA-N 3 1 355.527 -0.071 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000553036566 485023289 /nfs/dbraw/zinc/02/32/89/485023289.db2.gz APTJHVMBRXLTLO-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000553036566 485023285 /nfs/dbraw/zinc/02/32/85/485023285.db2.gz APTJHVMBRXLTLO-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000553036568 485022260 /nfs/dbraw/zinc/02/22/60/485022260.db2.gz APTJHVMBRXLTLO-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000553036568 485022253 /nfs/dbraw/zinc/02/22/53/485022253.db2.gz APTJHVMBRXLTLO-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000553036569 485022408 /nfs/dbraw/zinc/02/24/08/485022408.db2.gz APTJHVMBRXLTLO-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000553036569 485022401 /nfs/dbraw/zinc/02/24/01/485022401.db2.gz APTJHVMBRXLTLO-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000553036571 485023176 /nfs/dbraw/zinc/02/31/76/485023176.db2.gz APTJHVMBRXLTLO-LSDHHAIUSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000553036571 485023170 /nfs/dbraw/zinc/02/31/70/485023170.db2.gz APTJHVMBRXLTLO-LSDHHAIUSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000553040614 485022959 /nfs/dbraw/zinc/02/29/59/485022959.db2.gz JFVBCANLIXRTBY-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@H+](C)C1CC1 ZINC000553040614 485022953 /nfs/dbraw/zinc/02/29/53/485022953.db2.gz JFVBCANLIXRTBY-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C1CC1 ZINC000553040614 485022950 /nfs/dbraw/zinc/02/29/50/485022950.db2.gz JFVBCANLIXRTBY-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000553040615 485022999 /nfs/dbraw/zinc/02/29/99/485022999.db2.gz JFVBCANLIXRTBY-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@H+](C)C1CC1 ZINC000553040615 485022993 /nfs/dbraw/zinc/02/29/93/485022993.db2.gz JFVBCANLIXRTBY-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C1CC1 ZINC000553040615 485022989 /nfs/dbraw/zinc/02/29/89/485022989.db2.gz JFVBCANLIXRTBY-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+](C)C1CC1 ZINC000553040690 485025039 /nfs/dbraw/zinc/02/50/39/485025039.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+](C)C1CC1 ZINC000553040690 485025032 /nfs/dbraw/zinc/02/50/32/485025032.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+](C)C1CC1 ZINC000553040690 485025026 /nfs/dbraw/zinc/02/50/26/485025026.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+](C)C1CC1 ZINC000553040691 485024289 /nfs/dbraw/zinc/02/42/89/485024289.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+](C)C1CC1 ZINC000553040691 485024287 /nfs/dbraw/zinc/02/42/87/485024287.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+](C)C1CC1 ZINC000553040691 485024283 /nfs/dbraw/zinc/02/42/83/485024283.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000553093281 485026450 /nfs/dbraw/zinc/02/64/50/485026450.db2.gz BCQNJHPKWORHQO-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000553093281 485026446 /nfs/dbraw/zinc/02/64/46/485026446.db2.gz BCQNJHPKWORHQO-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000553096857 485027044 /nfs/dbraw/zinc/02/70/44/485027044.db2.gz HOKZJUNPEQHBJZ-AWEZNQCLSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000553096857 485027040 /nfs/dbraw/zinc/02/70/40/485027040.db2.gz HOKZJUNPEQHBJZ-AWEZNQCLSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000553096858 485026603 /nfs/dbraw/zinc/02/66/03/485026603.db2.gz HOKZJUNPEQHBJZ-CQSZACIVSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000553096858 485026597 /nfs/dbraw/zinc/02/65/97/485026597.db2.gz HOKZJUNPEQHBJZ-CQSZACIVSA-N 2 1 369.510 -0.498 20 0 FBADMP COCCN1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275564 485035167 /nfs/dbraw/zinc/03/51/67/485035167.db2.gz LEPHROZSJYIEDF-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275564 485035165 /nfs/dbraw/zinc/03/51/65/485035165.db2.gz LEPHROZSJYIEDF-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCCN1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275565 485035852 /nfs/dbraw/zinc/03/58/52/485035852.db2.gz LEPHROZSJYIEDF-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275565 485035848 /nfs/dbraw/zinc/03/58/48/485035848.db2.gz LEPHROZSJYIEDF-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275566 485036003 /nfs/dbraw/zinc/03/60/03/485036003.db2.gz LEPHROZSJYIEDF-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275566 485035996 /nfs/dbraw/zinc/03/59/96/485035996.db2.gz LEPHROZSJYIEDF-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275567 485035442 /nfs/dbraw/zinc/03/54/42/485035442.db2.gz LEPHROZSJYIEDF-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275567 485035436 /nfs/dbraw/zinc/03/54/36/485035436.db2.gz LEPHROZSJYIEDF-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000553275608 485035630 /nfs/dbraw/zinc/03/56/30/485035630.db2.gz LUIASVAWZBWYSU-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000553275609 485034922 /nfs/dbraw/zinc/03/49/22/485034922.db2.gz LUIASVAWZBWYSU-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000553275610 485035038 /nfs/dbraw/zinc/03/50/38/485035038.db2.gz LUIASVAWZBWYSU-OFQRWUPVSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000553275611 485035313 /nfs/dbraw/zinc/03/53/13/485035313.db2.gz LUIASVAWZBWYSU-SQWLQELKSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000553275883 485037652 /nfs/dbraw/zinc/03/76/52/485037652.db2.gz XDDBCQNCRWDUTL-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000553275883 485037646 /nfs/dbraw/zinc/03/76/46/485037646.db2.gz XDDBCQNCRWDUTL-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000553275883 485037638 /nfs/dbraw/zinc/03/76/38/485037638.db2.gz XDDBCQNCRWDUTL-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000553275884 485037040 /nfs/dbraw/zinc/03/70/40/485037040.db2.gz XDDBCQNCRWDUTL-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000553275884 485037036 /nfs/dbraw/zinc/03/70/36/485037036.db2.gz XDDBCQNCRWDUTL-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000553275884 485037031 /nfs/dbraw/zinc/03/70/31/485037031.db2.gz XDDBCQNCRWDUTL-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000553275885 485036708 /nfs/dbraw/zinc/03/67/08/485036708.db2.gz XDDBCQNCRWDUTL-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000553275885 485036704 /nfs/dbraw/zinc/03/67/04/485036704.db2.gz XDDBCQNCRWDUTL-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000553275885 485036698 /nfs/dbraw/zinc/03/66/98/485036698.db2.gz XDDBCQNCRWDUTL-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000553275886 485037810 /nfs/dbraw/zinc/03/78/10/485037810.db2.gz XDDBCQNCRWDUTL-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000553275886 485037803 /nfs/dbraw/zinc/03/78/03/485037803.db2.gz XDDBCQNCRWDUTL-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000553275886 485037795 /nfs/dbraw/zinc/03/77/95/485037795.db2.gz XDDBCQNCRWDUTL-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000553343048 485042540 /nfs/dbraw/zinc/04/25/40/485042540.db2.gz BLFLGZUOBSQWTO-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000553343048 485042532 /nfs/dbraw/zinc/04/25/32/485042532.db2.gz BLFLGZUOBSQWTO-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000553371238 485044770 /nfs/dbraw/zinc/04/47/70/485044770.db2.gz DJCRHHGDMNYNAT-AWEZNQCLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000553371238 485044763 /nfs/dbraw/zinc/04/47/63/485044763.db2.gz DJCRHHGDMNYNAT-AWEZNQCLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000553371239 485045368 /nfs/dbraw/zinc/04/53/68/485045368.db2.gz DJCRHHGDMNYNAT-CQSZACIVSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000553371239 485045363 /nfs/dbraw/zinc/04/53/63/485045363.db2.gz DJCRHHGDMNYNAT-CQSZACIVSA-N 2 1 367.494 -0.792 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000553393963 485043881 /nfs/dbraw/zinc/04/38/81/485043881.db2.gz CZPPMFPYRNBUSI-HNNXBMFYSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000553393963 485043876 /nfs/dbraw/zinc/04/38/76/485043876.db2.gz CZPPMFPYRNBUSI-HNNXBMFYSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000553393963 485043868 /nfs/dbraw/zinc/04/38/68/485043868.db2.gz CZPPMFPYRNBUSI-HNNXBMFYSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000553393965 485045144 /nfs/dbraw/zinc/04/51/44/485045144.db2.gz CZPPMFPYRNBUSI-OAHLLOKOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000553393965 485045141 /nfs/dbraw/zinc/04/51/41/485045141.db2.gz CZPPMFPYRNBUSI-OAHLLOKOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000553393965 485045138 /nfs/dbraw/zinc/04/51/38/485045138.db2.gz CZPPMFPYRNBUSI-OAHLLOKOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000553394360 485045569 /nfs/dbraw/zinc/04/55/69/485045569.db2.gz MOBAZEHGIHBUBH-JYJNAYRXSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000553394361 485043949 /nfs/dbraw/zinc/04/39/49/485043949.db2.gz MOBAZEHGIHBUBH-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394362 485044109 /nfs/dbraw/zinc/04/41/09/485044109.db2.gz MOBAZEHGIHBUBH-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394362 485044103 /nfs/dbraw/zinc/04/41/03/485044103.db2.gz MOBAZEHGIHBUBH-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394362 485044097 /nfs/dbraw/zinc/04/40/97/485044097.db2.gz MOBAZEHGIHBUBH-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394363 485045198 /nfs/dbraw/zinc/04/51/98/485045198.db2.gz MOBAZEHGIHBUBH-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394363 485045196 /nfs/dbraw/zinc/04/51/96/485045196.db2.gz MOBAZEHGIHBUBH-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394363 485045193 /nfs/dbraw/zinc/04/51/93/485045193.db2.gz MOBAZEHGIHBUBH-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000553395526 485045241 /nfs/dbraw/zinc/04/52/41/485045241.db2.gz KHHLZNQXQBCAAG-CVEARBPZSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000553395527 485045288 /nfs/dbraw/zinc/04/52/88/485045288.db2.gz KHHLZNQXQBCAAG-HOTGVXAUSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000553395528 485044044 /nfs/dbraw/zinc/04/40/44/485044044.db2.gz KHHLZNQXQBCAAG-HZPDHXFCSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000553395529 485045025 /nfs/dbraw/zinc/04/50/25/485045025.db2.gz KHHLZNQXQBCAAG-JKSUJKDBSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000553395922 485044377 /nfs/dbraw/zinc/04/43/77/485044377.db2.gz RRQGPWKRGYWDTI-HNSVSWJLSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000553395922 485044371 /nfs/dbraw/zinc/04/43/71/485044371.db2.gz RRQGPWKRGYWDTI-HNSVSWJLSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000553395922 485044366 /nfs/dbraw/zinc/04/43/66/485044366.db2.gz RRQGPWKRGYWDTI-HNSVSWJLSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000553395923 485045051 /nfs/dbraw/zinc/04/50/51/485045051.db2.gz RRQGPWKRGYWDTI-WZYMTQMTSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000553395923 485045048 /nfs/dbraw/zinc/04/50/48/485045048.db2.gz RRQGPWKRGYWDTI-WZYMTQMTSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000553395923 485045045 /nfs/dbraw/zinc/04/50/45/485045045.db2.gz RRQGPWKRGYWDTI-WZYMTQMTSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000553397614 485046635 /nfs/dbraw/zinc/04/66/35/485046635.db2.gz VLPVQYNBCHYLHU-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000553397614 485046632 /nfs/dbraw/zinc/04/66/32/485046632.db2.gz VLPVQYNBCHYLHU-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397614 485046629 /nfs/dbraw/zinc/04/66/29/485046629.db2.gz VLPVQYNBCHYLHU-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000553397617 485046655 /nfs/dbraw/zinc/04/66/55/485046655.db2.gz VLPVQYNBCHYLHU-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000553397617 485046653 /nfs/dbraw/zinc/04/66/53/485046653.db2.gz VLPVQYNBCHYLHU-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397617 485046651 /nfs/dbraw/zinc/04/66/51/485046651.db2.gz VLPVQYNBCHYLHU-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000553397619 485046460 /nfs/dbraw/zinc/04/64/60/485046460.db2.gz VLPVQYNBCHYLHU-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000553397619 485046454 /nfs/dbraw/zinc/04/64/54/485046454.db2.gz VLPVQYNBCHYLHU-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397619 485046448 /nfs/dbraw/zinc/04/64/48/485046448.db2.gz VLPVQYNBCHYLHU-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000553397620 485047463 /nfs/dbraw/zinc/04/74/63/485047463.db2.gz VLPVQYNBCHYLHU-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000553397620 485047458 /nfs/dbraw/zinc/04/74/58/485047458.db2.gz VLPVQYNBCHYLHU-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397620 485047453 /nfs/dbraw/zinc/04/74/53/485047453.db2.gz VLPVQYNBCHYLHU-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000553544939 485053014 /nfs/dbraw/zinc/05/30/14/485053014.db2.gz NGUCKQUGQUGGOD-BZUAXINKSA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000553544939 485053010 /nfs/dbraw/zinc/05/30/10/485053010.db2.gz NGUCKQUGQUGGOD-BZUAXINKSA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000553544940 485052944 /nfs/dbraw/zinc/05/29/44/485052944.db2.gz NGUCKQUGQUGGOD-OAGGEKHMSA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000553544940 485052938 /nfs/dbraw/zinc/05/29/38/485052938.db2.gz NGUCKQUGQUGGOD-OAGGEKHMSA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000553544941 485052901 /nfs/dbraw/zinc/05/29/01/485052901.db2.gz NGUCKQUGQUGGOD-OWCLPIDISA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000553544941 485052893 /nfs/dbraw/zinc/05/28/93/485052893.db2.gz NGUCKQUGQUGGOD-OWCLPIDISA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000553544942 485053572 /nfs/dbraw/zinc/05/35/72/485053572.db2.gz NGUCKQUGQUGGOD-PMPSAXMXSA-N 2 1 367.494 -0.169 20 0 FBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000553544942 485053567 /nfs/dbraw/zinc/05/35/67/485053567.db2.gz NGUCKQUGQUGGOD-PMPSAXMXSA-N 2 1 367.494 -0.169 20 0 FBADMP CC(C)Nc1nc(NC[C@H]2[N@@H+](C)CCCC2(C)C)nc(NCCO)[nH+]1 ZINC000553566195 485055137 /nfs/dbraw/zinc/05/51/37/485055137.db2.gz YRJKBPDKNNZPIO-CYBMUJFWSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@H]2[N@H+](C)CCCC2(C)C)nc(NCCO)[nH+]1 ZINC000553566195 485055132 /nfs/dbraw/zinc/05/51/32/485055132.db2.gz YRJKBPDKNNZPIO-CYBMUJFWSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)nc(NCCO)[nH+]1 ZINC000553566196 485055063 /nfs/dbraw/zinc/05/50/63/485055063.db2.gz YRJKBPDKNNZPIO-ZDUSSCGKSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)nc(NCCO)[nH+]1 ZINC000553566196 485055057 /nfs/dbraw/zinc/05/50/57/485055057.db2.gz YRJKBPDKNNZPIO-ZDUSSCGKSA-N 2 1 351.499 -0.106 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685512 485060952 /nfs/dbraw/zinc/06/09/52/485060952.db2.gz WWHJDOMMHOMPHX-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685515 485060393 /nfs/dbraw/zinc/06/03/93/485060393.db2.gz WWHJDOMMHOMPHX-GOEBONIOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685517 485060329 /nfs/dbraw/zinc/06/03/29/485060329.db2.gz WWHJDOMMHOMPHX-HOCLYGCPSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685519 485060882 /nfs/dbraw/zinc/06/08/82/485060882.db2.gz WWHJDOMMHOMPHX-ZBFHGGJFSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000553712122 485062457 /nfs/dbraw/zinc/06/24/57/485062457.db2.gz QPLXVNGLABPMBI-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000553712126 485062368 /nfs/dbraw/zinc/06/23/68/485062368.db2.gz QPLXVNGLABPMBI-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000553732207 485062478 /nfs/dbraw/zinc/06/24/78/485062478.db2.gz PZICUIKDJAQGIA-HNNXBMFYSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000553732208 485062672 /nfs/dbraw/zinc/06/26/72/485062672.db2.gz PZICUIKDJAQGIA-OAHLLOKOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000553732349 485062340 /nfs/dbraw/zinc/06/23/40/485062340.db2.gz BFFCYFLOJIWUOK-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000553732349 485062332 /nfs/dbraw/zinc/06/23/32/485062332.db2.gz BFFCYFLOJIWUOK-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000553732349 485062329 /nfs/dbraw/zinc/06/23/29/485062329.db2.gz BFFCYFLOJIWUOK-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000553732350 485062836 /nfs/dbraw/zinc/06/28/36/485062836.db2.gz BFFCYFLOJIWUOK-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000553732350 485062830 /nfs/dbraw/zinc/06/28/30/485062830.db2.gz BFFCYFLOJIWUOK-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000553732350 485062823 /nfs/dbraw/zinc/06/28/23/485062823.db2.gz BFFCYFLOJIWUOK-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000553733171 485063030 /nfs/dbraw/zinc/06/30/30/485063030.db2.gz HQXVBOWHMPWGIV-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000553733173 485063001 /nfs/dbraw/zinc/06/30/01/485063001.db2.gz HQXVBOWHMPWGIV-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000553733175 485061727 /nfs/dbraw/zinc/06/17/27/485061727.db2.gz HQXVBOWHMPWGIV-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000553733177 485062270 /nfs/dbraw/zinc/06/22/70/485062270.db2.gz HQXVBOWHMPWGIV-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000553733470 485062790 /nfs/dbraw/zinc/06/27/90/485062790.db2.gz QSCUYRCULBOMNG-FHERZECASA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000553733472 485061982 /nfs/dbraw/zinc/06/19/82/485061982.db2.gz QSCUYRCULBOMNG-QQFBHYJXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000553733744 485062715 /nfs/dbraw/zinc/06/27/15/485062715.db2.gz CLSNXWMCBCOSKZ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000553733744 485062709 /nfs/dbraw/zinc/06/27/09/485062709.db2.gz CLSNXWMCBCOSKZ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000553733744 485062705 /nfs/dbraw/zinc/06/27/05/485062705.db2.gz CLSNXWMCBCOSKZ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000553733745 485062951 /nfs/dbraw/zinc/06/29/51/485062951.db2.gz CLSNXWMCBCOSKZ-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000553733745 485062947 /nfs/dbraw/zinc/06/29/47/485062947.db2.gz CLSNXWMCBCOSKZ-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000553733745 485062943 /nfs/dbraw/zinc/06/29/43/485062943.db2.gz CLSNXWMCBCOSKZ-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000553733746 485062558 /nfs/dbraw/zinc/06/25/58/485062558.db2.gz CLSNXWMCBCOSKZ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000553733746 485062553 /nfs/dbraw/zinc/06/25/53/485062553.db2.gz CLSNXWMCBCOSKZ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000553733746 485062549 /nfs/dbraw/zinc/06/25/49/485062549.db2.gz CLSNXWMCBCOSKZ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000553733747 485062747 /nfs/dbraw/zinc/06/27/47/485062747.db2.gz CLSNXWMCBCOSKZ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000553733747 485062742 /nfs/dbraw/zinc/06/27/42/485062742.db2.gz CLSNXWMCBCOSKZ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000553733747 485062739 /nfs/dbraw/zinc/06/27/39/485062739.db2.gz CLSNXWMCBCOSKZ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000553776670 485065152 /nfs/dbraw/zinc/06/51/52/485065152.db2.gz QAXFEVBTEWSVMM-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000553846580 485066537 /nfs/dbraw/zinc/06/65/37/485066537.db2.gz IRYMOVOSVNQKRL-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000554041844 485075418 /nfs/dbraw/zinc/07/54/18/485075418.db2.gz KMNAKYGXIYWEFU-CVEARBPZSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000554041844 485075413 /nfs/dbraw/zinc/07/54/13/485075413.db2.gz KMNAKYGXIYWEFU-CVEARBPZSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000554041844 485075406 /nfs/dbraw/zinc/07/54/06/485075406.db2.gz KMNAKYGXIYWEFU-CVEARBPZSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000554041851 485075627 /nfs/dbraw/zinc/07/56/27/485075627.db2.gz KMNAKYGXIYWEFU-HOTGVXAUSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000554041851 485075622 /nfs/dbraw/zinc/07/56/22/485075622.db2.gz KMNAKYGXIYWEFU-HOTGVXAUSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000554041851 485075617 /nfs/dbraw/zinc/07/56/17/485075617.db2.gz KMNAKYGXIYWEFU-HOTGVXAUSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000554041852 485076908 /nfs/dbraw/zinc/07/69/08/485076908.db2.gz KMNAKYGXIYWEFU-HZPDHXFCSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000554041852 485076903 /nfs/dbraw/zinc/07/69/03/485076903.db2.gz KMNAKYGXIYWEFU-HZPDHXFCSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000554041852 485076900 /nfs/dbraw/zinc/07/69/00/485076900.db2.gz KMNAKYGXIYWEFU-HZPDHXFCSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000554041853 485076044 /nfs/dbraw/zinc/07/60/44/485076044.db2.gz KMNAKYGXIYWEFU-JKSUJKDBSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000554041853 485076039 /nfs/dbraw/zinc/07/60/39/485076039.db2.gz KMNAKYGXIYWEFU-JKSUJKDBSA-N 2 1 353.511 -0.558 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000554041853 485076034 /nfs/dbraw/zinc/07/60/34/485076034.db2.gz KMNAKYGXIYWEFU-JKSUJKDBSA-N 2 1 353.511 -0.558 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000554044253 485076779 /nfs/dbraw/zinc/07/67/79/485076779.db2.gz TWDPVTPWIYTOTB-CABCVRRESA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000554044253 485076776 /nfs/dbraw/zinc/07/67/76/485076776.db2.gz TWDPVTPWIYTOTB-CABCVRRESA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000554044255 485075496 /nfs/dbraw/zinc/07/54/96/485075496.db2.gz TWDPVTPWIYTOTB-GJZGRUSLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000554044255 485075489 /nfs/dbraw/zinc/07/54/89/485075489.db2.gz TWDPVTPWIYTOTB-GJZGRUSLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000554044256 485076880 /nfs/dbraw/zinc/07/68/80/485076880.db2.gz TWDPVTPWIYTOTB-HUUCEWRRSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000554044256 485076876 /nfs/dbraw/zinc/07/68/76/485076876.db2.gz TWDPVTPWIYTOTB-HUUCEWRRSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000554044257 485075963 /nfs/dbraw/zinc/07/59/63/485075963.db2.gz TWDPVTPWIYTOTB-LSDHHAIUSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000554044257 485075958 /nfs/dbraw/zinc/07/59/58/485075958.db2.gz TWDPVTPWIYTOTB-LSDHHAIUSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044818 485076696 /nfs/dbraw/zinc/07/66/96/485076696.db2.gz XWZVMBFTMOAAMK-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044820 485076266 /nfs/dbraw/zinc/07/62/66/485076266.db2.gz XWZVMBFTMOAAMK-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044821 485076174 /nfs/dbraw/zinc/07/61/74/485076174.db2.gz XWZVMBFTMOAAMK-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044822 485076671 /nfs/dbraw/zinc/07/66/71/485076671.db2.gz XWZVMBFTMOAAMK-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000554106618 485078867 /nfs/dbraw/zinc/07/88/67/485078867.db2.gz OCTGTJPDKMQZFC-UHFFFAOYSA-N 2 1 367.494 -0.792 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000554106618 485078864 /nfs/dbraw/zinc/07/88/64/485078864.db2.gz OCTGTJPDKMQZFC-UHFFFAOYSA-N 2 1 367.494 -0.792 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)n1C ZINC000554183940 485079973 /nfs/dbraw/zinc/07/99/73/485079973.db2.gz PHOMJCFFSBJZPO-UHFFFAOYSA-N 2 1 350.467 -0.098 20 0 FBADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000554336581 485086366 /nfs/dbraw/zinc/08/63/66/485086366.db2.gz GFSMAEBSBGDREB-UHFFFAOYSA-N 2 1 356.467 -0.602 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554342491 485088633 /nfs/dbraw/zinc/08/86/33/485088633.db2.gz FZTVOUKQANHVCD-INIZCTEOSA-N 2 1 353.511 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554342492 485088447 /nfs/dbraw/zinc/08/84/47/485088447.db2.gz FZTVOUKQANHVCD-MRXNPFEDSA-N 2 1 353.511 -0.461 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000554342525 485088872 /nfs/dbraw/zinc/08/88/72/485088872.db2.gz HAXOUTCPXLDZEM-KRWDZBQOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000554342525 485088869 /nfs/dbraw/zinc/08/88/69/485088869.db2.gz HAXOUTCPXLDZEM-KRWDZBQOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000554342525 485088864 /nfs/dbraw/zinc/08/88/64/485088864.db2.gz HAXOUTCPXLDZEM-KRWDZBQOSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000554342526 485088189 /nfs/dbraw/zinc/08/81/89/485088189.db2.gz HAXOUTCPXLDZEM-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000554342526 485088185 /nfs/dbraw/zinc/08/81/85/485088185.db2.gz HAXOUTCPXLDZEM-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000554342526 485088181 /nfs/dbraw/zinc/08/81/81/485088181.db2.gz HAXOUTCPXLDZEM-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000554342691 485088380 /nfs/dbraw/zinc/08/83/80/485088380.db2.gz IXKVHOSEFZWUEJ-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000554342692 485087801 /nfs/dbraw/zinc/08/78/01/485087801.db2.gz IXKVHOSEFZWUEJ-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554342712 485088168 /nfs/dbraw/zinc/08/81/68/485088168.db2.gz CPLXEMUIINDINL-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554342714 485088610 /nfs/dbraw/zinc/08/86/10/485088610.db2.gz CPLXEMUIINDINL-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554342757 485088278 /nfs/dbraw/zinc/08/82/78/485088278.db2.gz DLURDYMHEFPTNT-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554342758 485088052 /nfs/dbraw/zinc/08/80/52/485088052.db2.gz DLURDYMHEFPTNT-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554342759 485088922 /nfs/dbraw/zinc/08/89/22/485088922.db2.gz DLURDYMHEFPTNT-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554342760 485087521 /nfs/dbraw/zinc/08/75/21/485087521.db2.gz DLURDYMHEFPTNT-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000554342762 485087582 /nfs/dbraw/zinc/08/75/82/485087582.db2.gz DUJFIHCCJIAKFZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000554342762 485087577 /nfs/dbraw/zinc/08/75/77/485087577.db2.gz DUJFIHCCJIAKFZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554342762 485087573 /nfs/dbraw/zinc/08/75/73/485087573.db2.gz DUJFIHCCJIAKFZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000554342763 485089140 /nfs/dbraw/zinc/08/91/40/485089140.db2.gz DUJFIHCCJIAKFZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000554342763 485089135 /nfs/dbraw/zinc/08/91/35/485089135.db2.gz DUJFIHCCJIAKFZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554342763 485089129 /nfs/dbraw/zinc/08/91/29/485089129.db2.gz DUJFIHCCJIAKFZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000554343298 485087335 /nfs/dbraw/zinc/08/73/35/485087335.db2.gz NQNNKYSVWZNFCS-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000554343300 485087932 /nfs/dbraw/zinc/08/79/32/485087932.db2.gz NQNNKYSVWZNFCS-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554343410 485088699 /nfs/dbraw/zinc/08/86/99/485088699.db2.gz USHYTDIUCYVHOR-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554343410 485088692 /nfs/dbraw/zinc/08/86/92/485088692.db2.gz USHYTDIUCYVHOR-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000554343410 485088685 /nfs/dbraw/zinc/08/86/85/485088685.db2.gz USHYTDIUCYVHOR-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554343411 485087549 /nfs/dbraw/zinc/08/75/49/485087549.db2.gz USHYTDIUCYVHOR-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554343411 485087546 /nfs/dbraw/zinc/08/75/46/485087546.db2.gz USHYTDIUCYVHOR-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000554343411 485087541 /nfs/dbraw/zinc/08/75/41/485087541.db2.gz USHYTDIUCYVHOR-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554343413 485089089 /nfs/dbraw/zinc/08/90/89/485089089.db2.gz USHYTDIUCYVHOR-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554343413 485089083 /nfs/dbraw/zinc/08/90/83/485089083.db2.gz USHYTDIUCYVHOR-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000554343413 485089077 /nfs/dbraw/zinc/08/90/77/485089077.db2.gz USHYTDIUCYVHOR-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554343415 485087958 /nfs/dbraw/zinc/08/79/58/485087958.db2.gz USHYTDIUCYVHOR-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554343415 485087952 /nfs/dbraw/zinc/08/79/52/485087952.db2.gz USHYTDIUCYVHOR-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000554343415 485087948 /nfs/dbraw/zinc/08/79/48/485087948.db2.gz USHYTDIUCYVHOR-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554343474 485089273 /nfs/dbraw/zinc/08/92/73/485089273.db2.gz PPNFCHOIAMJQAD-INIZCTEOSA-N 2 1 351.495 -0.661 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554343475 485087842 /nfs/dbraw/zinc/08/78/42/485087842.db2.gz PPNFCHOIAMJQAD-MRXNPFEDSA-N 2 1 351.495 -0.661 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000554343917 485088479 /nfs/dbraw/zinc/08/84/79/485088479.db2.gz YKPHNTZZBQZZLK-JYJNAYRXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000554343917 485088475 /nfs/dbraw/zinc/08/84/75/485088475.db2.gz YKPHNTZZBQZZLK-JYJNAYRXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554343917 485088467 /nfs/dbraw/zinc/08/84/67/485088467.db2.gz YKPHNTZZBQZZLK-JYJNAYRXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000554343918 485089173 /nfs/dbraw/zinc/08/91/73/485089173.db2.gz YKPHNTZZBQZZLK-OAGGEKHMSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000554343918 485089168 /nfs/dbraw/zinc/08/91/68/485089168.db2.gz YKPHNTZZBQZZLK-OAGGEKHMSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554343918 485089164 /nfs/dbraw/zinc/08/91/64/485089164.db2.gz YKPHNTZZBQZZLK-OAGGEKHMSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000554343919 485087471 /nfs/dbraw/zinc/08/74/71/485087471.db2.gz YKPHNTZZBQZZLK-PMPSAXMXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000554343919 485087466 /nfs/dbraw/zinc/08/74/66/485087466.db2.gz YKPHNTZZBQZZLK-PMPSAXMXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554343919 485087460 /nfs/dbraw/zinc/08/74/60/485087460.db2.gz YKPHNTZZBQZZLK-PMPSAXMXSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000554343920 485087675 /nfs/dbraw/zinc/08/76/75/485087675.db2.gz YKPHNTZZBQZZLK-XHSDSOJGSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000554343920 485087671 /nfs/dbraw/zinc/08/76/71/485087671.db2.gz YKPHNTZZBQZZLK-XHSDSOJGSA-N 2 1 353.511 -0.463 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554343920 485087667 /nfs/dbraw/zinc/08/76/67/485087667.db2.gz YKPHNTZZBQZZLK-XHSDSOJGSA-N 2 1 353.511 -0.463 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343961 485088019 /nfs/dbraw/zinc/08/80/19/485088019.db2.gz ZNYFMXPMFGQZIF-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343962 485088945 /nfs/dbraw/zinc/08/89/45/485088945.db2.gz ZNYFMXPMFGQZIF-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343963 485089306 /nfs/dbraw/zinc/08/93/06/485089306.db2.gz ZNYFMXPMFGQZIF-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343964 485088233 /nfs/dbraw/zinc/08/82/33/485088233.db2.gz ZNYFMXPMFGQZIF-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554506325 485094358 /nfs/dbraw/zinc/09/43/58/485094358.db2.gz WKQKSMMLPFBZPC-BBWFWOEESA-N 2 1 355.527 -0.034 20 0 FBADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506326 485093848 /nfs/dbraw/zinc/09/38/48/485093848.db2.gz WKQKSMMLPFBZPC-IKGGRYGDSA-N 2 1 355.527 -0.034 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554506327 485093672 /nfs/dbraw/zinc/09/36/72/485093672.db2.gz WKQKSMMLPFBZPC-ULQDDVLXSA-N 2 1 355.527 -0.034 20 0 FBADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506328 485094309 /nfs/dbraw/zinc/09/43/09/485094309.db2.gz WKQKSMMLPFBZPC-ZACQAIPSSA-N 2 1 355.527 -0.034 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000554584612 485097035 /nfs/dbraw/zinc/09/70/35/485097035.db2.gz LTRQWFYROPILHV-INIZCTEOSA-N 2 1 367.538 -0.166 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000554584626 485097070 /nfs/dbraw/zinc/09/70/70/485097070.db2.gz LTRQWFYROPILHV-MRXNPFEDSA-N 2 1 367.538 -0.166 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000554584899 485096812 /nfs/dbraw/zinc/09/68/12/485096812.db2.gz RYBOQTWBYNWEFH-UHFFFAOYSA-N 2 1 367.494 -0.885 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555613017 485122774 /nfs/dbraw/zinc/12/27/74/485122774.db2.gz DHCLVOBUHIWRKV-AWEZNQCLSA-N 2 1 353.511 -0.226 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555613018 485122652 /nfs/dbraw/zinc/12/26/52/485122652.db2.gz DHCLVOBUHIWRKV-CQSZACIVSA-N 2 1 353.511 -0.226 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000555614458 485122739 /nfs/dbraw/zinc/12/27/39/485122739.db2.gz AETZKSXXJVBFQW-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000555614458 485122735 /nfs/dbraw/zinc/12/27/35/485122735.db2.gz AETZKSXXJVBFQW-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000555614459 485122439 /nfs/dbraw/zinc/12/24/39/485122439.db2.gz AETZKSXXJVBFQW-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000555614459 485122434 /nfs/dbraw/zinc/12/24/34/485122434.db2.gz AETZKSXXJVBFQW-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCO1 ZINC000555616941 485122252 /nfs/dbraw/zinc/12/22/52/485122252.db2.gz HDIUIHTXFOTDPT-INIZCTEOSA-N 2 1 370.494 -0.558 20 0 FBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCO1 ZINC000555616941 485122249 /nfs/dbraw/zinc/12/22/49/485122249.db2.gz HDIUIHTXFOTDPT-INIZCTEOSA-N 2 1 370.494 -0.558 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCO1 ZINC000555616942 485122833 /nfs/dbraw/zinc/12/28/33/485122833.db2.gz HDIUIHTXFOTDPT-MRXNPFEDSA-N 2 1 370.494 -0.558 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCO1 ZINC000555616942 485122830 /nfs/dbraw/zinc/12/28/30/485122830.db2.gz HDIUIHTXFOTDPT-MRXNPFEDSA-N 2 1 370.494 -0.558 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000555638566 485123889 /nfs/dbraw/zinc/12/38/89/485123889.db2.gz ASXGWQFPCQCHFF-UHFFFAOYSA-N 2 1 355.483 -0.933 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000555638624 485123148 /nfs/dbraw/zinc/12/31/48/485123148.db2.gz DTELBCTZKGIRFH-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000555638628 485123704 /nfs/dbraw/zinc/12/37/04/485123704.db2.gz DTELBCTZKGIRFH-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000555698705 485126625 /nfs/dbraw/zinc/12/66/25/485126625.db2.gz QDKCVCKSOVKVRU-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000555700772 485126568 /nfs/dbraw/zinc/12/65/68/485126568.db2.gz JMDZZUUGCIERJF-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000555700772 485126563 /nfs/dbraw/zinc/12/65/63/485126563.db2.gz JMDZZUUGCIERJF-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000555700773 485126240 /nfs/dbraw/zinc/12/62/40/485126240.db2.gz JMDZZUUGCIERJF-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000555700773 485126235 /nfs/dbraw/zinc/12/62/35/485126235.db2.gz JMDZZUUGCIERJF-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000555703655 485126405 /nfs/dbraw/zinc/12/64/05/485126405.db2.gz IVSSCKZVOVGJNG-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725239 485127326 /nfs/dbraw/zinc/12/73/26/485127326.db2.gz RLAJOYBQVQSHLX-HNNXBMFYSA-N 2 1 350.467 -0.611 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725240 485128269 /nfs/dbraw/zinc/12/82/69/485128269.db2.gz RLAJOYBQVQSHLX-OAHLLOKOSA-N 2 1 350.467 -0.611 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC000555729294 485127914 /nfs/dbraw/zinc/12/79/14/485127914.db2.gz RAHLKWGYIVCIAA-AWEZNQCLSA-N 2 1 351.451 -0.149 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC000555729294 485127910 /nfs/dbraw/zinc/12/79/10/485127910.db2.gz RAHLKWGYIVCIAA-AWEZNQCLSA-N 2 1 351.451 -0.149 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC000555729295 485127610 /nfs/dbraw/zinc/12/76/10/485127610.db2.gz RAHLKWGYIVCIAA-CQSZACIVSA-N 2 1 351.451 -0.149 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC000555729295 485127604 /nfs/dbraw/zinc/12/76/04/485127604.db2.gz RAHLKWGYIVCIAA-CQSZACIVSA-N 2 1 351.451 -0.149 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000555730769 485128114 /nfs/dbraw/zinc/12/81/14/485128114.db2.gz SHOZSOYHMVIFSG-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000555730769 485128109 /nfs/dbraw/zinc/12/81/09/485128109.db2.gz SHOZSOYHMVIFSG-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000555730770 485128302 /nfs/dbraw/zinc/12/83/02/485128302.db2.gz SHOZSOYHMVIFSG-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000555730770 485128299 /nfs/dbraw/zinc/12/82/99/485128299.db2.gz SHOZSOYHMVIFSG-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000555730771 485127222 /nfs/dbraw/zinc/12/72/22/485127222.db2.gz SHOZSOYHMVIFSG-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000555730771 485127219 /nfs/dbraw/zinc/12/72/19/485127219.db2.gz SHOZSOYHMVIFSG-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000555730772 485127396 /nfs/dbraw/zinc/12/73/96/485127396.db2.gz SHOZSOYHMVIFSG-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000555730772 485127391 /nfs/dbraw/zinc/12/73/91/485127391.db2.gz SHOZSOYHMVIFSG-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000555860675 485132195 /nfs/dbraw/zinc/13/21/95/485132195.db2.gz NFFITAWDZQEAOI-INIZCTEOSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000555860676 485132172 /nfs/dbraw/zinc/13/21/72/485132172.db2.gz NFFITAWDZQEAOI-MRXNPFEDSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000555878235 485132389 /nfs/dbraw/zinc/13/23/89/485132389.db2.gz URDZNGYQKZSSQP-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000555878242 485132216 /nfs/dbraw/zinc/13/22/16/485132216.db2.gz URDZNGYQKZSSQP-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555887352 485132715 /nfs/dbraw/zinc/13/27/15/485132715.db2.gz CVESGKUPEXAZNR-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555887353 485132642 /nfs/dbraw/zinc/13/26/42/485132642.db2.gz CVESGKUPEXAZNR-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555888667 485132117 /nfs/dbraw/zinc/13/21/17/485132117.db2.gz XJECWYLOVZXSQB-UHFFFAOYSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921026 485133300 /nfs/dbraw/zinc/13/33/00/485133300.db2.gz KQELHQKCKRTEHR-DOTOQJQBSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921027 485135182 /nfs/dbraw/zinc/13/51/82/485135182.db2.gz KQELHQKCKRTEHR-NVXWUHKLSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921028 485134649 /nfs/dbraw/zinc/13/46/49/485134649.db2.gz KQELHQKCKRTEHR-RDJZCZTQSA-N 2 1 367.538 -0.027 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921029 485134535 /nfs/dbraw/zinc/13/45/35/485134535.db2.gz KQELHQKCKRTEHR-WBVHZDCISA-N 2 1 367.538 -0.027 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000555921396 485134765 /nfs/dbraw/zinc/13/47/65/485134765.db2.gz MBESEPWXXHMGKC-KRWDZBQOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000555921403 485135083 /nfs/dbraw/zinc/13/50/83/485135083.db2.gz MBESEPWXXHMGKC-QGZVFWFLSA-N 2 1 367.538 -0.025 20 0 FBADMP Cc1nc(NC[C@](C)(O)C[NH+](C)C)cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000555962029 484461346 /nfs/dbraw/zinc/46/13/46/484461346.db2.gz WTTPCLFRHTXURW-CALCHBBNSA-N 3 1 354.499 0.234 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000555965767 485135937 /nfs/dbraw/zinc/13/59/37/485135937.db2.gz WERBOLBJPPZYBG-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555975144 485136068 /nfs/dbraw/zinc/13/60/68/485136068.db2.gz GTWLBZXLTFFKOM-UHFFFAOYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000556015569 485137505 /nfs/dbraw/zinc/13/75/05/485137505.db2.gz ZMXAYHKEXJZCCO-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000556015569 485137499 /nfs/dbraw/zinc/13/74/99/485137499.db2.gz ZMXAYHKEXJZCCO-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000556015569 485137494 /nfs/dbraw/zinc/13/74/94/485137494.db2.gz ZMXAYHKEXJZCCO-UHFFFAOYSA-N 2 1 355.527 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[N@@H+](C)C1CC1 ZINC000556017239 485136948 /nfs/dbraw/zinc/13/69/48/485136948.db2.gz NTRQUJVKKSNJCC-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[N@H+](C)C1CC1 ZINC000556017239 485136943 /nfs/dbraw/zinc/13/69/43/485136943.db2.gz NTRQUJVKKSNJCC-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000556017239 485136939 /nfs/dbraw/zinc/13/69/39/485136939.db2.gz NTRQUJVKKSNJCC-AWEZNQCLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[N@@H+](C)C1CC1 ZINC000556017249 485136880 /nfs/dbraw/zinc/13/68/80/485136880.db2.gz NTRQUJVKKSNJCC-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[N@H+](C)C1CC1 ZINC000556017249 485136877 /nfs/dbraw/zinc/13/68/77/485136877.db2.gz NTRQUJVKKSNJCC-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000556017249 485136873 /nfs/dbraw/zinc/13/68/73/485136873.db2.gz NTRQUJVKKSNJCC-CQSZACIVSA-N 2 1 353.511 -0.273 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556064516 485138520 /nfs/dbraw/zinc/13/85/20/485138520.db2.gz FDHROMFLOWQPSC-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556069191 485137948 /nfs/dbraw/zinc/13/79/48/485137948.db2.gz PNOZGAPDJXKKRZ-UHFFFAOYSA-N 2 1 367.494 -0.885 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556078585 485138855 /nfs/dbraw/zinc/13/88/55/485138855.db2.gz WQPQTLHHYKQAGV-UHFFFAOYSA-N 2 1 355.483 -0.935 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000556082933 485138806 /nfs/dbraw/zinc/13/88/06/485138806.db2.gz FVWCYQSWEKTGHH-HNNXBMFYSA-N 2 1 351.451 -0.075 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000556082933 485138803 /nfs/dbraw/zinc/13/88/03/485138803.db2.gz FVWCYQSWEKTGHH-HNNXBMFYSA-N 2 1 351.451 -0.075 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000556082937 485137903 /nfs/dbraw/zinc/13/79/03/485137903.db2.gz FVWCYQSWEKTGHH-OAHLLOKOSA-N 2 1 351.451 -0.075 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000556082937 485137899 /nfs/dbraw/zinc/13/78/99/485137899.db2.gz FVWCYQSWEKTGHH-OAHLLOKOSA-N 2 1 351.451 -0.075 20 0 FBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000556084767 485139852 /nfs/dbraw/zinc/13/98/52/485139852.db2.gz YTSFBABGODJKSR-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000556084767 485139846 /nfs/dbraw/zinc/13/98/46/485139846.db2.gz YTSFBABGODJKSR-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000556084769 485140196 /nfs/dbraw/zinc/14/01/96/485140196.db2.gz YTSFBABGODJKSR-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000556084769 485140189 /nfs/dbraw/zinc/14/01/89/485140189.db2.gz YTSFBABGODJKSR-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000556085363 485140456 /nfs/dbraw/zinc/14/04/56/485140456.db2.gz VQUIFWRGQIIDQK-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556089427 485140522 /nfs/dbraw/zinc/14/05/22/485140522.db2.gz ZYJPDMPDEVKSLL-INIZCTEOSA-N 2 1 374.485 -0.002 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556089427 485140518 /nfs/dbraw/zinc/14/05/18/485140518.db2.gz ZYJPDMPDEVKSLL-INIZCTEOSA-N 2 1 374.485 -0.002 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556089431 485139738 /nfs/dbraw/zinc/13/97/38/485139738.db2.gz ZYJPDMPDEVKSLL-MRXNPFEDSA-N 2 1 374.485 -0.002 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556089431 485139733 /nfs/dbraw/zinc/13/97/33/485139733.db2.gz ZYJPDMPDEVKSLL-MRXNPFEDSA-N 2 1 374.485 -0.002 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556095895 485140064 /nfs/dbraw/zinc/14/00/64/485140064.db2.gz MAOLNARPKKKEBH-UHFFFAOYSA-N 2 1 367.494 -0.789 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556098240 485140158 /nfs/dbraw/zinc/14/01/58/485140158.db2.gz LNHSYCHWURKHPJ-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556098240 485140154 /nfs/dbraw/zinc/14/01/54/485140154.db2.gz LNHSYCHWURKHPJ-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556098241 485139971 /nfs/dbraw/zinc/13/99/71/485139971.db2.gz LNHSYCHWURKHPJ-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556098241 485139966 /nfs/dbraw/zinc/13/99/66/485139966.db2.gz LNHSYCHWURKHPJ-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000556098589 485140301 /nfs/dbraw/zinc/14/03/01/485140301.db2.gz BAACLOSERAQZQL-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000556098589 485140293 /nfs/dbraw/zinc/14/02/93/485140293.db2.gz BAACLOSERAQZQL-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556099987 485140031 /nfs/dbraw/zinc/14/00/31/485140031.db2.gz FIUVOTVNARMCIK-UHFFFAOYSA-N 2 1 369.510 -0.543 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556100605 485141101 /nfs/dbraw/zinc/14/11/01/485141101.db2.gz LFSFYDCQHZQRRZ-UHFFFAOYSA-N 2 1 367.494 -0.933 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556102776 485141583 /nfs/dbraw/zinc/14/15/83/485141583.db2.gz URVQWGTTZALIIZ-UHFFFAOYSA-N 2 1 355.483 -0.933 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556168330 485143775 /nfs/dbraw/zinc/14/37/75/485143775.db2.gz MBZXNWBMMWINRB-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556168330 485143769 /nfs/dbraw/zinc/14/37/69/485143769.db2.gz MBZXNWBMMWINRB-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556168330 485143765 /nfs/dbraw/zinc/14/37/65/485143765.db2.gz MBZXNWBMMWINRB-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000556169381 485143371 /nfs/dbraw/zinc/14/33/71/485143371.db2.gz AMWDNMPWCDQAFC-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000556169382 485143276 /nfs/dbraw/zinc/14/32/76/485143276.db2.gz AMWDNMPWCDQAFC-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556171487 485145094 /nfs/dbraw/zinc/14/50/94/485145094.db2.gz SSBIHVFKNBLNFQ-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556171487 485145091 /nfs/dbraw/zinc/14/50/91/485145091.db2.gz SSBIHVFKNBLNFQ-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556171487 485145085 /nfs/dbraw/zinc/14/50/85/485145085.db2.gz SSBIHVFKNBLNFQ-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556171489 485144843 /nfs/dbraw/zinc/14/48/43/485144843.db2.gz SSBIHVFKNBLNFQ-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556171489 485144842 /nfs/dbraw/zinc/14/48/42/485144842.db2.gz SSBIHVFKNBLNFQ-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556171489 485144839 /nfs/dbraw/zinc/14/48/39/485144839.db2.gz SSBIHVFKNBLNFQ-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556172338 485144813 /nfs/dbraw/zinc/14/48/13/485144813.db2.gz WJEYHFWEIXTYQS-UHFFFAOYSA-N 2 1 367.538 -0.022 20 0 FBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186756 485144743 /nfs/dbraw/zinc/14/47/43/485144743.db2.gz KGZAETKEEAGWFE-UHFFFAOYSA-N 2 1 355.483 -0.839 20 0 FBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556187590 485145747 /nfs/dbraw/zinc/14/57/47/485145747.db2.gz HMMIXWBFEUVZSH-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000556187597 485146497 /nfs/dbraw/zinc/14/64/97/485146497.db2.gz HNVPDYFMONCDRM-UHFFFAOYSA-N 2 1 369.510 -0.452 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)C(C)C ZINC000556187985 485146162 /nfs/dbraw/zinc/14/61/62/485146162.db2.gz VRNOFPLGLZOCMV-UHFFFAOYSA-N 2 1 355.483 -0.841 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)C(C)C ZINC000556187985 485146159 /nfs/dbraw/zinc/14/61/59/485146159.db2.gz VRNOFPLGLZOCMV-UHFFFAOYSA-N 2 1 355.483 -0.841 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000556188061 485146265 /nfs/dbraw/zinc/14/62/65/485146265.db2.gz XOFWNODQTQKHLC-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556240229 485147540 /nfs/dbraw/zinc/14/75/40/485147540.db2.gz IJHHNZFHSVSXCR-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000556270301 485150222 /nfs/dbraw/zinc/15/02/22/485150222.db2.gz BNNCYRDYHYUNDA-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000556270301 485150218 /nfs/dbraw/zinc/15/02/18/485150218.db2.gz BNNCYRDYHYUNDA-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000556270301 485150216 /nfs/dbraw/zinc/15/02/16/485150216.db2.gz BNNCYRDYHYUNDA-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000556270301 485150213 /nfs/dbraw/zinc/15/02/13/485150213.db2.gz BNNCYRDYHYUNDA-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000556270302 485149579 /nfs/dbraw/zinc/14/95/79/485149579.db2.gz BNNCYRDYHYUNDA-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000556270302 485149576 /nfs/dbraw/zinc/14/95/76/485149576.db2.gz BNNCYRDYHYUNDA-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000556270302 485149573 /nfs/dbraw/zinc/14/95/73/485149573.db2.gz BNNCYRDYHYUNDA-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000556270302 485149568 /nfs/dbraw/zinc/14/95/68/485149568.db2.gz BNNCYRDYHYUNDA-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000556273572 485150194 /nfs/dbraw/zinc/15/01/94/485150194.db2.gz ROIRIWYXBLXTKB-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000556273572 485150190 /nfs/dbraw/zinc/15/01/90/485150190.db2.gz ROIRIWYXBLXTKB-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000556273572 485150188 /nfs/dbraw/zinc/15/01/88/485150188.db2.gz ROIRIWYXBLXTKB-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000556273572 485150183 /nfs/dbraw/zinc/15/01/83/485150183.db2.gz ROIRIWYXBLXTKB-HNNXBMFYSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000556273573 485149498 /nfs/dbraw/zinc/14/94/98/485149498.db2.gz ROIRIWYXBLXTKB-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000556273573 485149494 /nfs/dbraw/zinc/14/94/94/485149494.db2.gz ROIRIWYXBLXTKB-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000556273573 485149492 /nfs/dbraw/zinc/14/94/92/485149492.db2.gz ROIRIWYXBLXTKB-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000556273573 485149489 /nfs/dbraw/zinc/14/94/89/485149489.db2.gz ROIRIWYXBLXTKB-OAHLLOKOSA-N 2 1 372.510 -0.626 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000556348730 483592862 /nfs/dbraw/zinc/59/28/62/483592862.db2.gz SYXRUFJSZOXMBW-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000556348731 483592737 /nfs/dbraw/zinc/59/27/37/483592737.db2.gz SYXRUFJSZOXMBW-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556353102 483593891 /nfs/dbraw/zinc/59/38/91/483593891.db2.gz JORMNQBZDDWONO-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556353103 483594384 /nfs/dbraw/zinc/59/43/84/483594384.db2.gz JORMNQBZDDWONO-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556353104 483594325 /nfs/dbraw/zinc/59/43/25/483594325.db2.gz JORMNQBZDDWONO-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556353105 483594497 /nfs/dbraw/zinc/59/44/97/483594497.db2.gz JORMNQBZDDWONO-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000556355619 483593509 /nfs/dbraw/zinc/59/35/09/483593509.db2.gz SQCIJALFOGFWPS-DLBZAZTESA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000556355619 483593504 /nfs/dbraw/zinc/59/35/04/483593504.db2.gz SQCIJALFOGFWPS-DLBZAZTESA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000556355620 483594058 /nfs/dbraw/zinc/59/40/58/483594058.db2.gz SQCIJALFOGFWPS-IAGOWNOFSA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000556355620 483594053 /nfs/dbraw/zinc/59/40/53/483594053.db2.gz SQCIJALFOGFWPS-IAGOWNOFSA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000556355621 483594398 /nfs/dbraw/zinc/59/43/98/483594398.db2.gz SQCIJALFOGFWPS-IRXDYDNUSA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000556355621 483594394 /nfs/dbraw/zinc/59/43/94/483594394.db2.gz SQCIJALFOGFWPS-IRXDYDNUSA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000556355622 483594545 /nfs/dbraw/zinc/59/45/45/483594545.db2.gz SQCIJALFOGFWPS-SJORKVTESA-N 2 1 367.538 -0.215 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000556355622 483594542 /nfs/dbraw/zinc/59/45/42/483594542.db2.gz SQCIJALFOGFWPS-SJORKVTESA-N 2 1 367.538 -0.215 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356622 483595311 /nfs/dbraw/zinc/59/53/11/483595311.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356622 483595307 /nfs/dbraw/zinc/59/53/07/483595307.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356622 483595304 /nfs/dbraw/zinc/59/53/04/483595304.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356623 483595760 /nfs/dbraw/zinc/59/57/60/483595760.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356623 483595755 /nfs/dbraw/zinc/59/57/55/483595755.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356623 483595748 /nfs/dbraw/zinc/59/57/48/483595748.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356624 483595615 /nfs/dbraw/zinc/59/56/15/483595615.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000556356624 483595609 /nfs/dbraw/zinc/59/56/09/483595609.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356624 483595602 /nfs/dbraw/zinc/59/56/02/483595602.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000556356625 483594978 /nfs/dbraw/zinc/59/49/78/483594978.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000556356625 483594973 /nfs/dbraw/zinc/59/49/73/483594973.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000556356625 483594963 /nfs/dbraw/zinc/59/49/63/483594963.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000556357086 483595331 /nfs/dbraw/zinc/59/53/31/483595331.db2.gz ZXQGLMTVEHMVQG-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000556357086 483595328 /nfs/dbraw/zinc/59/53/28/483595328.db2.gz ZXQGLMTVEHMVQG-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000556357086 483595326 /nfs/dbraw/zinc/59/53/26/483595326.db2.gz ZXQGLMTVEHMVQG-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000556357087 483595505 /nfs/dbraw/zinc/59/55/05/483595505.db2.gz ZXQGLMTVEHMVQG-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000556357087 483595500 /nfs/dbraw/zinc/59/55/00/483595500.db2.gz ZXQGLMTVEHMVQG-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000556357087 483595495 /nfs/dbraw/zinc/59/54/95/483595495.db2.gz ZXQGLMTVEHMVQG-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000556357089 483595678 /nfs/dbraw/zinc/59/56/78/483595678.db2.gz ZXQGLMTVEHMVQG-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000556357089 483595673 /nfs/dbraw/zinc/59/56/73/483595673.db2.gz ZXQGLMTVEHMVQG-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000556357089 483595668 /nfs/dbraw/zinc/59/56/68/483595668.db2.gz ZXQGLMTVEHMVQG-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000556357091 483595388 /nfs/dbraw/zinc/59/53/88/483595388.db2.gz ZXQGLMTVEHMVQG-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000556357091 483595386 /nfs/dbraw/zinc/59/53/86/483595386.db2.gz ZXQGLMTVEHMVQG-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000556357091 483595382 /nfs/dbraw/zinc/59/53/82/483595382.db2.gz ZXQGLMTVEHMVQG-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368569 483596967 /nfs/dbraw/zinc/59/69/67/483596967.db2.gz DTDSYBTYPQDLHJ-CVEARBPZSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368570 483596600 /nfs/dbraw/zinc/59/66/00/483596600.db2.gz DTDSYBTYPQDLHJ-HOTGVXAUSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368571 483596579 /nfs/dbraw/zinc/59/65/79/483596579.db2.gz DTDSYBTYPQDLHJ-HZPDHXFCSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368572 483597240 /nfs/dbraw/zinc/59/72/40/483597240.db2.gz DTDSYBTYPQDLHJ-JKSUJKDBSA-N 2 1 355.527 -0.167 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556369249 483596239 /nfs/dbraw/zinc/59/62/39/483596239.db2.gz RMHAVPKFCWZUTC-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556369252 483597219 /nfs/dbraw/zinc/59/72/19/483597219.db2.gz RMHAVPKFCWZUTC-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000556371073 483601286 /nfs/dbraw/zinc/60/12/86/483601286.db2.gz PSHMRMPBYFPHMN-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000556371074 483600714 /nfs/dbraw/zinc/60/07/14/483600714.db2.gz PSHMRMPBYFPHMN-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556371190 483600906 /nfs/dbraw/zinc/60/09/06/483600906.db2.gz SFYYMTDKACMADH-BRWVUGGUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556371192 483601870 /nfs/dbraw/zinc/60/18/70/483601870.db2.gz SFYYMTDKACMADH-IKGGRYGDSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556371193 483601156 /nfs/dbraw/zinc/60/11/56/483601156.db2.gz SFYYMTDKACMADH-IXDOHACOSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000556371195 483601221 /nfs/dbraw/zinc/60/12/21/483601221.db2.gz SFYYMTDKACMADH-ZACQAIPSSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000556371751 483601311 /nfs/dbraw/zinc/60/13/11/483601311.db2.gz SOVKSORTZIGHQD-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000556371753 483601712 /nfs/dbraw/zinc/60/17/12/483601712.db2.gz SOVKSORTZIGHQD-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000556371754 483601117 /nfs/dbraw/zinc/60/11/17/483601117.db2.gz SOVKSORTZIGHQD-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000556371755 483601678 /nfs/dbraw/zinc/60/16/78/483601678.db2.gz SOVKSORTZIGHQD-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556795986 483659175 /nfs/dbraw/zinc/65/91/75/483659175.db2.gz HDQDTVFGDSGDPP-INIZCTEOSA-N 3 1 355.527 -0.262 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556795987 483659347 /nfs/dbraw/zinc/65/93/47/483659347.db2.gz HDQDTVFGDSGDPP-MRXNPFEDSA-N 3 1 355.527 -0.262 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556999795 483666267 /nfs/dbraw/zinc/66/62/67/483666267.db2.gz LIPMPQXIMKYNHE-HNNXBMFYSA-N 2 1 352.479 -0.044 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556999798 483666076 /nfs/dbraw/zinc/66/60/76/483666076.db2.gz LIPMPQXIMKYNHE-OAHLLOKOSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000557015586 483666576 /nfs/dbraw/zinc/66/65/76/483666576.db2.gz KRSJCVAYLUZLTM-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000557015587 483666817 /nfs/dbraw/zinc/66/68/17/483666817.db2.gz KRSJCVAYLUZLTM-CQSZACIVSA-N 2 1 355.483 -0.935 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000557090008 483668072 /nfs/dbraw/zinc/66/80/72/483668072.db2.gz LXVMTGKVSZWIQT-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000557101067 483668540 /nfs/dbraw/zinc/66/85/40/483668540.db2.gz HTZCAWLPUKNQEL-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000557101067 483668538 /nfs/dbraw/zinc/66/85/38/483668538.db2.gz HTZCAWLPUKNQEL-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000557101068 483668858 /nfs/dbraw/zinc/66/88/58/483668858.db2.gz HTZCAWLPUKNQEL-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000557101068 483668856 /nfs/dbraw/zinc/66/88/56/483668856.db2.gz HTZCAWLPUKNQEL-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140081 483669828 /nfs/dbraw/zinc/66/98/28/483669828.db2.gz ZYOFXVTWZLTDJU-CABCVRRESA-N 2 1 354.499 -0.787 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140087 483669725 /nfs/dbraw/zinc/66/97/25/483669725.db2.gz ZYOFXVTWZLTDJU-GJZGRUSLSA-N 2 1 354.499 -0.787 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140088 483669802 /nfs/dbraw/zinc/66/98/02/483669802.db2.gz ZYOFXVTWZLTDJU-HUUCEWRRSA-N 2 1 354.499 -0.787 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140090 483670115 /nfs/dbraw/zinc/67/01/15/483670115.db2.gz ZYOFXVTWZLTDJU-LSDHHAIUSA-N 2 1 354.499 -0.787 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000557169358 483670108 /nfs/dbraw/zinc/67/01/08/483670108.db2.gz MSCKPEKNHKXZGF-CVEARBPZSA-N 2 1 362.478 -0.039 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000557169364 483670085 /nfs/dbraw/zinc/67/00/85/483670085.db2.gz MSCKPEKNHKXZGF-HOTGVXAUSA-N 2 1 362.478 -0.039 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000557169367 483670174 /nfs/dbraw/zinc/67/01/74/483670174.db2.gz MSCKPEKNHKXZGF-HZPDHXFCSA-N 2 1 362.478 -0.039 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000557169370 483670136 /nfs/dbraw/zinc/67/01/36/483670136.db2.gz MSCKPEKNHKXZGF-JKSUJKDBSA-N 2 1 362.478 -0.039 20 0 FBADMP CC[N@@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)CCC(F)(F)F ZINC000557205478 483671488 /nfs/dbraw/zinc/67/14/88/483671488.db2.gz VYSZLWDDVJMZEW-UHFFFAOYSA-N 2 1 353.389 -0.008 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245660 483673845 /nfs/dbraw/zinc/67/38/45/483673845.db2.gz XIAJBKUWTFCJFM-UXLLHSPISA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245668 483674039 /nfs/dbraw/zinc/67/40/39/483674039.db2.gz XIAJBKUWTFCJFM-YQQAZPJKSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245670 483673991 /nfs/dbraw/zinc/67/39/91/483673991.db2.gz XIAJBKUWTFCJFM-ZMSDIMECSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245672 483673410 /nfs/dbraw/zinc/67/34/10/483673410.db2.gz XIAJBKUWTFCJFM-ZOBUZTSGSA-N 2 1 365.522 -0.143 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557245963 483673635 /nfs/dbraw/zinc/67/36/35/483673635.db2.gz IKHVKTDTZATWFX-HNNXBMFYSA-N 2 1 351.451 -0.123 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557245969 483674242 /nfs/dbraw/zinc/67/42/42/483674242.db2.gz IKHVKTDTZATWFX-OAHLLOKOSA-N 2 1 351.451 -0.123 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000557249616 483672773 /nfs/dbraw/zinc/67/27/73/483672773.db2.gz NYWPIBRHUIHBGQ-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000557249616 483672768 /nfs/dbraw/zinc/67/27/68/483672768.db2.gz NYWPIBRHUIHBGQ-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000557249623 483673233 /nfs/dbraw/zinc/67/32/33/483673233.db2.gz NYWPIBRHUIHBGQ-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000557249623 483673231 /nfs/dbraw/zinc/67/32/31/483673231.db2.gz NYWPIBRHUIHBGQ-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000557249624 483672695 /nfs/dbraw/zinc/67/26/95/483672695.db2.gz NYWPIBRHUIHBGQ-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000557249624 483672691 /nfs/dbraw/zinc/67/26/91/483672691.db2.gz NYWPIBRHUIHBGQ-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000557249625 483673143 /nfs/dbraw/zinc/67/31/43/483673143.db2.gz NYWPIBRHUIHBGQ-YCPHGPKFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000557249625 483673141 /nfs/dbraw/zinc/67/31/41/483673141.db2.gz NYWPIBRHUIHBGQ-YCPHGPKFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249733 483672726 /nfs/dbraw/zinc/67/27/26/483672726.db2.gz QYHFUVULCXKZNU-CABCVRRESA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249733 483672721 /nfs/dbraw/zinc/67/27/21/483672721.db2.gz QYHFUVULCXKZNU-CABCVRRESA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249739 483673117 /nfs/dbraw/zinc/67/31/17/483673117.db2.gz QYHFUVULCXKZNU-GJZGRUSLSA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249739 483673116 /nfs/dbraw/zinc/67/31/16/483673116.db2.gz QYHFUVULCXKZNU-GJZGRUSLSA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249742 483672537 /nfs/dbraw/zinc/67/25/37/483672537.db2.gz QYHFUVULCXKZNU-HUUCEWRRSA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000557249742 483672532 /nfs/dbraw/zinc/67/25/32/483672532.db2.gz QYHFUVULCXKZNU-HUUCEWRRSA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000557249745 483672889 /nfs/dbraw/zinc/67/28/89/483672889.db2.gz QYHFUVULCXKZNU-LSDHHAIUSA-N 2 1 352.479 -0.163 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000557249745 483672887 /nfs/dbraw/zinc/67/28/87/483672887.db2.gz QYHFUVULCXKZNU-LSDHHAIUSA-N 2 1 352.479 -0.163 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCn3cc[nH+]c3C)C2)CC1 ZINC000557249978 483673211 /nfs/dbraw/zinc/67/32/11/483673211.db2.gz QJLVRHXHLOFNKK-INIZCTEOSA-N 2 1 362.478 -0.454 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCn3cc[nH+]c3C)C2)CC1 ZINC000557249988 483672903 /nfs/dbraw/zinc/67/29/03/483672903.db2.gz QJLVRHXHLOFNKK-MRXNPFEDSA-N 2 1 362.478 -0.454 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000557251106 483673537 /nfs/dbraw/zinc/67/35/37/483673537.db2.gz VVBCXASOQLUVSB-UHFFFAOYSA-N 2 1 351.451 -0.123 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000557252775 483673658 /nfs/dbraw/zinc/67/36/58/483673658.db2.gz RKBMQYQHCZCYNF-UHFFFAOYSA-N 2 1 369.510 -0.543 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000557252775 483673656 /nfs/dbraw/zinc/67/36/56/483673656.db2.gz RKBMQYQHCZCYNF-UHFFFAOYSA-N 2 1 369.510 -0.543 20 0 FBADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000557253295 483673105 /nfs/dbraw/zinc/67/31/05/483673105.db2.gz AVMHEMNVNJYSHU-LSDHHAIUSA-N 2 1 371.507 -0.997 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557257604 483673548 /nfs/dbraw/zinc/67/35/48/483673548.db2.gz HAKVEMCMRVQBGY-AWEZNQCLSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557257605 483673978 /nfs/dbraw/zinc/67/39/78/483673978.db2.gz HAKVEMCMRVQBGY-CQSZACIVSA-N 2 1 367.494 -0.710 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000557258007 483674726 /nfs/dbraw/zinc/67/47/26/483674726.db2.gz AIYJUGMBHWDSNT-KBPBESRZSA-N 2 1 355.483 -0.854 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000557258008 483674994 /nfs/dbraw/zinc/67/49/94/483674994.db2.gz AIYJUGMBHWDSNT-KGLIPLIRSA-N 2 1 355.483 -0.854 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557258009 483675003 /nfs/dbraw/zinc/67/50/03/483675003.db2.gz AIYJUGMBHWDSNT-UONOGXRCSA-N 2 1 355.483 -0.854 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557258011 483674956 /nfs/dbraw/zinc/67/49/56/483674956.db2.gz AIYJUGMBHWDSNT-ZIAGYGMSSA-N 2 1 355.483 -0.854 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557258394 483674904 /nfs/dbraw/zinc/67/49/04/483674904.db2.gz AGUXWOPOUAMVQX-KBPBESRZSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557258394 483674900 /nfs/dbraw/zinc/67/49/00/483674900.db2.gz AGUXWOPOUAMVQX-KBPBESRZSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258394 483674897 /nfs/dbraw/zinc/67/48/97/483674897.db2.gz AGUXWOPOUAMVQX-KBPBESRZSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557258409 483674583 /nfs/dbraw/zinc/67/45/83/483674583.db2.gz AGUXWOPOUAMVQX-KGLIPLIRSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557258409 483674579 /nfs/dbraw/zinc/67/45/79/483674579.db2.gz AGUXWOPOUAMVQX-KGLIPLIRSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258409 483674577 /nfs/dbraw/zinc/67/45/77/483674577.db2.gz AGUXWOPOUAMVQX-KGLIPLIRSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557258411 483675026 /nfs/dbraw/zinc/67/50/26/483675026.db2.gz AGUXWOPOUAMVQX-UONOGXRCSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557258411 483675023 /nfs/dbraw/zinc/67/50/23/483675023.db2.gz AGUXWOPOUAMVQX-UONOGXRCSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258411 483675019 /nfs/dbraw/zinc/67/50/19/483675019.db2.gz AGUXWOPOUAMVQX-UONOGXRCSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557258413 483675045 /nfs/dbraw/zinc/67/50/45/483675045.db2.gz AGUXWOPOUAMVQX-ZIAGYGMSSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557258413 483675042 /nfs/dbraw/zinc/67/50/42/483675042.db2.gz AGUXWOPOUAMVQX-ZIAGYGMSSA-N 2 1 365.478 -0.957 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258413 483675040 /nfs/dbraw/zinc/67/50/40/483675040.db2.gz AGUXWOPOUAMVQX-ZIAGYGMSSA-N 2 1 365.478 -0.957 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000557262411 483675124 /nfs/dbraw/zinc/67/51/24/483675124.db2.gz IRMVBAFKHRHFOQ-GFCCVEGCSA-N 2 1 367.416 -0.522 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000557262411 483675122 /nfs/dbraw/zinc/67/51/22/483675122.db2.gz IRMVBAFKHRHFOQ-GFCCVEGCSA-N 2 1 367.416 -0.522 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000557262426 483674566 /nfs/dbraw/zinc/67/45/66/483674566.db2.gz IRMVBAFKHRHFOQ-LBPRGKRZSA-N 2 1 367.416 -0.522 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000557262426 483674564 /nfs/dbraw/zinc/67/45/64/483674564.db2.gz IRMVBAFKHRHFOQ-LBPRGKRZSA-N 2 1 367.416 -0.522 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000557263557 483674867 /nfs/dbraw/zinc/67/48/67/483674867.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC000557263557 483674866 /nfs/dbraw/zinc/67/48/66/483674866.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263557 483674863 /nfs/dbraw/zinc/67/48/63/483674863.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000557263561 483674546 /nfs/dbraw/zinc/67/45/46/483674546.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC000557263561 483674544 /nfs/dbraw/zinc/67/45/44/483674544.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263561 483674541 /nfs/dbraw/zinc/67/45/41/483674541.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000557263562 483674883 /nfs/dbraw/zinc/67/48/83/483674883.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC000557263562 483674880 /nfs/dbraw/zinc/67/48/80/483674880.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263562 483674878 /nfs/dbraw/zinc/67/48/78/483674878.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000557263565 483674758 /nfs/dbraw/zinc/67/47/58/483674758.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC000557263565 483674754 /nfs/dbraw/zinc/67/47/54/483674754.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 2 1 367.494 -0.711 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263565 483674752 /nfs/dbraw/zinc/67/47/52/483674752.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 2 1 367.494 -0.711 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000557268901 483674438 /nfs/dbraw/zinc/67/44/38/483674438.db2.gz SGGRFPBUOAKKBL-HNNXBMFYSA-N 2 1 369.510 -0.511 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557268902 483674526 /nfs/dbraw/zinc/67/45/26/483674526.db2.gz SGGRFPBUOAKKBL-OAHLLOKOSA-N 2 1 369.510 -0.511 20 0 FBADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000557297813 483676826 /nfs/dbraw/zinc/67/68/26/483676826.db2.gz NTEPGPNHMSBULC-UHFFFAOYSA-N 2 1 352.357 -0.812 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000557310478 483677524 /nfs/dbraw/zinc/67/75/24/483677524.db2.gz MHRREPTVRLCONU-UHFFFAOYSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)C1CC1 ZINC000557379360 483678879 /nfs/dbraw/zinc/67/88/79/483678879.db2.gz CWJDXAOVCZNTKD-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)C1CC1 ZINC000557379361 483678918 /nfs/dbraw/zinc/67/89/18/483678918.db2.gz CWJDXAOVCZNTKD-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C1CC1 ZINC000557380025 483679070 /nfs/dbraw/zinc/67/90/70/483679070.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C1CC1 ZINC000557380025 483679067 /nfs/dbraw/zinc/67/90/67/483679067.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000557380025 483679065 /nfs/dbraw/zinc/67/90/65/483679065.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000557381070 483678541 /nfs/dbraw/zinc/67/85/41/483678541.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557381070 483678539 /nfs/dbraw/zinc/67/85/39/483678539.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000557381070 483678536 /nfs/dbraw/zinc/67/85/36/483678536.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000557381075 483678515 /nfs/dbraw/zinc/67/85/15/483678515.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557381075 483678511 /nfs/dbraw/zinc/67/85/11/483678511.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000557381075 483678509 /nfs/dbraw/zinc/67/85/09/483678509.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC1 ZINC000557381130 483678816 /nfs/dbraw/zinc/67/88/16/483678816.db2.gz QAUFFPCPMQZASI-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC1 ZINC000557381130 483678813 /nfs/dbraw/zinc/67/88/13/483678813.db2.gz QAUFFPCPMQZASI-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1CC1 ZINC000557381130 483678810 /nfs/dbraw/zinc/67/88/10/483678810.db2.gz QAUFFPCPMQZASI-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1CC1 ZINC000557381130 483678807 /nfs/dbraw/zinc/67/88/07/483678807.db2.gz QAUFFPCPMQZASI-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC1 ZINC000557381139 483679474 /nfs/dbraw/zinc/67/94/74/483679474.db2.gz QAUFFPCPMQZASI-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC1 ZINC000557381139 483679472 /nfs/dbraw/zinc/67/94/72/483679472.db2.gz QAUFFPCPMQZASI-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1CC1 ZINC000557381139 483679471 /nfs/dbraw/zinc/67/94/71/483679471.db2.gz QAUFFPCPMQZASI-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1CC1 ZINC000557381139 483679470 /nfs/dbraw/zinc/67/94/70/483679470.db2.gz QAUFFPCPMQZASI-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC1 ZINC000557381358 483679453 /nfs/dbraw/zinc/67/94/53/483679453.db2.gz OKNDXXUOFAIPMH-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC1 ZINC000557381358 483679452 /nfs/dbraw/zinc/67/94/52/483679452.db2.gz OKNDXXUOFAIPMH-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC1 ZINC000557381777 483679427 /nfs/dbraw/zinc/67/94/27/483679427.db2.gz YKVRXGNZSABMOS-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC1 ZINC000557381777 483679425 /nfs/dbraw/zinc/67/94/25/483679425.db2.gz YKVRXGNZSABMOS-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1CC1 ZINC000557381777 483679423 /nfs/dbraw/zinc/67/94/23/483679423.db2.gz YKVRXGNZSABMOS-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1CC1 ZINC000557381777 483679419 /nfs/dbraw/zinc/67/94/19/483679419.db2.gz YKVRXGNZSABMOS-AWEZNQCLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CC1 ZINC000557381779 483679212 /nfs/dbraw/zinc/67/92/12/483679212.db2.gz YKVRXGNZSABMOS-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1CC1 ZINC000557381779 483679208 /nfs/dbraw/zinc/67/92/08/483679208.db2.gz YKVRXGNZSABMOS-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1CC1 ZINC000557381779 483679203 /nfs/dbraw/zinc/67/92/03/483679203.db2.gz YKVRXGNZSABMOS-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1CC1 ZINC000557381779 483679200 /nfs/dbraw/zinc/67/92/00/483679200.db2.gz YKVRXGNZSABMOS-CQSZACIVSA-N 2 1 354.495 -0.110 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000557491247 483681966 /nfs/dbraw/zinc/68/19/66/483681966.db2.gz CMEKLTUHMHLVKO-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000557491247 483681963 /nfs/dbraw/zinc/68/19/63/483681963.db2.gz CMEKLTUHMHLVKO-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000557491247 483681959 /nfs/dbraw/zinc/68/19/59/483681959.db2.gz CMEKLTUHMHLVKO-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000557491251 483682057 /nfs/dbraw/zinc/68/20/57/483682057.db2.gz CMEKLTUHMHLVKO-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000557491251 483682056 /nfs/dbraw/zinc/68/20/56/483682056.db2.gz CMEKLTUHMHLVKO-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000557491251 483682054 /nfs/dbraw/zinc/68/20/54/483682054.db2.gz CMEKLTUHMHLVKO-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000557491253 483682018 /nfs/dbraw/zinc/68/20/18/483682018.db2.gz CMEKLTUHMHLVKO-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000557491253 483682014 /nfs/dbraw/zinc/68/20/14/483682014.db2.gz CMEKLTUHMHLVKO-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000557491253 483682012 /nfs/dbraw/zinc/68/20/12/483682012.db2.gz CMEKLTUHMHLVKO-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000557491255 483681858 /nfs/dbraw/zinc/68/18/58/483681858.db2.gz CMEKLTUHMHLVKO-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000557491255 483681855 /nfs/dbraw/zinc/68/18/55/483681855.db2.gz CMEKLTUHMHLVKO-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000557491255 483681853 /nfs/dbraw/zinc/68/18/53/483681853.db2.gz CMEKLTUHMHLVKO-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000557492080 483681907 /nfs/dbraw/zinc/68/19/07/483681907.db2.gz YFQDGEZRGQBGLS-INIZCTEOSA-N 2 1 370.494 -0.560 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000557492081 483681903 /nfs/dbraw/zinc/68/19/03/483681903.db2.gz YFQDGEZRGQBGLS-MRXNPFEDSA-N 2 1 370.494 -0.560 20 0 FBADMP CC(C)Nc1nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493285 483681999 /nfs/dbraw/zinc/68/19/99/483681999.db2.gz MAYZVMJPNNXWQR-KBPBESRZSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493285 483681997 /nfs/dbraw/zinc/68/19/97/483681997.db2.gz MAYZVMJPNNXWQR-KBPBESRZSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493286 483682217 /nfs/dbraw/zinc/68/22/17/483682217.db2.gz MAYZVMJPNNXWQR-KGLIPLIRSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493286 483682214 /nfs/dbraw/zinc/68/22/14/483682214.db2.gz MAYZVMJPNNXWQR-KGLIPLIRSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493287 483681847 /nfs/dbraw/zinc/68/18/47/483681847.db2.gz MAYZVMJPNNXWQR-UONOGXRCSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493287 483681845 /nfs/dbraw/zinc/68/18/45/483681845.db2.gz MAYZVMJPNNXWQR-UONOGXRCSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493288 483682946 /nfs/dbraw/zinc/68/29/46/483682946.db2.gz MAYZVMJPNNXWQR-ZIAGYGMSSA-N 2 1 351.499 -0.106 20 0 FBADMP CC(C)Nc1nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000557493288 483682942 /nfs/dbraw/zinc/68/29/42/483682942.db2.gz MAYZVMJPNNXWQR-ZIAGYGMSSA-N 2 1 351.499 -0.106 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557493672 483682987 /nfs/dbraw/zinc/68/29/87/483682987.db2.gz RYXAQNVTOUBPDZ-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557493672 483682983 /nfs/dbraw/zinc/68/29/83/483682983.db2.gz RYXAQNVTOUBPDZ-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557493673 483682489 /nfs/dbraw/zinc/68/24/89/483682489.db2.gz RYXAQNVTOUBPDZ-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000557493673 483682487 /nfs/dbraw/zinc/68/24/87/483682487.db2.gz RYXAQNVTOUBPDZ-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000557494769 483682547 /nfs/dbraw/zinc/68/25/47/483682547.db2.gz LDGMSZXMGGYRCZ-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000557494769 483682544 /nfs/dbraw/zinc/68/25/44/483682544.db2.gz LDGMSZXMGGYRCZ-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000557494769 483682541 /nfs/dbraw/zinc/68/25/41/483682541.db2.gz LDGMSZXMGGYRCZ-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000557494770 483682847 /nfs/dbraw/zinc/68/28/47/483682847.db2.gz LDGMSZXMGGYRCZ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000557494770 483682845 /nfs/dbraw/zinc/68/28/45/483682845.db2.gz LDGMSZXMGGYRCZ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000557494770 483682844 /nfs/dbraw/zinc/68/28/44/483682844.db2.gz LDGMSZXMGGYRCZ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000557494771 483682865 /nfs/dbraw/zinc/68/28/65/483682865.db2.gz LDGMSZXMGGYRCZ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000557494771 483682864 /nfs/dbraw/zinc/68/28/64/483682864.db2.gz LDGMSZXMGGYRCZ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000557494771 483682862 /nfs/dbraw/zinc/68/28/62/483682862.db2.gz LDGMSZXMGGYRCZ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000557494772 483682882 /nfs/dbraw/zinc/68/28/82/483682882.db2.gz LDGMSZXMGGYRCZ-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000557494772 483682879 /nfs/dbraw/zinc/68/28/79/483682879.db2.gz LDGMSZXMGGYRCZ-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000557494772 483682877 /nfs/dbraw/zinc/68/28/77/483682877.db2.gz LDGMSZXMGGYRCZ-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000557496397 483681922 /nfs/dbraw/zinc/68/19/22/483681922.db2.gz BGIABSFEKYVMSD-UHFFFAOYSA-N 2 1 372.535 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000557558755 483685314 /nfs/dbraw/zinc/68/53/14/483685314.db2.gz YCUULEAIDKEGIE-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000557558755 483685312 /nfs/dbraw/zinc/68/53/12/483685312.db2.gz YCUULEAIDKEGIE-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000557558755 483685310 /nfs/dbraw/zinc/68/53/10/483685310.db2.gz YCUULEAIDKEGIE-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000557558755 483685308 /nfs/dbraw/zinc/68/53/08/483685308.db2.gz YCUULEAIDKEGIE-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000557558756 483684837 /nfs/dbraw/zinc/68/48/37/483684837.db2.gz YCUULEAIDKEGIE-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000557558756 483684836 /nfs/dbraw/zinc/68/48/36/483684836.db2.gz YCUULEAIDKEGIE-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000557558756 483684834 /nfs/dbraw/zinc/68/48/34/483684834.db2.gz YCUULEAIDKEGIE-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000557558756 483684832 /nfs/dbraw/zinc/68/48/32/483684832.db2.gz YCUULEAIDKEGIE-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000557558757 483684944 /nfs/dbraw/zinc/68/49/44/483684944.db2.gz YCUULEAIDKEGIE-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000557558757 483684942 /nfs/dbraw/zinc/68/49/42/483684942.db2.gz YCUULEAIDKEGIE-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000557558757 483684941 /nfs/dbraw/zinc/68/49/41/483684941.db2.gz YCUULEAIDKEGIE-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000557558757 483684938 /nfs/dbraw/zinc/68/49/38/483684938.db2.gz YCUULEAIDKEGIE-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000557558758 483684970 /nfs/dbraw/zinc/68/49/70/483684970.db2.gz YCUULEAIDKEGIE-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000557558758 483684968 /nfs/dbraw/zinc/68/49/68/483684968.db2.gz YCUULEAIDKEGIE-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000557558758 483684965 /nfs/dbraw/zinc/68/49/65/483684965.db2.gz YCUULEAIDKEGIE-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000557558758 483684962 /nfs/dbraw/zinc/68/49/62/483684962.db2.gz YCUULEAIDKEGIE-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557561350 483685422 /nfs/dbraw/zinc/68/54/22/483685422.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557561350 483685419 /nfs/dbraw/zinc/68/54/19/483685419.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557561350 483685416 /nfs/dbraw/zinc/68/54/16/483685416.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557561351 483685356 /nfs/dbraw/zinc/68/53/56/483685356.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557561351 483685353 /nfs/dbraw/zinc/68/53/53/483685353.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557561351 483685349 /nfs/dbraw/zinc/68/53/49/483685349.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1CN(c2cncc(N3CC[N@@H+](CCO)[C@@H](C)C3)n2)CC[NH+]1CCO ZINC000557657775 483687175 /nfs/dbraw/zinc/68/71/75/483687175.db2.gz RLXOTAHUOWXLCB-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(c2cncc(N3CC[N@@H+](CCO)[C@H](C)C3)n2)CC[NH+]1CCO ZINC000557657780 483687646 /nfs/dbraw/zinc/68/76/46/483687646.db2.gz RLXOTAHUOWXLCB-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000557766676 483691330 /nfs/dbraw/zinc/69/13/30/483691330.db2.gz HXUNOKDEIFDFHP-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000557766677 483691241 /nfs/dbraw/zinc/69/12/41/483691241.db2.gz HXUNOKDEIFDFHP-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000557766678 483691348 /nfs/dbraw/zinc/69/13/48/483691348.db2.gz HXUNOKDEIFDFHP-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000557766679 483691293 /nfs/dbraw/zinc/69/12/93/483691293.db2.gz HXUNOKDEIFDFHP-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000557959041 483697724 /nfs/dbraw/zinc/69/77/24/483697724.db2.gz AHAZIIINOVOLFQ-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000558001075 483697836 /nfs/dbraw/zinc/69/78/36/483697836.db2.gz AWQWBPZBJFPPFQ-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000558001081 483698063 /nfs/dbraw/zinc/69/80/63/483698063.db2.gz AWQWBPZBJFPPFQ-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558019588 483698533 /nfs/dbraw/zinc/69/85/33/483698533.db2.gz FJZHFTNJSRVNHK-UHFFFAOYSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558020853 483698741 /nfs/dbraw/zinc/69/87/41/483698741.db2.gz PKRIVFHQMWYEQN-CQSZACIVSA-N 2 1 369.510 -0.498 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060015 483700946 /nfs/dbraw/zinc/70/09/46/483700946.db2.gz JDTROTBVNLHOAE-GXTWGEPZSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060015 483700943 /nfs/dbraw/zinc/70/09/43/483700943.db2.gz JDTROTBVNLHOAE-GXTWGEPZSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060017 483700825 /nfs/dbraw/zinc/70/08/25/483700825.db2.gz JDTROTBVNLHOAE-JSGCOSHPSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060017 483700822 /nfs/dbraw/zinc/70/08/22/483700822.db2.gz JDTROTBVNLHOAE-JSGCOSHPSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060019 483701106 /nfs/dbraw/zinc/70/11/06/483701106.db2.gz JDTROTBVNLHOAE-OCCSQVGLSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060019 483701103 /nfs/dbraw/zinc/70/11/03/483701103.db2.gz JDTROTBVNLHOAE-OCCSQVGLSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060021 483700776 /nfs/dbraw/zinc/70/07/76/483700776.db2.gz JDTROTBVNLHOAE-TZMCWYRMSA-N 2 1 350.467 -0.099 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060021 483700772 /nfs/dbraw/zinc/70/07/72/483700772.db2.gz JDTROTBVNLHOAE-TZMCWYRMSA-N 2 1 350.467 -0.099 20 0 FBADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000558207099 483705916 /nfs/dbraw/zinc/70/59/16/483705916.db2.gz IDPALNVTXMAVHX-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000558207101 483705975 /nfs/dbraw/zinc/70/59/75/483705975.db2.gz IDPALNVTXMAVHX-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC000558215624 483706520 /nfs/dbraw/zinc/70/65/20/483706520.db2.gz AJNCGPZLQVKMNX-HRCADAONSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1C ZINC000558215624 483706517 /nfs/dbraw/zinc/70/65/17/483706517.db2.gz AJNCGPZLQVKMNX-HRCADAONSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000558215624 483706515 /nfs/dbraw/zinc/70/65/15/483706515.db2.gz AJNCGPZLQVKMNX-HRCADAONSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC000558215627 483706266 /nfs/dbraw/zinc/70/62/66/483706266.db2.gz AJNCGPZLQVKMNX-JYJNAYRXSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H]1C ZINC000558215627 483706263 /nfs/dbraw/zinc/70/62/63/483706263.db2.gz AJNCGPZLQVKMNX-JYJNAYRXSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000558215627 483706260 /nfs/dbraw/zinc/70/62/60/483706260.db2.gz AJNCGPZLQVKMNX-JYJNAYRXSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1C ZINC000558215629 483706696 /nfs/dbraw/zinc/70/66/96/483706696.db2.gz AJNCGPZLQVKMNX-OWCLPIDISA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1C ZINC000558215629 483706693 /nfs/dbraw/zinc/70/66/93/483706693.db2.gz AJNCGPZLQVKMNX-OWCLPIDISA-N 2 1 353.511 -0.320 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000558215629 483706690 /nfs/dbraw/zinc/70/66/90/483706690.db2.gz AJNCGPZLQVKMNX-OWCLPIDISA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1C ZINC000558215632 483706299 /nfs/dbraw/zinc/70/62/99/483706299.db2.gz AJNCGPZLQVKMNX-PMPSAXMXSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1C ZINC000558215632 483706297 /nfs/dbraw/zinc/70/62/97/483706297.db2.gz AJNCGPZLQVKMNX-PMPSAXMXSA-N 2 1 353.511 -0.320 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000558215632 483706294 /nfs/dbraw/zinc/70/62/94/483706294.db2.gz AJNCGPZLQVKMNX-PMPSAXMXSA-N 2 1 353.511 -0.320 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000558218221 483707482 /nfs/dbraw/zinc/70/74/82/483707482.db2.gz MWYYYJBKQQBWET-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000558218221 483707478 /nfs/dbraw/zinc/70/74/78/483707478.db2.gz MWYYYJBKQQBWET-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000558218221 483707477 /nfs/dbraw/zinc/70/74/77/483707477.db2.gz MWYYYJBKQQBWET-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000558218224 483707437 /nfs/dbraw/zinc/70/74/37/483707437.db2.gz MWYYYJBKQQBWET-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000558218224 483707434 /nfs/dbraw/zinc/70/74/34/483707434.db2.gz MWYYYJBKQQBWET-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000558218224 483707431 /nfs/dbraw/zinc/70/74/31/483707431.db2.gz MWYYYJBKQQBWET-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000558218225 483707182 /nfs/dbraw/zinc/70/71/82/483707182.db2.gz MWYYYJBKQQBWET-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000558218225 483707179 /nfs/dbraw/zinc/70/71/79/483707179.db2.gz MWYYYJBKQQBWET-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000558218225 483707175 /nfs/dbraw/zinc/70/71/75/483707175.db2.gz MWYYYJBKQQBWET-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000558218226 483707103 /nfs/dbraw/zinc/70/71/03/483707103.db2.gz MWYYYJBKQQBWET-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000558218226 483707100 /nfs/dbraw/zinc/70/71/00/483707100.db2.gz MWYYYJBKQQBWET-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000558218226 483707097 /nfs/dbraw/zinc/70/70/97/483707097.db2.gz MWYYYJBKQQBWET-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000558218638 483707624 /nfs/dbraw/zinc/70/76/24/483707624.db2.gz UCLHFDKYGKYUCI-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000558218639 483707613 /nfs/dbraw/zinc/70/76/13/483707613.db2.gz UCLHFDKYGKYUCI-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458446 657407352 /nfs/dbraw/zinc/40/73/52/657407352.db2.gz NPLOGNFIBXKAFJ-RDJZCZTQSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458448 657407599 /nfs/dbraw/zinc/40/75/99/657407599.db2.gz NPLOGNFIBXKAFJ-WBVHZDCISA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000559280090 483768558 /nfs/dbraw/zinc/76/85/58/483768558.db2.gz FIAHDFHHNDIHNA-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000559280090 483768556 /nfs/dbraw/zinc/76/85/56/483768556.db2.gz FIAHDFHHNDIHNA-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000559280092 483768577 /nfs/dbraw/zinc/76/85/77/483768577.db2.gz FIAHDFHHNDIHNA-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000559280092 483768574 /nfs/dbraw/zinc/76/85/74/483768574.db2.gz FIAHDFHHNDIHNA-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)CN1CC[NH+](C)CC1 ZINC000559285715 483769231 /nfs/dbraw/zinc/76/92/31/483769231.db2.gz WSNAQPUSAXQFLT-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)CN1CC[NH+](C)CC1 ZINC000559285715 483769229 /nfs/dbraw/zinc/76/92/29/483769229.db2.gz WSNAQPUSAXQFLT-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCN(C)CC1 ZINC000559285715 483769226 /nfs/dbraw/zinc/76/92/26/483769226.db2.gz WSNAQPUSAXQFLT-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)CN1CC[NH+](C)CC1 ZINC000559285724 483769290 /nfs/dbraw/zinc/76/92/90/483769290.db2.gz WSNAQPUSAXQFLT-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)CN1CC[NH+](C)CC1 ZINC000559285724 483769287 /nfs/dbraw/zinc/76/92/87/483769287.db2.gz WSNAQPUSAXQFLT-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCN(C)CC1 ZINC000559285724 483769284 /nfs/dbraw/zinc/76/92/84/483769284.db2.gz WSNAQPUSAXQFLT-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559330026 483772454 /nfs/dbraw/zinc/77/24/54/483772454.db2.gz MLCKVNVHYLPRML-UHFFFAOYSA-N 2 1 352.479 -0.185 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331279 483772093 /nfs/dbraw/zinc/77/20/93/483772093.db2.gz KMOKVIDFSJSRLI-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331279 483772090 /nfs/dbraw/zinc/77/20/90/483772090.db2.gz KMOKVIDFSJSRLI-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331282 483771987 /nfs/dbraw/zinc/77/19/87/483771987.db2.gz KMOKVIDFSJSRLI-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331282 483771985 /nfs/dbraw/zinc/77/19/85/483771985.db2.gz KMOKVIDFSJSRLI-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331283 483772127 /nfs/dbraw/zinc/77/21/27/483772127.db2.gz KMOKVIDFSJSRLI-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331283 483772123 /nfs/dbraw/zinc/77/21/23/483772123.db2.gz KMOKVIDFSJSRLI-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331284 483772038 /nfs/dbraw/zinc/77/20/38/483772038.db2.gz KMOKVIDFSJSRLI-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331284 483772035 /nfs/dbraw/zinc/77/20/35/483772035.db2.gz KMOKVIDFSJSRLI-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000559333080 483772378 /nfs/dbraw/zinc/77/23/78/483772378.db2.gz SBXUXZXNJHFQJN-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000559333084 483771843 /nfs/dbraw/zinc/77/18/43/483771843.db2.gz SBXUXZXNJHFQJN-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559333250 483772428 /nfs/dbraw/zinc/77/24/28/483772428.db2.gz VNSSQHNOXXVUET-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000559354048 483792318 /nfs/dbraw/zinc/79/23/18/483792318.db2.gz VUWMLTRUIHCQLD-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000559354048 483792316 /nfs/dbraw/zinc/79/23/16/483792316.db2.gz VUWMLTRUIHCQLD-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000559359590 483800227 /nfs/dbraw/zinc/80/02/27/483800227.db2.gz KZVFIBISLHPTNX-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000559359600 483800151 /nfs/dbraw/zinc/80/01/51/483800151.db2.gz KZVFIBISLHPTNX-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000559389575 483829807 /nfs/dbraw/zinc/82/98/07/483829807.db2.gz XWDWCDHSEVBXIL-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000559389576 483829823 /nfs/dbraw/zinc/82/98/23/483829823.db2.gz XWDWCDHSEVBXIL-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000559398803 483841258 /nfs/dbraw/zinc/84/12/58/483841258.db2.gz XZZCQPHRDIYVEJ-UHFFFAOYSA-N 2 1 367.494 -0.743 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000559455195 483842778 /nfs/dbraw/zinc/84/27/78/483842778.db2.gz LGKBCHWAAHSOMW-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000559455198 483842986 /nfs/dbraw/zinc/84/29/86/483842986.db2.gz LGKBCHWAAHSOMW-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000559462436 483843344 /nfs/dbraw/zinc/84/33/44/483843344.db2.gz DCSJZNWMOXUQLN-UHFFFAOYSA-N 2 1 367.494 -0.741 20 0 FBADMP O=C1C[C@]2(CC[NH+](CCOCC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547789 483846981 /nfs/dbraw/zinc/84/69/81/483846981.db2.gz BDOBPFMYVXFMPK-HDICACEKSA-N 2 1 350.463 -0.573 20 0 FBADMP O=C1C[C@]2(CC[NH+](CCOCC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547789 483846980 /nfs/dbraw/zinc/84/69/80/483846980.db2.gz BDOBPFMYVXFMPK-HDICACEKSA-N 2 1 350.463 -0.573 20 0 FBADMP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000559570615 483847525 /nfs/dbraw/zinc/84/75/25/483847525.db2.gz MXENELUIWFSBJQ-HNNXBMFYSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000559570616 483847532 /nfs/dbraw/zinc/84/75/32/483847532.db2.gz MXENELUIWFSBJQ-OAHLLOKOSA-N 2 1 364.490 -0.090 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000559590686 483848539 /nfs/dbraw/zinc/84/85/39/483848539.db2.gz SOAWPTAOIGWPDP-UHFFFAOYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000559614558 483849949 /nfs/dbraw/zinc/84/99/49/483849949.db2.gz VIJXQXHTGXJIOP-INIZCTEOSA-N 2 1 355.527 -0.215 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000559614559 483850328 /nfs/dbraw/zinc/85/03/28/483850328.db2.gz VIJXQXHTGXJIOP-MRXNPFEDSA-N 2 1 355.527 -0.215 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559661312 483850583 /nfs/dbraw/zinc/85/05/83/483850583.db2.gz GAXIMLBVIWHFTG-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000559664594 483851094 /nfs/dbraw/zinc/85/10/94/483851094.db2.gz FPIIEGTTXFNYPG-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000559664619 483851010 /nfs/dbraw/zinc/85/10/10/483851010.db2.gz FPIIEGTTXFNYPG-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000559665000 483851467 /nfs/dbraw/zinc/85/14/67/483851467.db2.gz UWVQKPPXWKHPKR-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000559665003 483851731 /nfs/dbraw/zinc/85/17/31/483851731.db2.gz UWVQKPPXWKHPKR-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681402 483851540 /nfs/dbraw/zinc/85/15/40/483851540.db2.gz LMCHQFACMOSHPY-PBHICJAKSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681402 483851537 /nfs/dbraw/zinc/85/15/37/483851537.db2.gz LMCHQFACMOSHPY-PBHICJAKSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681402 483851536 /nfs/dbraw/zinc/85/15/36/483851536.db2.gz LMCHQFACMOSHPY-PBHICJAKSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681409 483851674 /nfs/dbraw/zinc/85/16/74/483851674.db2.gz LMCHQFACMOSHPY-RHSMWYFYSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681409 483851671 /nfs/dbraw/zinc/85/16/71/483851671.db2.gz LMCHQFACMOSHPY-RHSMWYFYSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681409 483851668 /nfs/dbraw/zinc/85/16/68/483851668.db2.gz LMCHQFACMOSHPY-RHSMWYFYSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681412 483851552 /nfs/dbraw/zinc/85/15/52/483851552.db2.gz LMCHQFACMOSHPY-WMLDXEAASA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681412 483851549 /nfs/dbraw/zinc/85/15/49/483851549.db2.gz LMCHQFACMOSHPY-WMLDXEAASA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681412 483851547 /nfs/dbraw/zinc/85/15/47/483851547.db2.gz LMCHQFACMOSHPY-WMLDXEAASA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681415 483851580 /nfs/dbraw/zinc/85/15/80/483851580.db2.gz LMCHQFACMOSHPY-YOEHRIQHSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559681415 483851577 /nfs/dbraw/zinc/85/15/77/483851577.db2.gz LMCHQFACMOSHPY-YOEHRIQHSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681415 483851575 /nfs/dbraw/zinc/85/15/75/483851575.db2.gz LMCHQFACMOSHPY-YOEHRIQHSA-N 2 1 365.522 -0.273 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559701590 483852056 /nfs/dbraw/zinc/85/20/56/483852056.db2.gz ADAUWTLDKQRVJF-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000559704687 483851917 /nfs/dbraw/zinc/85/19/17/483851917.db2.gz XSYMNMGVPUXIDM-UHFFFAOYSA-N 2 1 365.522 -0.103 20 0 FBADMP CN(C)c1ncccc1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000559768264 483854109 /nfs/dbraw/zinc/85/41/09/483854109.db2.gz FARUAIYQKCCURV-UHFFFAOYSA-N 2 1 351.476 -0.071 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N(C)C ZINC000559769408 483854082 /nfs/dbraw/zinc/85/40/82/483854082.db2.gz NUHIYTCDDVLEOK-HNNXBMFYSA-N 2 1 363.462 -0.009 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N(C)C ZINC000559769409 483853883 /nfs/dbraw/zinc/85/38/83/483853883.db2.gz NUHIYTCDDVLEOK-OAHLLOKOSA-N 2 1 363.462 -0.009 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559771370 483853881 /nfs/dbraw/zinc/85/38/81/483853881.db2.gz WJKVHCSDDWEGGR-AWEZNQCLSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559771370 483853880 /nfs/dbraw/zinc/85/38/80/483853880.db2.gz WJKVHCSDDWEGGR-AWEZNQCLSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559771371 483853930 /nfs/dbraw/zinc/85/39/30/483853930.db2.gz WJKVHCSDDWEGGR-CQSZACIVSA-N 2 1 355.483 -0.887 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559771371 483853929 /nfs/dbraw/zinc/85/39/29/483853929.db2.gz WJKVHCSDDWEGGR-CQSZACIVSA-N 2 1 355.483 -0.887 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559771578 483853947 /nfs/dbraw/zinc/85/39/47/483853947.db2.gz YZPNJVVOVSTOGU-UHFFFAOYSA-N 2 1 367.494 -0.885 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796258 484350108 /nfs/dbraw/zinc/35/01/08/484350108.db2.gz MSXWCZDVALRVJC-AWEZNQCLSA-N 2 1 365.482 -0.063 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796259 484350276 /nfs/dbraw/zinc/35/02/76/484350276.db2.gz MSXWCZDVALRVJC-CQSZACIVSA-N 2 1 365.482 -0.063 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000559831438 483856044 /nfs/dbraw/zinc/85/60/44/483856044.db2.gz KOIGMBDFZVYWLI-KRWDZBQOSA-N 2 1 365.522 -0.173 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000559831439 483856099 /nfs/dbraw/zinc/85/60/99/483856099.db2.gz KOIGMBDFZVYWLI-QGZVFWFLSA-N 2 1 365.522 -0.173 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000559834584 483855867 /nfs/dbraw/zinc/85/58/67/483855867.db2.gz HBCQLSUJNKJCNW-UHFFFAOYSA-N 2 1 353.511 -0.316 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836132 483855882 /nfs/dbraw/zinc/85/58/82/483855882.db2.gz KXSKRFGVTLVNNF-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836133 483855695 /nfs/dbraw/zinc/85/56/95/483855695.db2.gz KXSKRFGVTLVNNF-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836134 483856155 /nfs/dbraw/zinc/85/61/55/483856155.db2.gz KXSKRFGVTLVNNF-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836135 483856075 /nfs/dbraw/zinc/85/60/75/483856075.db2.gz KXSKRFGVTLVNNF-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000559837796 483855731 /nfs/dbraw/zinc/85/57/31/483855731.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000559837796 483855730 /nfs/dbraw/zinc/85/57/30/483855730.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000559837796 483855727 /nfs/dbraw/zinc/85/57/27/483855727.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000559837799 483856030 /nfs/dbraw/zinc/85/60/30/483856030.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000559837799 483856027 /nfs/dbraw/zinc/85/60/27/483856027.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000559837799 483856025 /nfs/dbraw/zinc/85/60/25/483856025.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000559848121 483856402 /nfs/dbraw/zinc/85/64/02/483856402.db2.gz ATHBLHBXIZVKIV-CABCVRRESA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000559848124 483856659 /nfs/dbraw/zinc/85/66/59/483856659.db2.gz ATHBLHBXIZVKIV-GJZGRUSLSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000559848125 483856420 /nfs/dbraw/zinc/85/64/20/483856420.db2.gz ATHBLHBXIZVKIV-HUUCEWRRSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000559848126 483856408 /nfs/dbraw/zinc/85/64/08/483856408.db2.gz ATHBLHBXIZVKIV-LSDHHAIUSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000559851656 483856415 /nfs/dbraw/zinc/85/64/15/483856415.db2.gz NYMBWCFILLZBKE-CYBMUJFWSA-N 2 1 369.510 -0.595 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000559851660 483856657 /nfs/dbraw/zinc/85/66/57/483856657.db2.gz NYMBWCFILLZBKE-ZDUSSCGKSA-N 2 1 369.510 -0.595 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000559852330 483857079 /nfs/dbraw/zinc/85/70/79/483857079.db2.gz VXLSDZFONYGYJP-AWEZNQCLSA-N 2 1 369.510 -0.450 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000559852331 483857191 /nfs/dbraw/zinc/85/71/91/483857191.db2.gz VXLSDZFONYGYJP-CQSZACIVSA-N 2 1 369.510 -0.450 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559901191 483858589 /nfs/dbraw/zinc/85/85/89/483858589.db2.gz CIDJJVKJIWQNSM-HNNXBMFYSA-N 3 1 353.511 -0.461 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000559901192 483858387 /nfs/dbraw/zinc/85/83/87/483858387.db2.gz CIDJJVKJIWQNSM-OAHLLOKOSA-N 3 1 353.511 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903945 483858610 /nfs/dbraw/zinc/85/86/10/483858610.db2.gz RWGPWRQEICDKRX-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903945 483858608 /nfs/dbraw/zinc/85/86/08/483858608.db2.gz RWGPWRQEICDKRX-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903953 483858446 /nfs/dbraw/zinc/85/84/46/483858446.db2.gz RWGPWRQEICDKRX-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903953 483858444 /nfs/dbraw/zinc/85/84/44/483858444.db2.gz RWGPWRQEICDKRX-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903956 483858600 /nfs/dbraw/zinc/85/86/00/483858600.db2.gz RWGPWRQEICDKRX-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903956 483858599 /nfs/dbraw/zinc/85/85/99/483858599.db2.gz RWGPWRQEICDKRX-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903959 483858355 /nfs/dbraw/zinc/85/83/55/483858355.db2.gz RWGPWRQEICDKRX-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000559903959 483858352 /nfs/dbraw/zinc/85/83/52/483858352.db2.gz RWGPWRQEICDKRX-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560008572 483861193 /nfs/dbraw/zinc/86/11/93/483861193.db2.gz TZKFETKKYBPJLD-INIZCTEOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560008573 483861361 /nfs/dbraw/zinc/86/13/61/483861361.db2.gz TZKFETKKYBPJLD-MRXNPFEDSA-N 2 1 367.538 -0.025 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000560012646 483861596 /nfs/dbraw/zinc/86/15/96/483861596.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000560012646 483861594 /nfs/dbraw/zinc/86/15/94/483861594.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000560012646 483861592 /nfs/dbraw/zinc/86/15/92/483861592.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000560012655 483861764 /nfs/dbraw/zinc/86/17/64/483861764.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000560012655 483861763 /nfs/dbraw/zinc/86/17/63/483861763.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000560012655 483861761 /nfs/dbraw/zinc/86/17/61/483861761.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000560013927 483861731 /nfs/dbraw/zinc/86/17/31/483861731.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000560013927 483861728 /nfs/dbraw/zinc/86/17/28/483861728.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000560013927 483861725 /nfs/dbraw/zinc/86/17/25/483861725.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000560013932 483861773 /nfs/dbraw/zinc/86/17/73/483861773.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000560013932 483861771 /nfs/dbraw/zinc/86/17/71/483861771.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000560013932 483861770 /nfs/dbraw/zinc/86/17/70/483861770.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 2 1 355.527 -0.167 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000560014118 483861643 /nfs/dbraw/zinc/86/16/43/483861643.db2.gz QMWVEYXFJRESGW-KRWDZBQOSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000560014119 483861903 /nfs/dbraw/zinc/86/19/03/483861903.db2.gz QMWVEYXFJRESGW-QGZVFWFLSA-N 2 1 367.538 -0.022 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014257 483861885 /nfs/dbraw/zinc/86/18/85/483861885.db2.gz VZUXPCYVKAJYOI-CABCVRRESA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014258 483861855 /nfs/dbraw/zinc/86/18/55/483861855.db2.gz VZUXPCYVKAJYOI-GJZGRUSLSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014259 483861807 /nfs/dbraw/zinc/86/18/07/483861807.db2.gz VZUXPCYVKAJYOI-HUUCEWRRSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014260 483861869 /nfs/dbraw/zinc/86/18/69/483861869.db2.gz VZUXPCYVKAJYOI-LSDHHAIUSA-N 2 1 351.495 -0.661 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000560014835 483861647 /nfs/dbraw/zinc/86/16/47/483861647.db2.gz FSSXLIXGTFEYKD-INIZCTEOSA-N 2 1 355.527 -0.214 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000560014836 483861754 /nfs/dbraw/zinc/86/17/54/483861754.db2.gz FSSXLIXGTFEYKD-MRXNPFEDSA-N 2 1 355.527 -0.214 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560015017 483861989 /nfs/dbraw/zinc/86/19/89/483861989.db2.gz AKMHMJCHNDHEMT-KRWDZBQOSA-N 2 1 365.522 -0.246 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560015021 483862066 /nfs/dbraw/zinc/86/20/66/483862066.db2.gz AKMHMJCHNDHEMT-QGZVFWFLSA-N 2 1 365.522 -0.246 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000560015104 483861880 /nfs/dbraw/zinc/86/18/80/483861880.db2.gz BPVKGKCTFDJFHQ-INIZCTEOSA-N 2 1 367.538 -0.166 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000560015105 483862008 /nfs/dbraw/zinc/86/20/08/483862008.db2.gz BPVKGKCTFDJFHQ-MRXNPFEDSA-N 2 1 367.538 -0.166 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000560017780 483863117 /nfs/dbraw/zinc/86/31/17/483863117.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000560017780 483863116 /nfs/dbraw/zinc/86/31/16/483863116.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000560017780 483863115 /nfs/dbraw/zinc/86/31/15/483863115.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000560017781 483863259 /nfs/dbraw/zinc/86/32/59/483863259.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000560017781 483863256 /nfs/dbraw/zinc/86/32/56/483863256.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000560017781 483863254 /nfs/dbraw/zinc/86/32/54/483863254.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000560017782 483862878 /nfs/dbraw/zinc/86/28/78/483862878.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000560017782 483862876 /nfs/dbraw/zinc/86/28/76/483862876.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000560017782 483862873 /nfs/dbraw/zinc/86/28/73/483862873.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000560017783 483863037 /nfs/dbraw/zinc/86/30/37/483863037.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000560017783 483863035 /nfs/dbraw/zinc/86/30/35/483863035.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000560017783 483863033 /nfs/dbraw/zinc/86/30/33/483863033.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 2 1 355.527 -0.167 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862642 /nfs/dbraw/zinc/86/26/42/483862642.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862641 /nfs/dbraw/zinc/86/26/41/483862641.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862640 /nfs/dbraw/zinc/86/26/40/483862640.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862253 /nfs/dbraw/zinc/86/22/53/483862253.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862252 /nfs/dbraw/zinc/86/22/52/483862252.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862248 /nfs/dbraw/zinc/86/22/48/483862248.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862299 /nfs/dbraw/zinc/86/22/99/483862299.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862297 /nfs/dbraw/zinc/86/22/97/483862297.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862295 /nfs/dbraw/zinc/86/22/95/483862295.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862524 /nfs/dbraw/zinc/86/25/24/483862524.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862522 /nfs/dbraw/zinc/86/25/22/483862522.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862521 /nfs/dbraw/zinc/86/25/21/483862521.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560030935 483862853 /nfs/dbraw/zinc/86/28/53/483862853.db2.gz LLQNJCWKGCSNOB-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560030936 483863150 /nfs/dbraw/zinc/86/31/50/483863150.db2.gz LLQNJCWKGCSNOB-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560031108 483863164 /nfs/dbraw/zinc/86/31/64/483863164.db2.gz PKTOQBSHISSNAE-KRWDZBQOSA-N 2 1 367.538 -0.214 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560031109 483863199 /nfs/dbraw/zinc/86/31/99/483863199.db2.gz PKTOQBSHISSNAE-QGZVFWFLSA-N 2 1 367.538 -0.214 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031431 483863170 /nfs/dbraw/zinc/86/31/70/483863170.db2.gz YCTOYPLCBUKGPT-BZUAXINKSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031432 483863099 /nfs/dbraw/zinc/86/30/99/483863099.db2.gz YCTOYPLCBUKGPT-OAGGEKHMSA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031433 483863153 /nfs/dbraw/zinc/86/31/53/483863153.db2.gz YCTOYPLCBUKGPT-OWCLPIDISA-N 2 1 365.522 -0.273 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031434 483862967 /nfs/dbraw/zinc/86/29/67/483862967.db2.gz YCTOYPLCBUKGPT-PMPSAXMXSA-N 2 1 365.522 -0.273 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560031712 483863145 /nfs/dbraw/zinc/86/31/45/483863145.db2.gz BWANGIGMQIUGSA-INIZCTEOSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560031713 483863125 /nfs/dbraw/zinc/86/31/25/483863125.db2.gz BWANGIGMQIUGSA-MRXNPFEDSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000560034389 483863073 /nfs/dbraw/zinc/86/30/73/483863073.db2.gz NUCVMAFNBDTQFE-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000560034390 483862890 /nfs/dbraw/zinc/86/28/90/483862890.db2.gz NUCVMAFNBDTQFE-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000560034391 483863001 /nfs/dbraw/zinc/86/30/01/483863001.db2.gz NUCVMAFNBDTQFE-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000560034392 483863233 /nfs/dbraw/zinc/86/32/33/483863233.db2.gz NUCVMAFNBDTQFE-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000560637510 483880828 /nfs/dbraw/zinc/88/08/28/483880828.db2.gz UCELIVYPYUANOE-UHFFFAOYSA-N 3 1 353.511 -0.508 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000560654556 483881072 /nfs/dbraw/zinc/88/10/72/483881072.db2.gz UEZMXSNWRUUVJX-DOTOQJQBSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000560654557 483881307 /nfs/dbraw/zinc/88/13/07/483881307.db2.gz UEZMXSNWRUUVJX-NVXWUHKLSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000560654558 483881294 /nfs/dbraw/zinc/88/12/94/483881294.db2.gz UEZMXSNWRUUVJX-RDJZCZTQSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000560654559 483881396 /nfs/dbraw/zinc/88/13/96/483881396.db2.gz UEZMXSNWRUUVJX-WBVHZDCISA-N 2 1 363.506 -0.422 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000560654827 483881034 /nfs/dbraw/zinc/88/10/34/483881034.db2.gz FTBGMUUJDJJINK-KFWWJZLASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000560654828 483881266 /nfs/dbraw/zinc/88/12/66/483881266.db2.gz FTBGMUUJDJJINK-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000560654828 483881264 /nfs/dbraw/zinc/88/12/64/483881264.db2.gz FTBGMUUJDJJINK-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000560654828 483881263 /nfs/dbraw/zinc/88/12/63/483881263.db2.gz FTBGMUUJDJJINK-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000560654829 483881199 /nfs/dbraw/zinc/88/11/99/483881199.db2.gz FTBGMUUJDJJINK-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000560654830 483881280 /nfs/dbraw/zinc/88/12/80/483881280.db2.gz FTBGMUUJDJJINK-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000560654830 483881278 /nfs/dbraw/zinc/88/12/78/483881278.db2.gz FTBGMUUJDJJINK-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000560654830 483881276 /nfs/dbraw/zinc/88/12/76/483881276.db2.gz FTBGMUUJDJJINK-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560655731 483881526 /nfs/dbraw/zinc/88/15/26/483881526.db2.gz PNJHRSAJDRSAQP-INIZCTEOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560655732 483881821 /nfs/dbraw/zinc/88/18/21/483881821.db2.gz PNJHRSAJDRSAQP-MRXNPFEDSA-N 2 1 364.490 -0.090 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000560668644 483882035 /nfs/dbraw/zinc/88/20/35/483882035.db2.gz RQEOHEOBNGQYCF-CABCVRRESA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000560668648 483882347 /nfs/dbraw/zinc/88/23/47/483882347.db2.gz RQEOHEOBNGQYCF-GJZGRUSLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000560668650 483882317 /nfs/dbraw/zinc/88/23/17/483882317.db2.gz RQEOHEOBNGQYCF-HUUCEWRRSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000560668651 483882104 /nfs/dbraw/zinc/88/21/04/483882104.db2.gz RQEOHEOBNGQYCF-LSDHHAIUSA-N 2 1 367.494 -0.792 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560883181 483886073 /nfs/dbraw/zinc/88/60/73/483886073.db2.gz FJGGSHCFXAVKAR-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560883181 483886071 /nfs/dbraw/zinc/88/60/71/483886071.db2.gz FJGGSHCFXAVKAR-CVEARBPZSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560883188 483885953 /nfs/dbraw/zinc/88/59/53/483885953.db2.gz FJGGSHCFXAVKAR-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560883188 483885952 /nfs/dbraw/zinc/88/59/52/483885952.db2.gz FJGGSHCFXAVKAR-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560883190 483886108 /nfs/dbraw/zinc/88/61/08/483886108.db2.gz FJGGSHCFXAVKAR-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560883190 483886107 /nfs/dbraw/zinc/88/61/07/483886107.db2.gz FJGGSHCFXAVKAR-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560883192 483885901 /nfs/dbraw/zinc/88/59/01/483885901.db2.gz FJGGSHCFXAVKAR-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560883192 483885899 /nfs/dbraw/zinc/88/58/99/483885899.db2.gz FJGGSHCFXAVKAR-JKSUJKDBSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884897 483885688 /nfs/dbraw/zinc/88/56/88/483885688.db2.gz OXJMYMQDMFZWFM-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884899 483885788 /nfs/dbraw/zinc/88/57/88/483885788.db2.gz OXJMYMQDMFZWFM-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884901 483886043 /nfs/dbraw/zinc/88/60/43/483886043.db2.gz OXJMYMQDMFZWFM-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884902 483886018 /nfs/dbraw/zinc/88/60/18/483886018.db2.gz OXJMYMQDMFZWFM-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000560885907 483886429 /nfs/dbraw/zinc/88/64/29/483886429.db2.gz QMCIAWJKROVCRY-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000560885907 483886427 /nfs/dbraw/zinc/88/64/27/483886427.db2.gz QMCIAWJKROVCRY-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000560885909 483886445 /nfs/dbraw/zinc/88/64/45/483886445.db2.gz QMCIAWJKROVCRY-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000560885909 483886443 /nfs/dbraw/zinc/88/64/43/483886443.db2.gz QMCIAWJKROVCRY-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000560886012 483886550 /nfs/dbraw/zinc/88/65/50/483886550.db2.gz QMCIAWJKROVCRY-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000560886012 483886549 /nfs/dbraw/zinc/88/65/49/483886549.db2.gz QMCIAWJKROVCRY-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000560886013 483886339 /nfs/dbraw/zinc/88/63/39/483886339.db2.gz QMCIAWJKROVCRY-PMPSAXMXSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000560886013 483886337 /nfs/dbraw/zinc/88/63/37/483886337.db2.gz QMCIAWJKROVCRY-PMPSAXMXSA-N 2 1 354.495 -0.131 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000560898713 483886352 /nfs/dbraw/zinc/88/63/52/483886352.db2.gz MHJSODCHEIDTLH-UHFFFAOYSA-N 2 1 350.467 -0.098 20 0 FBADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000560911687 483888092 /nfs/dbraw/zinc/88/80/92/483888092.db2.gz ZRSCKUIQNXDVCX-CABCVRRESA-N 2 1 363.462 -0.117 20 0 FBADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000560911702 483887940 /nfs/dbraw/zinc/88/79/40/483887940.db2.gz ZRSCKUIQNXDVCX-GJZGRUSLSA-N 2 1 363.462 -0.117 20 0 FBADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000560911704 483888169 /nfs/dbraw/zinc/88/81/69/483888169.db2.gz ZRSCKUIQNXDVCX-HUUCEWRRSA-N 2 1 363.462 -0.117 20 0 FBADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000560911707 483887925 /nfs/dbraw/zinc/88/79/25/483887925.db2.gz ZRSCKUIQNXDVCX-LSDHHAIUSA-N 2 1 363.462 -0.117 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000560937882 483888828 /nfs/dbraw/zinc/88/88/28/483888828.db2.gz LAWXEZUCVABEOZ-HNNXBMFYSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000560937883 483888985 /nfs/dbraw/zinc/88/89/85/483888985.db2.gz LAWXEZUCVABEOZ-OAHLLOKOSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560939118 483888911 /nfs/dbraw/zinc/88/89/11/483888911.db2.gz JSZGUELNDXUOCN-UHFFFAOYSA-N 2 1 370.494 -0.748 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000560939970 483888680 /nfs/dbraw/zinc/88/86/80/483888680.db2.gz RWKFQIWLQSLAKT-MRXNPFEDSA-N 2 1 370.494 -0.748 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000560940769 483888924 /nfs/dbraw/zinc/88/89/24/483888924.db2.gz VWMRRDLGSJZCBY-INIZCTEOSA-N 2 1 354.495 -0.129 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000560940774 483888632 /nfs/dbraw/zinc/88/86/32/483888632.db2.gz VWMRRDLGSJZCBY-MRXNPFEDSA-N 2 1 354.495 -0.129 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044469 483890620 /nfs/dbraw/zinc/89/06/20/483890620.db2.gz FHHTULZUJSBPAZ-HNNXBMFYSA-N 2 1 369.510 -0.545 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044470 483890701 /nfs/dbraw/zinc/89/07/01/483890701.db2.gz FHHTULZUJSBPAZ-OAHLLOKOSA-N 2 1 369.510 -0.545 20 0 FBADMP CC[NH+]1CCC(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000561151769 483894362 /nfs/dbraw/zinc/89/43/62/483894362.db2.gz UPHGDIPFNLNVDN-UHFFFAOYSA-N 2 1 373.523 -0.653 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000561175537 483894161 /nfs/dbraw/zinc/89/41/61/483894161.db2.gz AWUYGEGNDRNXPM-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000561175537 483894159 /nfs/dbraw/zinc/89/41/59/483894159.db2.gz AWUYGEGNDRNXPM-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000561175539 483894273 /nfs/dbraw/zinc/89/42/73/483894273.db2.gz AWUYGEGNDRNXPM-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000561175539 483894271 /nfs/dbraw/zinc/89/42/71/483894271.db2.gz AWUYGEGNDRNXPM-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176982 483894832 /nfs/dbraw/zinc/89/48/32/483894832.db2.gz HETKSLJTSXWOBI-CVEARBPZSA-N 2 1 367.494 -0.440 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176983 483894741 /nfs/dbraw/zinc/89/47/41/483894741.db2.gz HETKSLJTSXWOBI-HOTGVXAUSA-N 2 1 367.494 -0.440 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176984 483894860 /nfs/dbraw/zinc/89/48/60/483894860.db2.gz HETKSLJTSXWOBI-HZPDHXFCSA-N 2 1 367.494 -0.440 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176985 483894765 /nfs/dbraw/zinc/89/47/65/483894765.db2.gz HETKSLJTSXWOBI-JKSUJKDBSA-N 2 1 367.494 -0.440 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000561189129 483894840 /nfs/dbraw/zinc/89/48/40/483894840.db2.gz XAVSHJZPKPNTFY-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000561189130 483895515 /nfs/dbraw/zinc/89/55/15/483895515.db2.gz XAVSHJZPKPNTFY-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000561189131 483895385 /nfs/dbraw/zinc/89/53/85/483895385.db2.gz XAVSHJZPKPNTFY-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000561189132 483895164 /nfs/dbraw/zinc/89/51/64/483895164.db2.gz XAVSHJZPKPNTFY-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561249377 483898276 /nfs/dbraw/zinc/89/82/76/483898276.db2.gz ONHBBAGFFQHJSP-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561249380 483898234 /nfs/dbraw/zinc/89/82/34/483898234.db2.gz ONHBBAGFFQHJSP-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP O=C(NC1C[NH2+]C1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000561256765 483898871 /nfs/dbraw/zinc/89/88/71/483898871.db2.gz IQHHZNOBXXBPOC-UHFFFAOYSA-N 2 1 361.446 -0.780 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000561267001 483899148 /nfs/dbraw/zinc/89/91/48/483899148.db2.gz SHYQFDWTNOMXJY-AWEZNQCLSA-N 2 1 367.519 -0.122 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000561267002 483899413 /nfs/dbraw/zinc/89/94/13/483899413.db2.gz SHYQFDWTNOMXJY-CQSZACIVSA-N 2 1 367.519 -0.122 20 0 FBADMP CC(C)Nc1nc(NCC[N@H+]2CCCC(C)(C)C2)nc(NCCO)[nH+]1 ZINC000561326580 483901152 /nfs/dbraw/zinc/90/11/52/483901152.db2.gz XRHZRVBVGWUSCX-UHFFFAOYSA-N 2 1 351.499 -0.104 20 0 FBADMP CC(C)Nc1nc(NCC[N@@H+]2CCCC(C)(C)C2)nc(NCCO)[nH+]1 ZINC000561326580 483901150 /nfs/dbraw/zinc/90/11/50/483901150.db2.gz XRHZRVBVGWUSCX-UHFFFAOYSA-N 2 1 351.499 -0.104 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000561450326 483907250 /nfs/dbraw/zinc/90/72/50/483907250.db2.gz FHOQGRBISDYELS-CVEARBPZSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000561450326 483907244 /nfs/dbraw/zinc/90/72/44/483907244.db2.gz FHOQGRBISDYELS-CVEARBPZSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000561450326 483907240 /nfs/dbraw/zinc/90/72/40/483907240.db2.gz FHOQGRBISDYELS-CVEARBPZSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000561450327 483906909 /nfs/dbraw/zinc/90/69/09/483906909.db2.gz FHOQGRBISDYELS-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000561450327 483906904 /nfs/dbraw/zinc/90/69/04/483906904.db2.gz FHOQGRBISDYELS-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000561450327 483906898 /nfs/dbraw/zinc/90/68/98/483906898.db2.gz FHOQGRBISDYELS-HOTGVXAUSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000561450328 483907191 /nfs/dbraw/zinc/90/71/91/483907191.db2.gz FHOQGRBISDYELS-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000561450328 483907185 /nfs/dbraw/zinc/90/71/85/483907185.db2.gz FHOQGRBISDYELS-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000561450328 483907179 /nfs/dbraw/zinc/90/71/79/483907179.db2.gz FHOQGRBISDYELS-HZPDHXFCSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000561450329 483906951 /nfs/dbraw/zinc/90/69/51/483906951.db2.gz FHOQGRBISDYELS-JKSUJKDBSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000561450329 483906947 /nfs/dbraw/zinc/90/69/47/483906947.db2.gz FHOQGRBISDYELS-JKSUJKDBSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000561450329 483906939 /nfs/dbraw/zinc/90/69/39/483906939.db2.gz FHOQGRBISDYELS-JKSUJKDBSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000561450364 483906194 /nfs/dbraw/zinc/90/61/94/483906194.db2.gz GPJQTCUMTHHRAA-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000561450365 483906866 /nfs/dbraw/zinc/90/68/66/483906866.db2.gz GPJQTCUMTHHRAA-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000561453758 483906641 /nfs/dbraw/zinc/90/66/41/483906641.db2.gz RJBPJMLYWRXQGB-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000561453759 483906336 /nfs/dbraw/zinc/90/63/36/483906336.db2.gz RJBPJMLYWRXQGB-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000561453760 483907305 /nfs/dbraw/zinc/90/73/05/483907305.db2.gz RJBPJMLYWRXQGB-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000561453761 483906576 /nfs/dbraw/zinc/90/65/76/483906576.db2.gz RJBPJMLYWRXQGB-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[N@@H+](C)C1 ZINC000561546219 483911366 /nfs/dbraw/zinc/91/13/66/483911366.db2.gz MLFNZCSSRYOLHW-KKUMJFAQSA-N 2 1 355.483 -0.313 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[N@H+](C)C1 ZINC000561546219 483911364 /nfs/dbraw/zinc/91/13/64/483911364.db2.gz MLFNZCSSRYOLHW-KKUMJFAQSA-N 2 1 355.483 -0.313 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[NH+](C)C1 ZINC000561546219 483911363 /nfs/dbraw/zinc/91/13/63/483911363.db2.gz MLFNZCSSRYOLHW-KKUMJFAQSA-N 2 1 355.483 -0.313 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)[N@@H+](C)C1 ZINC000561546220 483911746 /nfs/dbraw/zinc/91/17/46/483911746.db2.gz MLFNZCSSRYOLHW-SOUVJXGZSA-N 2 1 355.483 -0.313 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)[N@H+](C)C1 ZINC000561546220 483911743 /nfs/dbraw/zinc/91/17/43/483911743.db2.gz MLFNZCSSRYOLHW-SOUVJXGZSA-N 2 1 355.483 -0.313 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)[NH+](C)C1 ZINC000561546220 483911738 /nfs/dbraw/zinc/91/17/38/483911738.db2.gz MLFNZCSSRYOLHW-SOUVJXGZSA-N 2 1 355.483 -0.313 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000561638938 483916727 /nfs/dbraw/zinc/91/67/27/483916727.db2.gz AHAZIIINOVOLFQ-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000561757366 483928069 /nfs/dbraw/zinc/92/80/69/483928069.db2.gz FPESUSYQCZIUNK-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000561757366 483928060 /nfs/dbraw/zinc/92/80/60/483928060.db2.gz FPESUSYQCZIUNK-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000561757367 483927009 /nfs/dbraw/zinc/92/70/09/483927009.db2.gz FPESUSYQCZIUNK-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000561757367 483927003 /nfs/dbraw/zinc/92/70/03/483927003.db2.gz FPESUSYQCZIUNK-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000561758510 483927511 /nfs/dbraw/zinc/92/75/11/483927511.db2.gz CNAYWEUESIHIHE-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000561760387 483926958 /nfs/dbraw/zinc/92/69/58/483926958.db2.gz YZTWRPQLLWMJNK-UHFFFAOYSA-N 2 1 369.510 -0.546 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000561880129 483940055 /nfs/dbraw/zinc/94/00/55/483940055.db2.gz IRNCTAHBGRCWGH-BZUAXINKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000561880129 483940046 /nfs/dbraw/zinc/94/00/46/483940046.db2.gz IRNCTAHBGRCWGH-BZUAXINKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000561880130 483939737 /nfs/dbraw/zinc/93/97/37/483939737.db2.gz IRNCTAHBGRCWGH-OAGGEKHMSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000561880130 483939732 /nfs/dbraw/zinc/93/97/32/483939732.db2.gz IRNCTAHBGRCWGH-OAGGEKHMSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000561880131 483939566 /nfs/dbraw/zinc/93/95/66/483939566.db2.gz IRNCTAHBGRCWGH-OWCLPIDISA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000561880131 483939560 /nfs/dbraw/zinc/93/95/60/483939560.db2.gz IRNCTAHBGRCWGH-OWCLPIDISA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000561880132 483939852 /nfs/dbraw/zinc/93/98/52/483939852.db2.gz IRNCTAHBGRCWGH-PMPSAXMXSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000561880132 483939845 /nfs/dbraw/zinc/93/98/45/483939845.db2.gz IRNCTAHBGRCWGH-PMPSAXMXSA-N 2 1 364.490 -0.092 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000561991840 483954882 /nfs/dbraw/zinc/95/48/82/483954882.db2.gz FQZFCDCMYOJOHZ-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000561991840 483954877 /nfs/dbraw/zinc/95/48/77/483954877.db2.gz FQZFCDCMYOJOHZ-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000561991840 483954871 /nfs/dbraw/zinc/95/48/71/483954871.db2.gz FQZFCDCMYOJOHZ-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000561991843 483954537 /nfs/dbraw/zinc/95/45/37/483954537.db2.gz FQZFCDCMYOJOHZ-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000561991843 483954530 /nfs/dbraw/zinc/95/45/30/483954530.db2.gz FQZFCDCMYOJOHZ-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000561991843 483954521 /nfs/dbraw/zinc/95/45/21/483954521.db2.gz FQZFCDCMYOJOHZ-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000561991845 483954267 /nfs/dbraw/zinc/95/42/67/483954267.db2.gz FQZFCDCMYOJOHZ-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000561991845 483954264 /nfs/dbraw/zinc/95/42/64/483954264.db2.gz FQZFCDCMYOJOHZ-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000561991845 483954261 /nfs/dbraw/zinc/95/42/61/483954261.db2.gz FQZFCDCMYOJOHZ-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000561991847 483954225 /nfs/dbraw/zinc/95/42/25/483954225.db2.gz FQZFCDCMYOJOHZ-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000561991847 483954222 /nfs/dbraw/zinc/95/42/22/483954222.db2.gz FQZFCDCMYOJOHZ-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000561991847 483954218 /nfs/dbraw/zinc/95/42/18/483954218.db2.gz FQZFCDCMYOJOHZ-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000561995680 483956962 /nfs/dbraw/zinc/95/69/62/483956962.db2.gz NRFDKGGUOCVACA-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561995680 483956954 /nfs/dbraw/zinc/95/69/54/483956954.db2.gz NRFDKGGUOCVACA-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000561995693 483957098 /nfs/dbraw/zinc/95/70/98/483957098.db2.gz NRFDKGGUOCVACA-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561995693 483957092 /nfs/dbraw/zinc/95/70/92/483957092.db2.gz NRFDKGGUOCVACA-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000561995700 483957324 /nfs/dbraw/zinc/95/73/24/483957324.db2.gz NRFDKGGUOCVACA-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561995700 483957316 /nfs/dbraw/zinc/95/73/16/483957316.db2.gz NRFDKGGUOCVACA-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000561995701 483956178 /nfs/dbraw/zinc/95/61/78/483956178.db2.gz NRFDKGGUOCVACA-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561995701 483956173 /nfs/dbraw/zinc/95/61/73/483956173.db2.gz NRFDKGGUOCVACA-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997452 483958805 /nfs/dbraw/zinc/95/88/05/483958805.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997452 483958798 /nfs/dbraw/zinc/95/87/98/483958798.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000561997452 483958794 /nfs/dbraw/zinc/95/87/94/483958794.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997453 483958282 /nfs/dbraw/zinc/95/82/82/483958282.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997453 483958276 /nfs/dbraw/zinc/95/82/76/483958276.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000561997453 483958271 /nfs/dbraw/zinc/95/82/71/483958271.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997454 483958655 /nfs/dbraw/zinc/95/86/55/483958655.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997454 483958649 /nfs/dbraw/zinc/95/86/49/483958649.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000561997454 483958642 /nfs/dbraw/zinc/95/86/42/483958642.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997455 483958499 /nfs/dbraw/zinc/95/84/99/483958499.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000561997455 483958493 /nfs/dbraw/zinc/95/84/93/483958493.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000561997455 483958485 /nfs/dbraw/zinc/95/84/85/483958485.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000561998285 483955839 /nfs/dbraw/zinc/95/58/39/483955839.db2.gz YTCKILYMIAPFTD-INIZCTEOSA-N 2 1 355.527 -0.027 20 0 FBADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000561998290 483955929 /nfs/dbraw/zinc/95/59/29/483955929.db2.gz YTCKILYMIAPFTD-MRXNPFEDSA-N 2 1 355.527 -0.027 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000562000095 483956609 /nfs/dbraw/zinc/95/66/09/483956609.db2.gz QLECMTYVIAWGKZ-CABCVRRESA-N 2 1 355.527 -0.169 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000562000101 483956086 /nfs/dbraw/zinc/95/60/86/483956086.db2.gz QLECMTYVIAWGKZ-GJZGRUSLSA-N 2 1 355.527 -0.169 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000562000104 483957298 /nfs/dbraw/zinc/95/72/98/483957298.db2.gz QLECMTYVIAWGKZ-HUUCEWRRSA-N 2 1 355.527 -0.169 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000562000106 483956351 /nfs/dbraw/zinc/95/63/51/483956351.db2.gz QLECMTYVIAWGKZ-LSDHHAIUSA-N 2 1 355.527 -0.169 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@H+]1C ZINC000562009085 483957943 /nfs/dbraw/zinc/95/79/43/483957943.db2.gz HCVXVKZMVAREGG-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@@H+]1C ZINC000562009085 483957936 /nfs/dbraw/zinc/95/79/36/483957936.db2.gz HCVXVKZMVAREGG-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000562009085 483957930 /nfs/dbraw/zinc/95/79/30/483957930.db2.gz HCVXVKZMVAREGG-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000562009085 483957923 /nfs/dbraw/zinc/95/79/23/483957923.db2.gz HCVXVKZMVAREGG-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000562009086 483959666 /nfs/dbraw/zinc/95/96/66/483959666.db2.gz HCVXVKZMVAREGG-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000562009086 483959660 /nfs/dbraw/zinc/95/96/60/483959660.db2.gz HCVXVKZMVAREGG-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000562009086 483959654 /nfs/dbraw/zinc/95/96/54/483959654.db2.gz HCVXVKZMVAREGG-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000562009086 483959649 /nfs/dbraw/zinc/95/96/49/483959649.db2.gz HCVXVKZMVAREGG-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@H+]1C ZINC000562009087 483958464 /nfs/dbraw/zinc/95/84/64/483958464.db2.gz HCVXVKZMVAREGG-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@@H+]1C ZINC000562009087 483958459 /nfs/dbraw/zinc/95/84/59/483958459.db2.gz HCVXVKZMVAREGG-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000562009087 483958450 /nfs/dbraw/zinc/95/84/50/483958450.db2.gz HCVXVKZMVAREGG-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000562009087 483958444 /nfs/dbraw/zinc/95/84/44/483958444.db2.gz HCVXVKZMVAREGG-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000562009088 483957898 /nfs/dbraw/zinc/95/78/98/483957898.db2.gz HCVXVKZMVAREGG-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000562009088 483957893 /nfs/dbraw/zinc/95/78/93/483957893.db2.gz HCVXVKZMVAREGG-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000562009088 483957888 /nfs/dbraw/zinc/95/78/88/483957888.db2.gz HCVXVKZMVAREGG-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000562009088 483957882 /nfs/dbraw/zinc/95/78/82/483957882.db2.gz HCVXVKZMVAREGG-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562009599 483958174 /nfs/dbraw/zinc/95/81/74/483958174.db2.gz AXAWOWITOFMUNY-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562009600 483958161 /nfs/dbraw/zinc/95/81/61/483958161.db2.gz AXAWOWITOFMUNY-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562010097 483959941 /nfs/dbraw/zinc/95/99/41/483959941.db2.gz FGVPCBGIDLMVJO-BZUAXINKSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562010098 483959588 /nfs/dbraw/zinc/95/95/88/483959588.db2.gz FGVPCBGIDLMVJO-OAGGEKHMSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562010099 483959802 /nfs/dbraw/zinc/95/98/02/483959802.db2.gz FGVPCBGIDLMVJO-OWCLPIDISA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562010099 483959793 /nfs/dbraw/zinc/95/97/93/483959793.db2.gz FGVPCBGIDLMVJO-OWCLPIDISA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010099 483959783 /nfs/dbraw/zinc/95/97/83/483959783.db2.gz FGVPCBGIDLMVJO-OWCLPIDISA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562010100 483959053 /nfs/dbraw/zinc/95/90/53/483959053.db2.gz FGVPCBGIDLMVJO-XHSDSOJGSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562010100 483959047 /nfs/dbraw/zinc/95/90/47/483959047.db2.gz FGVPCBGIDLMVJO-XHSDSOJGSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010100 483959041 /nfs/dbraw/zinc/95/90/41/483959041.db2.gz FGVPCBGIDLMVJO-XHSDSOJGSA-N 2 1 353.511 -0.273 20 0 FBADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562010103 483960050 /nfs/dbraw/zinc/96/00/50/483960050.db2.gz FPMFXAYQOZCXGZ-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562010103 483960041 /nfs/dbraw/zinc/96/00/41/483960041.db2.gz FPMFXAYQOZCXGZ-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010103 483960033 /nfs/dbraw/zinc/96/00/33/483960033.db2.gz FPMFXAYQOZCXGZ-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562010104 483959265 /nfs/dbraw/zinc/95/92/65/483959265.db2.gz FPMFXAYQOZCXGZ-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562010104 483959260 /nfs/dbraw/zinc/95/92/60/483959260.db2.gz FPMFXAYQOZCXGZ-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010104 483959254 /nfs/dbraw/zinc/95/92/54/483959254.db2.gz FPMFXAYQOZCXGZ-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562010105 483958971 /nfs/dbraw/zinc/95/89/71/483958971.db2.gz FPMFXAYQOZCXGZ-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562010105 483958967 /nfs/dbraw/zinc/95/89/67/483958967.db2.gz FPMFXAYQOZCXGZ-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010105 483958960 /nfs/dbraw/zinc/95/89/60/483958960.db2.gz FPMFXAYQOZCXGZ-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562010106 483959994 /nfs/dbraw/zinc/95/99/94/483959994.db2.gz FPMFXAYQOZCXGZ-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562010106 483959986 /nfs/dbraw/zinc/95/99/86/483959986.db2.gz FPMFXAYQOZCXGZ-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010106 483959982 /nfs/dbraw/zinc/95/99/82/483959982.db2.gz FPMFXAYQOZCXGZ-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000562011156 483958533 /nfs/dbraw/zinc/95/85/33/483958533.db2.gz RVDLXQIHOIZGJC-KRWDZBQOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000562011157 483959164 /nfs/dbraw/zinc/95/91/64/483959164.db2.gz RVDLXQIHOIZGJC-QGZVFWFLSA-N 2 1 367.538 -0.071 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000562011522 483959867 /nfs/dbraw/zinc/95/98/67/483959867.db2.gz ZBRNDEAKNIVQSW-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000562011522 483959859 /nfs/dbraw/zinc/95/98/59/483959859.db2.gz ZBRNDEAKNIVQSW-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000562011522 483959855 /nfs/dbraw/zinc/95/98/55/483959855.db2.gz ZBRNDEAKNIVQSW-CABCVRRESA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000562011523 483958591 /nfs/dbraw/zinc/95/85/91/483958591.db2.gz ZBRNDEAKNIVQSW-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000562011523 483958587 /nfs/dbraw/zinc/95/85/87/483958587.db2.gz ZBRNDEAKNIVQSW-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000562011523 483958578 /nfs/dbraw/zinc/95/85/78/483958578.db2.gz ZBRNDEAKNIVQSW-GJZGRUSLSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000562011524 483958930 /nfs/dbraw/zinc/95/89/30/483958930.db2.gz ZBRNDEAKNIVQSW-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000562011524 483958923 /nfs/dbraw/zinc/95/89/23/483958923.db2.gz ZBRNDEAKNIVQSW-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000562011524 483958916 /nfs/dbraw/zinc/95/89/16/483958916.db2.gz ZBRNDEAKNIVQSW-HUUCEWRRSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000562011525 483957829 /nfs/dbraw/zinc/95/78/29/483957829.db2.gz ZBRNDEAKNIVQSW-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000562011525 483957820 /nfs/dbraw/zinc/95/78/20/483957820.db2.gz ZBRNDEAKNIVQSW-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000562011525 483957813 /nfs/dbraw/zinc/95/78/13/483957813.db2.gz ZBRNDEAKNIVQSW-LSDHHAIUSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562013494 483960605 /nfs/dbraw/zinc/96/06/05/483960605.db2.gz WJIOUIUPRAOHBG-CVEARBPZSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562013498 483961097 /nfs/dbraw/zinc/96/10/97/483961097.db2.gz WJIOUIUPRAOHBG-HOTGVXAUSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562013500 483961870 /nfs/dbraw/zinc/96/18/70/483961870.db2.gz WJIOUIUPRAOHBG-HZPDHXFCSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562013501 483962006 /nfs/dbraw/zinc/96/20/06/483962006.db2.gz WJIOUIUPRAOHBG-JKSUJKDBSA-N 2 1 351.495 -0.707 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562696918 484020616 /nfs/dbraw/zinc/02/06/16/484020616.db2.gz RTWFINLTJBNMSK-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562696918 484020609 /nfs/dbraw/zinc/02/06/09/484020609.db2.gz RTWFINLTJBNMSK-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562696925 484020337 /nfs/dbraw/zinc/02/03/37/484020337.db2.gz RTWFINLTJBNMSK-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562696925 484020330 /nfs/dbraw/zinc/02/03/30/484020330.db2.gz RTWFINLTJBNMSK-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562696927 484019585 /nfs/dbraw/zinc/01/95/85/484019585.db2.gz RTWFINLTJBNMSK-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562696927 484019578 /nfs/dbraw/zinc/01/95/78/484019578.db2.gz RTWFINLTJBNMSK-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562696929 484020381 /nfs/dbraw/zinc/02/03/81/484020381.db2.gz RTWFINLTJBNMSK-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562696929 484020375 /nfs/dbraw/zinc/02/03/75/484020375.db2.gz RTWFINLTJBNMSK-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP O=C(NCC[N@H+]1CCc2sccc2C1)NCC(=O)N1CC[NH2+]CC1 ZINC000562803956 484028350 /nfs/dbraw/zinc/02/83/50/484028350.db2.gz VALSASRIARFSTO-UHFFFAOYSA-N 2 1 351.476 -0.163 20 0 FBADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NCC(=O)N1CC[NH2+]CC1 ZINC000562803956 484028342 /nfs/dbraw/zinc/02/83/42/484028342.db2.gz VALSASRIARFSTO-UHFFFAOYSA-N 2 1 351.476 -0.163 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000562814086 484029290 /nfs/dbraw/zinc/02/92/90/484029290.db2.gz FCCMNBOBKGMEBE-INIZCTEOSA-N 2 1 368.526 -0.524 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000562814086 484029286 /nfs/dbraw/zinc/02/92/86/484029286.db2.gz FCCMNBOBKGMEBE-INIZCTEOSA-N 2 1 368.526 -0.524 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814086 484029279 /nfs/dbraw/zinc/02/92/79/484029279.db2.gz FCCMNBOBKGMEBE-INIZCTEOSA-N 3 1 368.526 -0.524 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000562814087 484029395 /nfs/dbraw/zinc/02/93/95/484029395.db2.gz FCCMNBOBKGMEBE-MRXNPFEDSA-N 2 1 368.526 -0.524 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000562814087 484029389 /nfs/dbraw/zinc/02/93/89/484029389.db2.gz FCCMNBOBKGMEBE-MRXNPFEDSA-N 2 1 368.526 -0.524 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814087 484029383 /nfs/dbraw/zinc/02/93/83/484029383.db2.gz FCCMNBOBKGMEBE-MRXNPFEDSA-N 3 1 368.526 -0.524 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000562828965 484033720 /nfs/dbraw/zinc/03/37/20/484033720.db2.gz XYYASMSUCBCXFT-GOSISDBHSA-N 2 1 373.501 -0.348 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000562828966 484033024 /nfs/dbraw/zinc/03/30/24/484033024.db2.gz XYYASMSUCBCXFT-SFHVURJKSA-N 2 1 373.501 -0.348 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000562829160 484033163 /nfs/dbraw/zinc/03/31/63/484033163.db2.gz YPTDVDPWCZZNQR-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000562829161 484032742 /nfs/dbraw/zinc/03/27/42/484032742.db2.gz YPTDVDPWCZZNQR-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000562833633 484033184 /nfs/dbraw/zinc/03/31/84/484033184.db2.gz VTBAJLYHCAQXAI-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000562857520 484034885 /nfs/dbraw/zinc/03/48/85/484034885.db2.gz PXDNXUVZUKHHHM-HNNXBMFYSA-N 2 1 355.527 -0.073 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000562857520 484034876 /nfs/dbraw/zinc/03/48/76/484034876.db2.gz PXDNXUVZUKHHHM-HNNXBMFYSA-N 3 1 355.527 -0.073 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000562857524 484035834 /nfs/dbraw/zinc/03/58/34/484035834.db2.gz PXDNXUVZUKHHHM-OAHLLOKOSA-N 2 1 355.527 -0.073 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000562857524 484035828 /nfs/dbraw/zinc/03/58/28/484035828.db2.gz PXDNXUVZUKHHHM-OAHLLOKOSA-N 3 1 355.527 -0.073 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957815 484066708 /nfs/dbraw/zinc/06/67/08/484066708.db2.gz RFYVISRVJUCOJM-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957816 484067951 /nfs/dbraw/zinc/06/79/51/484067951.db2.gz RFYVISRVJUCOJM-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000562961651 484070193 /nfs/dbraw/zinc/07/01/93/484070193.db2.gz ITSXBTFGWKLHAG-BHYGNILZSA-N 2 1 363.506 -0.437 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@H](C[NH3+])C1 ZINC000562961652 484069752 /nfs/dbraw/zinc/06/97/52/484069752.db2.gz ITSXBTFGWKLHAG-DJIMGWMZSA-N 2 1 363.506 -0.437 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000562961653 484069542 /nfs/dbraw/zinc/06/95/42/484069542.db2.gz ITSXBTFGWKLHAG-HYVNUMGLSA-N 2 1 363.506 -0.437 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@H](C[NH3+])C1 ZINC000562961654 484069505 /nfs/dbraw/zinc/06/95/05/484069505.db2.gz ITSXBTFGWKLHAG-USXIJHARSA-N 2 1 363.506 -0.437 20 0 FBADMP COc1ccc(C[N@H+]2CCCN(C(=O)Cn3nnnc3CN)CC2)cc1 ZINC000563078785 483722005 /nfs/dbraw/zinc/72/20/05/483722005.db2.gz BXZGWAXXTKXJGT-UHFFFAOYSA-N 2 1 359.434 -0.125 20 0 FBADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563114060 483860130 /nfs/dbraw/zinc/86/01/30/483860130.db2.gz UYLMMTKZCLXLDA-CABCVRRESA-N 2 1 358.508 -0.270 20 0 FBADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563114062 483859955 /nfs/dbraw/zinc/85/99/55/483859955.db2.gz UYLMMTKZCLXLDA-GJZGRUSLSA-N 2 1 358.508 -0.270 20 0 FBADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563114063 483860111 /nfs/dbraw/zinc/86/01/11/483860111.db2.gz UYLMMTKZCLXLDA-HUUCEWRRSA-N 2 1 358.508 -0.270 20 0 FBADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563114064 483859997 /nfs/dbraw/zinc/85/99/97/483859997.db2.gz UYLMMTKZCLXLDA-LSDHHAIUSA-N 2 1 358.508 -0.270 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563141080 483866320 /nfs/dbraw/zinc/86/63/20/483866320.db2.gz AVEIQIPCVUGJDY-CHWSQXEVSA-N 2 1 355.483 -0.665 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563141085 483866175 /nfs/dbraw/zinc/86/61/75/483866175.db2.gz AVEIQIPCVUGJDY-OLZOCXBDSA-N 2 1 355.483 -0.665 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000563141086 483866133 /nfs/dbraw/zinc/86/61/33/483866133.db2.gz AVEIQIPCVUGJDY-QWHCGFSZSA-N 2 1 355.483 -0.665 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000563141087 483866160 /nfs/dbraw/zinc/86/61/60/483866160.db2.gz AVEIQIPCVUGJDY-STQMWFEESA-N 2 1 355.483 -0.665 20 0 FBADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000563141712 483865630 /nfs/dbraw/zinc/86/56/30/483865630.db2.gz HAQVOMZXRWCROS-KRWDZBQOSA-N 2 1 360.458 -0.090 20 0 FBADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000563141717 483865667 /nfs/dbraw/zinc/86/56/67/483865667.db2.gz HAQVOMZXRWCROS-QGZVFWFLSA-N 2 1 360.458 -0.090 20 0 FBADMP C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563160822 483889495 /nfs/dbraw/zinc/88/94/95/483889495.db2.gz SVYNGTDTDINKBB-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563160832 483889631 /nfs/dbraw/zinc/88/96/31/483889631.db2.gz SVYNGTDTDINKBB-OAHLLOKOSA-N 3 1 365.522 -0.176 20 0 FBADMP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563161150 483891185 /nfs/dbraw/zinc/89/11/85/483891185.db2.gz RRCQMOBQKHGXIN-MRXNPFEDSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214926 483921160 /nfs/dbraw/zinc/92/11/60/483921160.db2.gz KSMDNGXZYOJSEG-DLBZAZTESA-N 2 1 365.522 -0.460 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214931 483920795 /nfs/dbraw/zinc/92/07/95/483920795.db2.gz KSMDNGXZYOJSEG-IAGOWNOFSA-N 2 1 365.522 -0.460 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214933 483919906 /nfs/dbraw/zinc/91/99/06/483919906.db2.gz KSMDNGXZYOJSEG-IRXDYDNUSA-N 2 1 365.522 -0.460 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214935 483920493 /nfs/dbraw/zinc/92/04/93/483920493.db2.gz KSMDNGXZYOJSEG-SJORKVTESA-N 2 1 365.522 -0.460 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000563292414 483966531 /nfs/dbraw/zinc/96/65/31/483966531.db2.gz PANWUSUFYLBTBO-KRWDZBQOSA-N 2 1 367.538 -0.038 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000563292416 483965987 /nfs/dbraw/zinc/96/59/87/483965987.db2.gz PANWUSUFYLBTBO-QGZVFWFLSA-N 2 1 367.538 -0.038 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000563302942 483974363 /nfs/dbraw/zinc/97/43/63/483974363.db2.gz QFCDKKXRPHDHNT-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000563302945 483974704 /nfs/dbraw/zinc/97/47/04/483974704.db2.gz QFCDKKXRPHDHNT-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000563321768 484060188 /nfs/dbraw/zinc/06/01/88/484060188.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000563321768 484060182 /nfs/dbraw/zinc/06/01/82/484060182.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000563321768 484060172 /nfs/dbraw/zinc/06/01/72/484060172.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000563321770 484061235 /nfs/dbraw/zinc/06/12/35/484061235.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000563321770 484061229 /nfs/dbraw/zinc/06/12/29/484061229.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000563321770 484061217 /nfs/dbraw/zinc/06/12/17/484061217.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(CO)CO)CC2)cc1 ZINC000563361499 484068960 /nfs/dbraw/zinc/06/89/60/484068960.db2.gz JLNWBLUDONCNDA-UHFFFAOYSA-N 2 1 351.447 -0.328 20 0 FBADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(CO)CO)CC2)cc1 ZINC000563361499 484068950 /nfs/dbraw/zinc/06/89/50/484068950.db2.gz JLNWBLUDONCNDA-UHFFFAOYSA-N 2 1 351.447 -0.328 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000563386710 484076160 /nfs/dbraw/zinc/07/61/60/484076160.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563386710 484076154 /nfs/dbraw/zinc/07/61/54/484076154.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563386710 484076147 /nfs/dbraw/zinc/07/61/47/484076147.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000563386712 484075874 /nfs/dbraw/zinc/07/58/74/484075874.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563386712 484075870 /nfs/dbraw/zinc/07/58/70/484075870.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563386712 484075865 /nfs/dbraw/zinc/07/58/65/484075865.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000563386714 484075920 /nfs/dbraw/zinc/07/59/20/484075920.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563386714 484075914 /nfs/dbraw/zinc/07/59/14/484075914.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563386714 484075907 /nfs/dbraw/zinc/07/59/07/484075907.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000563386717 484075580 /nfs/dbraw/zinc/07/55/80/484075580.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563386717 484075572 /nfs/dbraw/zinc/07/55/72/484075572.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563386717 484075565 /nfs/dbraw/zinc/07/55/65/484075565.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000563453288 484107857 /nfs/dbraw/zinc/10/78/57/484107857.db2.gz BYLBVDWZTZKCBO-INIZCTEOSA-N 2 1 373.457 -0.832 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453888 484107575 /nfs/dbraw/zinc/10/75/75/484107575.db2.gz HWCCMYSFYGSQLW-HNNXBMFYSA-N 2 1 360.462 -0.812 20 0 FBADMP Cc1cc(C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n[nH]1 ZINC000563467736 484121256 /nfs/dbraw/zinc/12/12/56/484121256.db2.gz CKTXJFFFMGREQY-CYBMUJFWSA-N 2 1 352.483 -0.283 20 0 FBADMP Cc1cc(C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n[nH]1 ZINC000563467740 484121200 /nfs/dbraw/zinc/12/12/00/484121200.db2.gz CKTXJFFFMGREQY-ZDUSSCGKSA-N 2 1 352.483 -0.283 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000563548507 484141448 /nfs/dbraw/zinc/14/14/48/484141448.db2.gz DYQJXRCNJKSVBT-UHFFFAOYSA-N 2 1 369.510 -0.002 20 0 FBADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563600663 661725065 /nfs/dbraw/zinc/72/50/65/661725065.db2.gz LAKALTPEQZILTC-AWEZNQCLSA-N 2 1 373.523 -0.607 20 0 FBADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563600664 661725114 /nfs/dbraw/zinc/72/51/14/661725114.db2.gz LAKALTPEQZILTC-CQSZACIVSA-N 2 1 373.523 -0.607 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601026 661724924 /nfs/dbraw/zinc/72/49/24/661724924.db2.gz YBDRKYZOLHYXRW-CHWSQXEVSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601026 661724918 /nfs/dbraw/zinc/72/49/18/661724918.db2.gz YBDRKYZOLHYXRW-CHWSQXEVSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601029 484146763 /nfs/dbraw/zinc/14/67/63/484146763.db2.gz YBDRKYZOLHYXRW-OLZOCXBDSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601029 484146754 /nfs/dbraw/zinc/14/67/54/484146754.db2.gz YBDRKYZOLHYXRW-OLZOCXBDSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601030 661725141 /nfs/dbraw/zinc/72/51/41/661725141.db2.gz YBDRKYZOLHYXRW-QWHCGFSZSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601030 661725139 /nfs/dbraw/zinc/72/51/39/661725139.db2.gz YBDRKYZOLHYXRW-QWHCGFSZSA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601031 484147546 /nfs/dbraw/zinc/14/75/46/484147546.db2.gz YBDRKYZOLHYXRW-STQMWFEESA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563601031 484147542 /nfs/dbraw/zinc/14/75/42/484147542.db2.gz YBDRKYZOLHYXRW-STQMWFEESA-N 2 1 367.416 -0.470 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563639794 484180845 /nfs/dbraw/zinc/18/08/45/484180845.db2.gz IVYMRNAQHJJDMZ-DJIMGWMZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563639794 484180840 /nfs/dbraw/zinc/18/08/40/484180840.db2.gz IVYMRNAQHJJDMZ-DJIMGWMZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563639810 484180897 /nfs/dbraw/zinc/18/08/97/484180897.db2.gz IVYMRNAQHJJDMZ-OIISXLGYSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563639810 484180894 /nfs/dbraw/zinc/18/08/94/484180894.db2.gz IVYMRNAQHJJDMZ-OIISXLGYSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563639812 484180112 /nfs/dbraw/zinc/18/01/12/484180112.db2.gz IVYMRNAQHJJDMZ-UAGQMJEPSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563639812 484180102 /nfs/dbraw/zinc/18/01/02/484180102.db2.gz IVYMRNAQHJJDMZ-UAGQMJEPSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563639813 484180582 /nfs/dbraw/zinc/18/05/82/484180582.db2.gz IVYMRNAQHJJDMZ-USXIJHARSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563639813 484180579 /nfs/dbraw/zinc/18/05/79/484180579.db2.gz IVYMRNAQHJJDMZ-USXIJHARSA-N 2 1 360.458 -0.048 20 0 FBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000563645482 484182397 /nfs/dbraw/zinc/18/23/97/484182397.db2.gz WAKMHAOEMPLJOD-UHFFFAOYSA-N 2 1 359.474 -0.649 20 0 FBADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000563652098 484184197 /nfs/dbraw/zinc/18/41/97/484184197.db2.gz TVTQWLKIXIXULZ-HNNXBMFYSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000563652100 484183762 /nfs/dbraw/zinc/18/37/62/484183762.db2.gz TVTQWLKIXIXULZ-OAHLLOKOSA-N 2 1 355.527 -0.086 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000563660172 484186537 /nfs/dbraw/zinc/18/65/37/484186537.db2.gz IUCMPIACKQKXDI-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000563660801 484186753 /nfs/dbraw/zinc/18/67/53/484186753.db2.gz OQCLIXRKDOHQJV-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000563660823 484185981 /nfs/dbraw/zinc/18/59/81/484185981.db2.gz OQCLIXRKDOHQJV-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563667392 484187468 /nfs/dbraw/zinc/18/74/68/484187468.db2.gz RNRAZZIJZUNETE-UHFFFAOYSA-N 2 1 367.494 -0.744 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000563743790 484038982 /nfs/dbraw/zinc/03/89/82/484038982.db2.gz VBLXCYLMXQWJCG-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000563743791 484039168 /nfs/dbraw/zinc/03/91/68/484039168.db2.gz VBLXCYLMXQWJCG-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563875993 484075112 /nfs/dbraw/zinc/07/51/12/484075112.db2.gz SCOOVIWEHHCEJI-CRAIPNDOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563875994 484074903 /nfs/dbraw/zinc/07/49/03/484074903.db2.gz SCOOVIWEHHCEJI-MAUKXSAKSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563875995 484074925 /nfs/dbraw/zinc/07/49/25/484074925.db2.gz SCOOVIWEHHCEJI-QAPCUYQASA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563875996 484075449 /nfs/dbraw/zinc/07/54/49/484075449.db2.gz SCOOVIWEHHCEJI-YJBOKZPZSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000563884394 484081772 /nfs/dbraw/zinc/08/17/72/484081772.db2.gz OZJHVUOYKULFIA-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000563884394 484081764 /nfs/dbraw/zinc/08/17/64/484081764.db2.gz OZJHVUOYKULFIA-KRWDZBQOSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000563884395 484080656 /nfs/dbraw/zinc/08/06/56/484080656.db2.gz OZJHVUOYKULFIA-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000563884395 484080647 /nfs/dbraw/zinc/08/06/47/484080647.db2.gz OZJHVUOYKULFIA-QGZVFWFLSA-N 2 1 360.458 -0.175 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000563888347 484085337 /nfs/dbraw/zinc/08/53/37/484085337.db2.gz JHBXADSAAFPERF-ARFHVFGLSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000563888348 484084209 /nfs/dbraw/zinc/08/42/09/484084209.db2.gz JHBXADSAAFPERF-BZUAXINKSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000563888349 484084313 /nfs/dbraw/zinc/08/43/13/484084313.db2.gz JHBXADSAAFPERF-OAGGEKHMSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000563888351 484084374 /nfs/dbraw/zinc/08/43/74/484084374.db2.gz JHBXADSAAFPERF-XHSDSOJGSA-N 2 1 351.495 -0.580 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000563893528 484157596 /nfs/dbraw/zinc/15/75/96/484157596.db2.gz CQOHMWJVDPNFLJ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563966972 484535963 /nfs/dbraw/zinc/53/59/63/484535963.db2.gz NPPSWRZQRKVYDL-AWEZNQCLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563966972 484535958 /nfs/dbraw/zinc/53/59/58/484535958.db2.gz NPPSWRZQRKVYDL-AWEZNQCLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563966973 484535054 /nfs/dbraw/zinc/53/50/54/484535054.db2.gz NPPSWRZQRKVYDL-CQSZACIVSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563966973 484535047 /nfs/dbraw/zinc/53/50/47/484535047.db2.gz NPPSWRZQRKVYDL-CQSZACIVSA-N 2 1 354.495 -0.123 20 0 FBADMP NC(=O)C[C@@H]1COCC[N@@H+]1CCCCC[NH+]1CCOC[C@@H]1CC(N)=O ZINC000563971308 484536025 /nfs/dbraw/zinc/53/60/25/484536025.db2.gz OSGSJNWKLKMEGS-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1COCC[N@H+]1CCCCC[NH+]1CCOC[C@@H]1CC(N)=O ZINC000563971308 484536021 /nfs/dbraw/zinc/53/60/21/484536021.db2.gz OSGSJNWKLKMEGS-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000563971308 484536016 /nfs/dbraw/zinc/53/60/16/484536016.db2.gz OSGSJNWKLKMEGS-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000563971315 484535355 /nfs/dbraw/zinc/53/53/55/484535355.db2.gz OSGSJNWKLKMEGS-GJZGRUSLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000563971316 484535304 /nfs/dbraw/zinc/53/53/04/484535304.db2.gz OSGSJNWKLKMEGS-HUUCEWRRSA-N 2 1 356.467 -0.691 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563985512 484539188 /nfs/dbraw/zinc/53/91/88/484539188.db2.gz DOCPNPBZZBAZBD-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563985515 484539435 /nfs/dbraw/zinc/53/94/35/484539435.db2.gz DOCPNPBZZBAZBD-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563985516 484538880 /nfs/dbraw/zinc/53/88/80/484538880.db2.gz DOCPNPBZZBAZBD-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563985517 484539228 /nfs/dbraw/zinc/53/92/28/484539228.db2.gz DOCPNPBZZBAZBD-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000564064814 484675234 /nfs/dbraw/zinc/67/52/34/484675234.db2.gz JXOMTNXFXLJXLD-UHFFFAOYSA-N 2 1 359.474 -0.472 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123537 484686189 /nfs/dbraw/zinc/68/61/89/484686189.db2.gz JCOFPIAYWDKDFT-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123538 484686493 /nfs/dbraw/zinc/68/64/93/484686493.db2.gz JCOFPIAYWDKDFT-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000564163534 484300806 /nfs/dbraw/zinc/30/08/06/484300806.db2.gz TUVQCZFBPQXWIN-CXAGYDPISA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@]1(C(=O)OC)CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000564163553 484301090 /nfs/dbraw/zinc/30/10/90/484301090.db2.gz TUVQCZFBPQXWIN-DYVFJYSZSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@]1(C(=O)OC)CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000564163556 484300867 /nfs/dbraw/zinc/30/08/67/484300867.db2.gz TUVQCZFBPQXWIN-GUYCJALGSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@@]1(C(=O)OC)CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000564163559 484299883 /nfs/dbraw/zinc/29/98/83/484299883.db2.gz TUVQCZFBPQXWIN-SUMWQHHRSA-N 2 1 355.435 -0.423 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206155 484545087 /nfs/dbraw/zinc/54/50/87/484545087.db2.gz SZIIEPAMOATEQH-CABCVRRESA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206156 484544783 /nfs/dbraw/zinc/54/47/83/484544783.db2.gz SZIIEPAMOATEQH-GJZGRUSLSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206157 484545429 /nfs/dbraw/zinc/54/54/29/484545429.db2.gz SZIIEPAMOATEQH-HUUCEWRRSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206158 484545394 /nfs/dbraw/zinc/54/53/94/484545394.db2.gz SZIIEPAMOATEQH-LSDHHAIUSA-N 2 1 367.494 -0.696 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000564222572 484580868 /nfs/dbraw/zinc/58/08/68/484580868.db2.gz NLNGFJZDSORBDP-GASCZTMLSA-N 2 1 370.494 -0.873 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000564222572 484580864 /nfs/dbraw/zinc/58/08/64/484580864.db2.gz NLNGFJZDSORBDP-GASCZTMLSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000564232204 484599581 /nfs/dbraw/zinc/59/95/81/484599581.db2.gz ILZZSFABABPAPE-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000564232211 484600004 /nfs/dbraw/zinc/60/00/04/484600004.db2.gz ILZZSFABABPAPE-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000564232212 484599883 /nfs/dbraw/zinc/59/98/83/484599883.db2.gz ILZZSFABABPAPE-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000564232214 484600044 /nfs/dbraw/zinc/60/00/44/484600044.db2.gz ILZZSFABABPAPE-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(C)C ZINC000564387547 484970319 /nfs/dbraw/zinc/97/03/19/484970319.db2.gz LOUNSIDUFQNKRS-INIZCTEOSA-N 2 1 370.494 -0.310 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564388268 484971494 /nfs/dbraw/zinc/97/14/94/484971494.db2.gz WRUNDZJOOWQAHV-OAHLLOKOSA-N 2 1 369.510 -0.545 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000564543482 485152538 /nfs/dbraw/zinc/15/25/38/485152538.db2.gz SAWZMHUKIFPBCB-INIZCTEOSA-N 2 1 351.495 -0.589 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000564543483 485152308 /nfs/dbraw/zinc/15/23/08/485152308.db2.gz SAWZMHUKIFPBCB-MRXNPFEDSA-N 2 1 351.495 -0.589 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000564682332 485155659 /nfs/dbraw/zinc/15/56/59/485155659.db2.gz ZRZPCCOFHACIDA-UHFFFAOYSA-N 2 1 356.467 -0.996 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564715542 483918447 /nfs/dbraw/zinc/91/84/47/483918447.db2.gz LMFKVZWVMJZHFX-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564715546 483918869 /nfs/dbraw/zinc/91/88/69/483918869.db2.gz LMFKVZWVMJZHFX-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000564739135 483994671 /nfs/dbraw/zinc/99/46/71/483994671.db2.gz BXAXLBPHOFBOFX-UHFFFAOYSA-N 2 1 362.434 -0.865 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000564803566 485158117 /nfs/dbraw/zinc/15/81/17/485158117.db2.gz LQNVYLIYTVEOLZ-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000564803570 485158026 /nfs/dbraw/zinc/15/80/26/485158026.db2.gz LQNVYLIYTVEOLZ-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c1 ZINC000564827287 485157577 /nfs/dbraw/zinc/15/75/77/485157577.db2.gz WOPRWLDNAVUVGB-HNNXBMFYSA-N 2 1 360.462 -0.860 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c1 ZINC000564827288 485158127 /nfs/dbraw/zinc/15/81/27/485158127.db2.gz WOPRWLDNAVUVGB-OAHLLOKOSA-N 2 1 360.462 -0.860 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000564934326 485161092 /nfs/dbraw/zinc/16/10/92/485161092.db2.gz JBGKZWIDBYTFIO-AWEZNQCLSA-N 2 1 363.466 -0.734 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000564934327 485161391 /nfs/dbraw/zinc/16/13/91/485161391.db2.gz JBGKZWIDBYTFIO-CQSZACIVSA-N 2 1 363.466 -0.734 20 0 FBADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000564948180 485161128 /nfs/dbraw/zinc/16/11/28/485161128.db2.gz YWPYKTXQAMWIMR-UHFFFAOYSA-N 2 1 359.474 -0.648 20 0 FBADMP C[C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000564951437 485161629 /nfs/dbraw/zinc/16/16/29/485161629.db2.gz MAKMTKQZFOKTTJ-CYBMUJFWSA-N 2 1 358.508 -0.542 20 0 FBADMP C[C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000564951438 483850637 /nfs/dbraw/zinc/85/06/37/483850637.db2.gz MAKMTKQZFOKTTJ-ZDUSSCGKSA-N 2 1 358.508 -0.542 20 0 FBADMP [NH3+]CC1(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000564951556 485161057 /nfs/dbraw/zinc/16/10/57/485161057.db2.gz NCNWQESYCPFGMC-UHFFFAOYSA-N 2 1 358.508 -0.269 20 0 FBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564956091 485161020 /nfs/dbraw/zinc/16/10/20/485161020.db2.gz GRZNUFZQXJOGOS-HWOWSKLDSA-N 2 1 361.494 -0.024 20 0 FBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564956096 485161169 /nfs/dbraw/zinc/16/11/69/485161169.db2.gz GRZNUFZQXJOGOS-PCKAHOCUSA-N 2 1 361.494 -0.024 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974678 485162544 /nfs/dbraw/zinc/16/25/44/485162544.db2.gz FWSHZYMOUBCKRS-BBWFWOEESA-N 3 1 365.522 -0.236 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974679 485162467 /nfs/dbraw/zinc/16/24/67/485162467.db2.gz FWSHZYMOUBCKRS-BRWVUGGUSA-N 3 1 365.522 -0.236 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974680 485162235 /nfs/dbraw/zinc/16/22/35/485162235.db2.gz FWSHZYMOUBCKRS-GVDBMIGSSA-N 3 1 365.522 -0.236 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974681 485162180 /nfs/dbraw/zinc/16/21/80/485162180.db2.gz FWSHZYMOUBCKRS-ZACQAIPSSA-N 3 1 365.522 -0.236 20 0 FBADMP C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000564982099 485163120 /nfs/dbraw/zinc/16/31/20/485163120.db2.gz VPAVMOVEYDCBCO-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000564982100 485163063 /nfs/dbraw/zinc/16/30/63/485163063.db2.gz VPAVMOVEYDCBCO-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000564982101 485163128 /nfs/dbraw/zinc/16/31/28/485163128.db2.gz VPAVMOVEYDCBCO-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000564982102 485163453 /nfs/dbraw/zinc/16/34/53/485163453.db2.gz VPAVMOVEYDCBCO-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000564988672 485163195 /nfs/dbraw/zinc/16/31/95/485163195.db2.gz NHQRQMINRTZCLD-HZSPNIEDSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000564988672 485163191 /nfs/dbraw/zinc/16/31/91/485163191.db2.gz NHQRQMINRTZCLD-HZSPNIEDSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000564988673 485163046 /nfs/dbraw/zinc/16/30/46/485163046.db2.gz NHQRQMINRTZCLD-IHRRRGAJSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000564988673 485163041 /nfs/dbraw/zinc/16/30/41/485163041.db2.gz NHQRQMINRTZCLD-IHRRRGAJSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000564988674 485163535 /nfs/dbraw/zinc/16/35/35/485163535.db2.gz NHQRQMINRTZCLD-MELADBBJSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000564988674 485163534 /nfs/dbraw/zinc/16/35/34/485163534.db2.gz NHQRQMINRTZCLD-MELADBBJSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000564988675 485163237 /nfs/dbraw/zinc/16/32/37/485163237.db2.gz NHQRQMINRTZCLD-RDBSUJKOSA-N 2 1 372.491 -0.679 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000564988675 485163232 /nfs/dbraw/zinc/16/32/32/485163232.db2.gz NHQRQMINRTZCLD-RDBSUJKOSA-N 2 1 372.491 -0.679 20 0 FBADMP CN(C(=O)C1CC[NH2+]CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000564994067 483884985 /nfs/dbraw/zinc/88/49/85/483884985.db2.gz KHGNIQMYGDLTSY-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000565047089 485165546 /nfs/dbraw/zinc/16/55/46/485165546.db2.gz NEBPGVGHMAXCKV-DLBZAZTESA-N 2 1 373.505 -0.507 20 0 FBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000565047108 485165610 /nfs/dbraw/zinc/16/56/10/485165610.db2.gz NEBPGVGHMAXCKV-IAGOWNOFSA-N 2 1 373.505 -0.507 20 0 FBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000565047114 485164913 /nfs/dbraw/zinc/16/49/13/485164913.db2.gz NEBPGVGHMAXCKV-IRXDYDNUSA-N 2 1 373.505 -0.507 20 0 FBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000565047115 485164940 /nfs/dbraw/zinc/16/49/40/485164940.db2.gz NEBPGVGHMAXCKV-SJORKVTESA-N 2 1 373.505 -0.507 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000565076782 485166207 /nfs/dbraw/zinc/16/62/07/485166207.db2.gz JSDVXDDQBHFLPM-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000565076782 485166203 /nfs/dbraw/zinc/16/62/03/485166203.db2.gz JSDVXDDQBHFLPM-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000565076782 485166199 /nfs/dbraw/zinc/16/61/99/485166199.db2.gz JSDVXDDQBHFLPM-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000565076787 485166052 /nfs/dbraw/zinc/16/60/52/485166052.db2.gz JSDVXDDQBHFLPM-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000565076787 485166048 /nfs/dbraw/zinc/16/60/48/485166048.db2.gz JSDVXDDQBHFLPM-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000565076787 485166046 /nfs/dbraw/zinc/16/60/46/485166046.db2.gz JSDVXDDQBHFLPM-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000565122723 484020878 /nfs/dbraw/zinc/02/08/78/484020878.db2.gz LIEYJYDFHNLRLU-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000565124544 485168561 /nfs/dbraw/zinc/16/85/61/485168561.db2.gz ZJEBFPPLQSIGQM-HNNXBMFYSA-N 2 1 370.494 -0.702 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000565124545 485168761 /nfs/dbraw/zinc/16/87/61/485168761.db2.gz ZJEBFPPLQSIGQM-OAHLLOKOSA-N 2 1 370.494 -0.702 20 0 FBADMP C[NH+](C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000565184964 485169450 /nfs/dbraw/zinc/16/94/50/485169450.db2.gz GBCKPHIHKJZYEM-AWEZNQCLSA-N 2 1 371.507 -0.364 20 0 FBADMP C[NH+](C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000565184980 485169119 /nfs/dbraw/zinc/16/91/19/485169119.db2.gz GBCKPHIHKJZYEM-CQSZACIVSA-N 2 1 371.507 -0.364 20 0 FBADMP O=C(CC(O)CC(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000565202268 485170933 /nfs/dbraw/zinc/17/09/33/485170933.db2.gz YIEUQCCBHSQPCQ-UHFFFAOYSA-N 2 1 364.490 -0.116 20 0 FBADMP CN(C(=O)CC[NH2+]C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000565214407 485171465 /nfs/dbraw/zinc/17/14/65/485171465.db2.gz OJPQHOBKVQBJIA-UHFFFAOYSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCN([C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2ccccc2)CC1 ZINC000565240423 485172583 /nfs/dbraw/zinc/17/25/83/485172583.db2.gz WOVMNXQJSGYCRR-BZSNNMDCSA-N 2 1 371.485 -0.255 20 0 FBADMP C[NH+]1CCN([C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c2ccccc2)CC1 ZINC000565240424 485173261 /nfs/dbraw/zinc/17/32/61/485173261.db2.gz WOVMNXQJSGYCRR-KSZLIROESA-N 2 1 371.485 -0.255 20 0 FBADMP C[NH+]1CCN([C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2ccccc2)CC1 ZINC000565240425 485172549 /nfs/dbraw/zinc/17/25/49/485172549.db2.gz WOVMNXQJSGYCRR-KURKYZTESA-N 2 1 371.485 -0.255 20 0 FBADMP C[NH+]1CCN([C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2ccccc2)CC1 ZINC000565240426 485174584 /nfs/dbraw/zinc/17/45/84/485174584.db2.gz WOVMNXQJSGYCRR-SQNIBIBYSA-N 2 1 371.485 -0.255 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565293950 485176687 /nfs/dbraw/zinc/17/66/87/485176687.db2.gz FHVGZXQIOSYOSF-INIZCTEOSA-N 2 1 366.510 -0.770 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565293951 485177143 /nfs/dbraw/zinc/17/71/43/485177143.db2.gz FHVGZXQIOSYOSF-MRXNPFEDSA-N 2 1 366.510 -0.770 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CCC1 ZINC000565321659 485178541 /nfs/dbraw/zinc/17/85/41/485178541.db2.gz ZTHIKWMTPWRRIY-UHFFFAOYSA-N 2 1 353.511 -0.269 20 0 FBADMP O=C(C[NH2+]C1CC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000565542907 485186522 /nfs/dbraw/zinc/18/65/22/485186522.db2.gz FWYPCHQZRGDDGI-UHFFFAOYSA-N 2 1 352.479 -0.185 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000565546303 485185900 /nfs/dbraw/zinc/18/59/00/485185900.db2.gz ZDERKHFNHPTSFW-QGZVFWFLSA-N 2 1 353.511 -0.334 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000565553950 485185980 /nfs/dbraw/zinc/18/59/80/485185980.db2.gz PRZAXATTZFRESG-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000565553951 485186374 /nfs/dbraw/zinc/18/63/74/485186374.db2.gz PRZAXATTZFRESG-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000565604683 485187717 /nfs/dbraw/zinc/18/77/17/485187717.db2.gz UWPPXIHJERWHIR-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP O=S(=O)(CCCS(=O)(=O)N1CCn2cncc2C1)[N-]c1c[nH]cn1 ZINC000565609625 485188867 /nfs/dbraw/zinc/18/88/67/485188867.db2.gz PPHPCTZMDWVJEK-UHFFFAOYSA-N 2 1 374.448 -0.416 20 0 FBADMP O=C(CNC(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000565647514 485188577 /nfs/dbraw/zinc/18/85/77/485188577.db2.gz SZTSVUPXSKURPL-UHFFFAOYSA-N 2 1 359.474 -0.012 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000565647775 485188465 /nfs/dbraw/zinc/18/84/65/485188465.db2.gz PCUDRCOGVXMOHW-CRAIPNDOSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000565647776 485188611 /nfs/dbraw/zinc/18/86/11/485188611.db2.gz PCUDRCOGVXMOHW-MAUKXSAKSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000565647777 485188293 /nfs/dbraw/zinc/18/82/93/485188293.db2.gz PCUDRCOGVXMOHW-QAPCUYQASA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000565647778 485188672 /nfs/dbraw/zinc/18/86/72/485188672.db2.gz PCUDRCOGVXMOHW-YJBOKZPZSA-N 2 1 352.479 -0.327 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000565665417 485189847 /nfs/dbraw/zinc/18/98/47/485189847.db2.gz XHOADJRRQGERLO-UHFFFAOYSA-N 2 1 352.479 -0.103 20 0 FBADMP C[NH2+]CCc1ccccc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000565836169 485195136 /nfs/dbraw/zinc/19/51/36/485195136.db2.gz YCLJSNLVAJTMQB-UHFFFAOYSA-N 2 1 366.487 -0.492 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843039 485195398 /nfs/dbraw/zinc/19/53/98/485195398.db2.gz WYKXYTWFDBIDJF-AEFFLSMTSA-N 2 1 370.538 -0.010 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843041 485195560 /nfs/dbraw/zinc/19/55/60/485195560.db2.gz WYKXYTWFDBIDJF-FUHWJXTLSA-N 2 1 370.538 -0.010 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843042 485195285 /nfs/dbraw/zinc/19/52/85/485195285.db2.gz WYKXYTWFDBIDJF-SJLPKXTDSA-N 2 1 370.538 -0.010 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843043 485195073 /nfs/dbraw/zinc/19/50/73/485195073.db2.gz WYKXYTWFDBIDJF-WMZOPIPTSA-N 2 1 370.538 -0.010 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000565882965 485196271 /nfs/dbraw/zinc/19/62/71/485196271.db2.gz ZNGSIRSRZCGNAF-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP [NH3+]CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000566010416 485200404 /nfs/dbraw/zinc/20/04/04/485200404.db2.gz SQLAAXJSXDPTLP-INIZCTEOSA-N 2 1 352.479 -0.103 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000566021335 485201729 /nfs/dbraw/zinc/20/17/29/485201729.db2.gz UZHXCEDQRVTKLG-ILXRZTDVSA-N 2 1 353.467 -0.559 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000566021336 485202052 /nfs/dbraw/zinc/20/20/52/485202052.db2.gz UZHXCEDQRVTKLG-KFWWJZLASA-N 2 1 353.467 -0.559 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000566021337 485201855 /nfs/dbraw/zinc/20/18/55/485201855.db2.gz UZHXCEDQRVTKLG-QLFBSQMISA-N 2 1 353.467 -0.559 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000566021338 485201480 /nfs/dbraw/zinc/20/14/80/485201480.db2.gz UZHXCEDQRVTKLG-RBSFLKMASA-N 2 1 353.467 -0.559 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000566023494 485201648 /nfs/dbraw/zinc/20/16/48/485201648.db2.gz FTOUUGDDZKDEFX-CVEARBPZSA-N 2 1 355.527 -0.169 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000566023495 485201618 /nfs/dbraw/zinc/20/16/18/485201618.db2.gz FTOUUGDDZKDEFX-HOTGVXAUSA-N 2 1 355.527 -0.169 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000566023496 485202213 /nfs/dbraw/zinc/20/22/13/485202213.db2.gz FTOUUGDDZKDEFX-HZPDHXFCSA-N 2 1 355.527 -0.169 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000566023497 485201808 /nfs/dbraw/zinc/20/18/08/485201808.db2.gz FTOUUGDDZKDEFX-JKSUJKDBSA-N 2 1 355.527 -0.169 20 0 FBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000566108991 485204680 /nfs/dbraw/zinc/20/46/80/485204680.db2.gz IEKBTSGMWQWNAA-INIZCTEOSA-N 2 1 362.478 -0.440 20 0 FBADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000566108991 485204678 /nfs/dbraw/zinc/20/46/78/485204678.db2.gz IEKBTSGMWQWNAA-INIZCTEOSA-N 2 1 362.478 -0.440 20 0 FBADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000566108992 485204630 /nfs/dbraw/zinc/20/46/30/485204630.db2.gz IEKBTSGMWQWNAA-MRXNPFEDSA-N 2 1 362.478 -0.440 20 0 FBADMP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000566108992 485204626 /nfs/dbraw/zinc/20/46/26/485204626.db2.gz IEKBTSGMWQWNAA-MRXNPFEDSA-N 2 1 362.478 -0.440 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000566117328 485204177 /nfs/dbraw/zinc/20/41/77/485204177.db2.gz QRIVVGURYVBKII-AWEZNQCLSA-N 2 1 365.430 -0.091 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000566117333 485204481 /nfs/dbraw/zinc/20/44/81/485204481.db2.gz QRIVVGURYVBKII-CQSZACIVSA-N 2 1 365.430 -0.091 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566156974 485205685 /nfs/dbraw/zinc/20/56/85/485205685.db2.gz AWORTLUTCGFVOA-KBPBESRZSA-N 2 1 363.466 -0.653 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566156978 485205346 /nfs/dbraw/zinc/20/53/46/485205346.db2.gz AWORTLUTCGFVOA-KGLIPLIRSA-N 2 1 363.466 -0.653 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566156979 485205575 /nfs/dbraw/zinc/20/55/75/485205575.db2.gz AWORTLUTCGFVOA-UONOGXRCSA-N 2 1 363.466 -0.653 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566156981 485205705 /nfs/dbraw/zinc/20/57/05/485205705.db2.gz AWORTLUTCGFVOA-ZIAGYGMSSA-N 2 1 363.466 -0.653 20 0 FBADMP CN1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168853 485205818 /nfs/dbraw/zinc/20/58/18/485205818.db2.gz RADPORRTCUTVOE-GOSISDBHSA-N 2 1 373.501 -0.082 20 0 FBADMP CN1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168854 485205189 /nfs/dbraw/zinc/20/51/89/485205189.db2.gz RADPORRTCUTVOE-SFHVURJKSA-N 2 1 373.501 -0.082 20 0 FBADMP O=C(CCOC1C[NH2+]C1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000566170563 485205471 /nfs/dbraw/zinc/20/54/71/485205471.db2.gz NSHIPKZYEPFLEN-UHFFFAOYSA-N 2 1 360.458 -0.175 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178763 485206251 /nfs/dbraw/zinc/20/62/51/485206251.db2.gz BBYJNKDBWVOROL-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178766 485206603 /nfs/dbraw/zinc/20/66/03/485206603.db2.gz BBYJNKDBWVOROL-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178767 485206348 /nfs/dbraw/zinc/20/63/48/485206348.db2.gz BBYJNKDBWVOROL-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178768 485206165 /nfs/dbraw/zinc/20/61/65/485206165.db2.gz BBYJNKDBWVOROL-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP CC(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000566181295 485206828 /nfs/dbraw/zinc/20/68/28/485206828.db2.gz RIEXRQIUNVIWAZ-CVEARBPZSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000566181296 485206695 /nfs/dbraw/zinc/20/66/95/485206695.db2.gz RIEXRQIUNVIWAZ-HOTGVXAUSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000566181297 485206887 /nfs/dbraw/zinc/20/68/87/485206887.db2.gz RIEXRQIUNVIWAZ-HZPDHXFCSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000566181298 485206644 /nfs/dbraw/zinc/20/66/44/485206644.db2.gz RIEXRQIUNVIWAZ-JKSUJKDBSA-N 2 1 353.511 -0.367 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000566184389 485206942 /nfs/dbraw/zinc/20/69/42/485206942.db2.gz BLEORKHDQNPRFW-GFCCVEGCSA-N 2 1 350.423 -0.528 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000566184391 485206738 /nfs/dbraw/zinc/20/67/38/485206738.db2.gz BLEORKHDQNPRFW-LBPRGKRZSA-N 2 1 350.423 -0.528 20 0 FBADMP [NH3+]Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000566191521 485207825 /nfs/dbraw/zinc/20/78/25/485207825.db2.gz ABCVJOPFMCWIII-UHFFFAOYSA-N 2 1 367.475 -0.726 20 0 FBADMP C[NH2+][C@H](C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000566195328 485207471 /nfs/dbraw/zinc/20/74/71/485207471.db2.gz LEWZDINVNBINAX-HIFRSBDPSA-N 2 1 350.467 -0.213 20 0 FBADMP C[NH2+][C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000566195329 485207684 /nfs/dbraw/zinc/20/76/84/485207684.db2.gz LEWZDINVNBINAX-UKRRQHHQSA-N 2 1 350.467 -0.213 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566206697 485207713 /nfs/dbraw/zinc/20/77/13/485207713.db2.gz HKHXMMAUHFSSOT-BFIPOCKSSA-N 2 1 364.490 -0.058 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566206698 485207731 /nfs/dbraw/zinc/20/77/31/485207731.db2.gz HKHXMMAUHFSSOT-DZASIIFFSA-N 2 1 364.490 -0.058 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566206699 485208042 /nfs/dbraw/zinc/20/80/42/485208042.db2.gz HKHXMMAUHFSSOT-QHHYFVSCSA-N 2 1 364.490 -0.058 20 0 FBADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566206700 485208004 /nfs/dbraw/zinc/20/80/04/485208004.db2.gz HKHXMMAUHFSSOT-QRCPMIHRSA-N 2 1 364.490 -0.058 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566212513 485208858 /nfs/dbraw/zinc/20/88/58/485208858.db2.gz WJYIOSONRZWGEE-OWCLPIDISA-N 2 1 350.463 -0.623 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566212514 485208608 /nfs/dbraw/zinc/20/86/08/485208608.db2.gz WJYIOSONRZWGEE-XHSDSOJGSA-N 2 1 350.463 -0.623 20 0 FBADMP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(F)F ZINC000566251302 485211239 /nfs/dbraw/zinc/21/12/39/485211239.db2.gz RGSITYIMIVQFHJ-CHWSQXEVSA-N 2 1 362.421 -0.202 20 0 FBADMP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(F)F ZINC000566251305 485210886 /nfs/dbraw/zinc/21/08/86/485210886.db2.gz RGSITYIMIVQFHJ-OLZOCXBDSA-N 2 1 362.421 -0.202 20 0 FBADMP [NH3+]CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(F)F ZINC000566251306 485210807 /nfs/dbraw/zinc/21/08/07/485210807.db2.gz RGSITYIMIVQFHJ-QWHCGFSZSA-N 2 1 362.421 -0.202 20 0 FBADMP [NH3+]CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(F)F ZINC000566251307 485210926 /nfs/dbraw/zinc/21/09/26/485210926.db2.gz RGSITYIMIVQFHJ-STQMWFEESA-N 2 1 362.421 -0.202 20 0 FBADMP C[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000566253880 485211260 /nfs/dbraw/zinc/21/12/60/485211260.db2.gz SBFUTTRXEYAXFQ-CHWSQXEVSA-N 2 1 351.417 -0.425 20 0 FBADMP C[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000566253882 485211139 /nfs/dbraw/zinc/21/11/39/485211139.db2.gz SBFUTTRXEYAXFQ-OLZOCXBDSA-N 2 1 351.417 -0.425 20 0 FBADMP C[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000566253883 483855939 /nfs/dbraw/zinc/85/59/39/483855939.db2.gz SBFUTTRXEYAXFQ-QWHCGFSZSA-N 2 1 351.417 -0.425 20 0 FBADMP C[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000566253887 483856191 /nfs/dbraw/zinc/85/61/91/483856191.db2.gz SBFUTTRXEYAXFQ-STQMWFEESA-N 2 1 351.417 -0.425 20 0 FBADMP CC[NH+]1CCN(C(=O)CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000566286996 485211817 /nfs/dbraw/zinc/21/18/17/485211817.db2.gz VZYCVEGMKGNDLD-UHFFFAOYSA-N 2 1 363.462 -0.084 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566287114 485212526 /nfs/dbraw/zinc/21/25/26/485212526.db2.gz XYIAPABJHJNESG-INIZCTEOSA-N 2 1 373.457 -0.119 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566287116 485212408 /nfs/dbraw/zinc/21/24/08/485212408.db2.gz XYIAPABJHJNESG-MRXNPFEDSA-N 2 1 373.457 -0.119 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566379972 485215371 /nfs/dbraw/zinc/21/53/71/485215371.db2.gz YCSSPWKCAABUSI-UHFFFAOYSA-N 2 1 353.511 -0.284 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000566384920 485215923 /nfs/dbraw/zinc/21/59/23/485215923.db2.gz KUDFIFHNTBKTHZ-UHFFFAOYSA-N 2 1 367.494 -0.743 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000566441034 485218289 /nfs/dbraw/zinc/21/82/89/485218289.db2.gz ZETIQYBBDYBZRW-INIZCTEOSA-N 2 1 362.478 -0.177 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000566441035 485218082 /nfs/dbraw/zinc/21/80/82/485218082.db2.gz ZETIQYBBDYBZRW-MRXNPFEDSA-N 2 1 362.478 -0.177 20 0 FBADMP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(=O)NCC[NH+](C)C ZINC000566462439 485218595 /nfs/dbraw/zinc/21/85/95/485218595.db2.gz NQHKOYHOSRTRPJ-LLVKDONJSA-N 2 1 361.450 -0.170 20 0 FBADMP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(=O)NCC[NH+](C)C ZINC000566462440 485219281 /nfs/dbraw/zinc/21/92/81/485219281.db2.gz NQHKOYHOSRTRPJ-NSHDSACASA-N 2 1 361.450 -0.170 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000566510978 485221703 /nfs/dbraw/zinc/22/17/03/485221703.db2.gz FYMOHAKWQWTKFF-CVEARBPZSA-N 2 1 373.457 -0.995 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000566510979 485220912 /nfs/dbraw/zinc/22/09/12/485220912.db2.gz FYMOHAKWQWTKFF-HOTGVXAUSA-N 2 1 373.457 -0.995 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000566510980 485220796 /nfs/dbraw/zinc/22/07/96/485220796.db2.gz FYMOHAKWQWTKFF-HZPDHXFCSA-N 2 1 373.457 -0.995 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000566510981 485221652 /nfs/dbraw/zinc/22/16/52/485221652.db2.gz FYMOHAKWQWTKFF-JKSUJKDBSA-N 2 1 373.457 -0.995 20 0 FBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512367 485222962 /nfs/dbraw/zinc/22/29/62/485222962.db2.gz DYYCPTJIDAMERZ-DLBZAZTESA-N 2 1 357.458 -0.002 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512369 485222811 /nfs/dbraw/zinc/22/28/11/485222811.db2.gz DYYCPTJIDAMERZ-IAGOWNOFSA-N 2 1 357.458 -0.002 20 0 FBADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512373 485222584 /nfs/dbraw/zinc/22/25/84/485222584.db2.gz DYYCPTJIDAMERZ-IRXDYDNUSA-N 2 1 357.458 -0.002 20 0 FBADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512374 485222659 /nfs/dbraw/zinc/22/26/59/485222659.db2.gz DYYCPTJIDAMERZ-SJORKVTESA-N 2 1 357.458 -0.002 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000566561867 485224247 /nfs/dbraw/zinc/22/42/47/485224247.db2.gz UESBIWHAKFYKQW-KRWDZBQOSA-N 2 1 374.485 -0.014 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000566561868 485224096 /nfs/dbraw/zinc/22/40/96/485224096.db2.gz UESBIWHAKFYKQW-QGZVFWFLSA-N 2 1 374.485 -0.014 20 0 FBADMP Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000566635192 485226227 /nfs/dbraw/zinc/22/62/27/485226227.db2.gz PULJKSAMFKIEDS-HNNXBMFYSA-N 2 1 374.489 -0.335 20 0 FBADMP Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000566635194 485226210 /nfs/dbraw/zinc/22/62/10/485226210.db2.gz PULJKSAMFKIEDS-OAHLLOKOSA-N 2 1 374.489 -0.335 20 0 FBADMP O=C(CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000566728578 485228903 /nfs/dbraw/zinc/22/89/03/485228903.db2.gz HEWCFFFMHOTPPO-UHFFFAOYSA-N 2 1 365.478 -0.989 20 0 FBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000566739141 485229621 /nfs/dbraw/zinc/22/96/21/485229621.db2.gz QDDUKVQDURAZKX-IYBDPMFKSA-N 2 1 352.479 -0.199 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566747437 483979318 /nfs/dbraw/zinc/97/93/18/483979318.db2.gz UACMMCJMMAANTC-UHFFFAOYSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000566754233 485230404 /nfs/dbraw/zinc/23/04/04/485230404.db2.gz XSZNDSUOFRFJFP-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000566754233 485230401 /nfs/dbraw/zinc/23/04/01/485230401.db2.gz XSZNDSUOFRFJFP-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754233 485230397 /nfs/dbraw/zinc/23/03/97/485230397.db2.gz XSZNDSUOFRFJFP-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000566754234 485230952 /nfs/dbraw/zinc/23/09/52/485230952.db2.gz XSZNDSUOFRFJFP-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000566754234 485230948 /nfs/dbraw/zinc/23/09/48/485230948.db2.gz XSZNDSUOFRFJFP-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754234 485230941 /nfs/dbraw/zinc/23/09/41/485230941.db2.gz XSZNDSUOFRFJFP-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000566754235 485230771 /nfs/dbraw/zinc/23/07/71/485230771.db2.gz XSZNDSUOFRFJFP-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000566754235 485230763 /nfs/dbraw/zinc/23/07/63/485230763.db2.gz XSZNDSUOFRFJFP-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754235 485230761 /nfs/dbraw/zinc/23/07/61/485230761.db2.gz XSZNDSUOFRFJFP-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000566754236 485231266 /nfs/dbraw/zinc/23/12/66/485231266.db2.gz XSZNDSUOFRFJFP-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000566754236 485231263 /nfs/dbraw/zinc/23/12/63/485231263.db2.gz XSZNDSUOFRFJFP-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754236 485231258 /nfs/dbraw/zinc/23/12/58/485231258.db2.gz XSZNDSUOFRFJFP-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000566810645 485231711 /nfs/dbraw/zinc/23/17/11/485231711.db2.gz INYSEFOPOCEPEI-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000566810645 485231705 /nfs/dbraw/zinc/23/17/05/485231705.db2.gz INYSEFOPOCEPEI-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000566810656 485231540 /nfs/dbraw/zinc/23/15/40/485231540.db2.gz INYSEFOPOCEPEI-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000566810656 485231538 /nfs/dbraw/zinc/23/15/38/485231538.db2.gz INYSEFOPOCEPEI-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000566822863 485231637 /nfs/dbraw/zinc/23/16/37/485231637.db2.gz AJIBAFMERZDXLE-INIZCTEOSA-N 2 1 368.526 -0.349 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000566822863 485231633 /nfs/dbraw/zinc/23/16/33/485231633.db2.gz AJIBAFMERZDXLE-INIZCTEOSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000566822863 485231630 /nfs/dbraw/zinc/23/16/30/485231630.db2.gz AJIBAFMERZDXLE-INIZCTEOSA-N 2 1 368.526 -0.349 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000566822869 485231677 /nfs/dbraw/zinc/23/16/77/485231677.db2.gz AJIBAFMERZDXLE-MRXNPFEDSA-N 2 1 368.526 -0.349 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000566822869 485231672 /nfs/dbraw/zinc/23/16/72/485231672.db2.gz AJIBAFMERZDXLE-MRXNPFEDSA-N 2 1 368.526 -0.349 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000566822869 485231667 /nfs/dbraw/zinc/23/16/67/485231667.db2.gz AJIBAFMERZDXLE-MRXNPFEDSA-N 2 1 368.526 -0.349 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000566858381 485232957 /nfs/dbraw/zinc/23/29/57/485232957.db2.gz NGMATCQJGAVROI-ARFHVFGLSA-N 2 1 351.495 -0.722 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000566858387 485233795 /nfs/dbraw/zinc/23/37/95/485233795.db2.gz NGMATCQJGAVROI-HRCADAONSA-N 2 1 351.495 -0.722 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000566858388 485232747 /nfs/dbraw/zinc/23/27/47/485232747.db2.gz NGMATCQJGAVROI-JYJNAYRXSA-N 2 1 351.495 -0.722 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000566858389 485233020 /nfs/dbraw/zinc/23/30/20/485233020.db2.gz NGMATCQJGAVROI-XHSDSOJGSA-N 2 1 351.495 -0.722 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000566870913 485234845 /nfs/dbraw/zinc/23/48/45/485234845.db2.gz UHHCSGPOJXASNV-UHFFFAOYSA-N 2 1 350.467 -0.050 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)C2CCOCC2)C1 ZINC000566875459 485234466 /nfs/dbraw/zinc/23/44/66/485234466.db2.gz BQMTZGVLBIDQPC-DLBZAZTESA-N 2 1 357.495 -0.164 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)C2CCOCC2)C1 ZINC000566875460 485234650 /nfs/dbraw/zinc/23/46/50/485234650.db2.gz BQMTZGVLBIDQPC-IAGOWNOFSA-N 2 1 357.495 -0.164 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000566875461 485235041 /nfs/dbraw/zinc/23/50/41/485235041.db2.gz BQMTZGVLBIDQPC-IRXDYDNUSA-N 2 1 357.495 -0.164 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000566875462 485234028 /nfs/dbraw/zinc/23/40/28/485234028.db2.gz BQMTZGVLBIDQPC-SJORKVTESA-N 2 1 357.495 -0.164 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000566931300 485235764 /nfs/dbraw/zinc/23/57/64/485235764.db2.gz QAXCAZCXDMRDAI-AWEZNQCLSA-N 2 1 355.483 -0.900 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000566931301 485235777 /nfs/dbraw/zinc/23/57/77/485235777.db2.gz QAXCAZCXDMRDAI-CQSZACIVSA-N 2 1 355.483 -0.900 20 0 FBADMP CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000566984408 485236893 /nfs/dbraw/zinc/23/68/93/485236893.db2.gz IXDYFKROWGHKJP-ARFHVFGLSA-N 2 1 352.479 -0.106 20 0 FBADMP CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000566984409 485236943 /nfs/dbraw/zinc/23/69/43/485236943.db2.gz IXDYFKROWGHKJP-BZUAXINKSA-N 2 1 352.479 -0.106 20 0 FBADMP CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000566984410 485236995 /nfs/dbraw/zinc/23/69/95/485236995.db2.gz IXDYFKROWGHKJP-HRCADAONSA-N 2 1 352.479 -0.106 20 0 FBADMP CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000566984411 485237207 /nfs/dbraw/zinc/23/72/07/485237207.db2.gz IXDYFKROWGHKJP-OWCLPIDISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000566990806 485238449 /nfs/dbraw/zinc/23/84/49/485238449.db2.gz AEKWNFVKFAPQEW-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000566990806 485238445 /nfs/dbraw/zinc/23/84/45/485238445.db2.gz AEKWNFVKFAPQEW-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000566991192 485238366 /nfs/dbraw/zinc/23/83/66/485238366.db2.gz SVEXJEPFWCMAFP-INIZCTEOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000566991193 485238507 /nfs/dbraw/zinc/23/85/07/485238507.db2.gz SVEXJEPFWCMAFP-MRXNPFEDSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000567026389 485238963 /nfs/dbraw/zinc/23/89/63/485238963.db2.gz AKLANECBLZPZNJ-AWEZNQCLSA-N 2 1 352.479 -0.020 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000567026390 485239444 /nfs/dbraw/zinc/23/94/44/485239444.db2.gz AKLANECBLZPZNJ-CQSZACIVSA-N 2 1 352.479 -0.020 20 0 FBADMP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000567027498 485239200 /nfs/dbraw/zinc/23/92/00/485239200.db2.gz TTWFUFPGIUCUOS-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000567027499 485239396 /nfs/dbraw/zinc/23/93/96/485239396.db2.gz TTWFUFPGIUCUOS-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP [NH3+][C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000567047748 485240394 /nfs/dbraw/zinc/24/03/94/485240394.db2.gz WMYJPRVYHOYPQB-HNNXBMFYSA-N 2 1 366.487 -0.608 20 0 FBADMP [NH3+][C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000567047749 485240416 /nfs/dbraw/zinc/24/04/16/485240416.db2.gz WMYJPRVYHOYPQB-OAHLLOKOSA-N 2 1 366.487 -0.608 20 0 FBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567049449 485240805 /nfs/dbraw/zinc/24/08/05/485240805.db2.gz VPFHKHWWPNHQBS-KBPBESRZSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567049450 485240041 /nfs/dbraw/zinc/24/00/41/485240041.db2.gz VPFHKHWWPNHQBS-KGLIPLIRSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567049451 485240641 /nfs/dbraw/zinc/24/06/41/485240641.db2.gz VPFHKHWWPNHQBS-UONOGXRCSA-N 2 1 354.451 -0.754 20 0 FBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567049452 485240342 /nfs/dbraw/zinc/24/03/42/485240342.db2.gz VPFHKHWWPNHQBS-ZIAGYGMSSA-N 2 1 354.451 -0.754 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC3C[NH2+]C3)C2)cc(OC)c1 ZINC000567097006 485241819 /nfs/dbraw/zinc/24/18/19/485241819.db2.gz KROJVDVTVOEJPJ-CYBMUJFWSA-N 2 1 362.430 -0.518 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC3C[NH2+]C3)C2)cc(OC)c1 ZINC000567097006 485241814 /nfs/dbraw/zinc/24/18/14/485241814.db2.gz KROJVDVTVOEJPJ-CYBMUJFWSA-N 2 1 362.430 -0.518 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC3C[NH2+]C3)C2)cc(OC)c1 ZINC000567097007 485242063 /nfs/dbraw/zinc/24/20/63/485242063.db2.gz KROJVDVTVOEJPJ-ZDUSSCGKSA-N 2 1 362.430 -0.518 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC3C[NH2+]C3)C2)cc(OC)c1 ZINC000567097007 485242060 /nfs/dbraw/zinc/24/20/60/485242060.db2.gz KROJVDVTVOEJPJ-ZDUSSCGKSA-N 2 1 362.430 -0.518 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000567099245 485241320 /nfs/dbraw/zinc/24/13/20/485241320.db2.gz VBBDDJGETJOQTE-GDBMZVCRSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000567099245 485241316 /nfs/dbraw/zinc/24/13/16/485241316.db2.gz VBBDDJGETJOQTE-GDBMZVCRSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000567099245 485241312 /nfs/dbraw/zinc/24/13/12/485241312.db2.gz VBBDDJGETJOQTE-GDBMZVCRSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000567099246 485241843 /nfs/dbraw/zinc/24/18/43/485241843.db2.gz VBBDDJGETJOQTE-GOEBONIOSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000567099246 485241838 /nfs/dbraw/zinc/24/18/38/485241838.db2.gz VBBDDJGETJOQTE-GOEBONIOSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000567099246 485241834 /nfs/dbraw/zinc/24/18/34/485241834.db2.gz VBBDDJGETJOQTE-GOEBONIOSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000567099247 485241736 /nfs/dbraw/zinc/24/17/36/485241736.db2.gz VBBDDJGETJOQTE-HOCLYGCPSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000567099247 485241731 /nfs/dbraw/zinc/24/17/31/485241731.db2.gz VBBDDJGETJOQTE-HOCLYGCPSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000567099247 485241726 /nfs/dbraw/zinc/24/17/26/485241726.db2.gz VBBDDJGETJOQTE-HOCLYGCPSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000567099248 485241438 /nfs/dbraw/zinc/24/14/38/485241438.db2.gz VBBDDJGETJOQTE-ZBFHGGJFSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000567099248 485241432 /nfs/dbraw/zinc/24/14/32/485241432.db2.gz VBBDDJGETJOQTE-ZBFHGGJFSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000567099248 485241430 /nfs/dbraw/zinc/24/14/30/485241430.db2.gz VBBDDJGETJOQTE-ZBFHGGJFSA-N 2 1 352.479 -0.020 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000567104353 485241231 /nfs/dbraw/zinc/24/12/31/485241231.db2.gz LOECQJPUOXANKX-JFIYKMOQSA-N 2 1 370.538 -0.011 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000567104355 485241182 /nfs/dbraw/zinc/24/11/82/485241182.db2.gz LOECQJPUOXANKX-JZXOWHBKSA-N 2 1 370.538 -0.011 20 0 FBADMP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000567104356 485241697 /nfs/dbraw/zinc/24/16/97/485241697.db2.gz LOECQJPUOXANKX-NUJGCVRESA-N 2 1 370.538 -0.011 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000567104357 485242018 /nfs/dbraw/zinc/24/20/18/485242018.db2.gz LOECQJPUOXANKX-SOLBZPMBSA-N 2 1 370.538 -0.011 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000567117806 485241980 /nfs/dbraw/zinc/24/19/80/485241980.db2.gz VKKMOBJOGYOSIS-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000567117807 485242261 /nfs/dbraw/zinc/24/22/61/485242261.db2.gz VKKMOBJOGYOSIS-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP CC(=O)N1CCC(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000567224966 485245628 /nfs/dbraw/zinc/24/56/28/485245628.db2.gz KTNMFVBGZPKVGR-UHFFFAOYSA-N 2 1 355.527 -0.071 20 0 FBADMP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000567236117 485245441 /nfs/dbraw/zinc/24/54/41/485245441.db2.gz NSAVFQAWQUZTLF-GASCZTMLSA-N 2 1 351.495 -0.580 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000567250567 485246342 /nfs/dbraw/zinc/24/63/42/485246342.db2.gz OXFFHRSQWDWRQQ-UHFFFAOYSA-N 2 1 362.478 -0.483 20 0 FBADMP C[NH2+]CCCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000567272709 485247545 /nfs/dbraw/zinc/24/75/45/485247545.db2.gz RWMKGQDMFSWBLC-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567337962 485250045 /nfs/dbraw/zinc/25/00/45/485250045.db2.gz QBIVVTRMWMNDMR-UHFFFAOYSA-N 3 1 365.522 -0.271 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344006 485250059 /nfs/dbraw/zinc/25/00/59/485250059.db2.gz PJWFJWRMMAAOMP-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344007 485249588 /nfs/dbraw/zinc/24/95/88/485249588.db2.gz PJWFJWRMMAAOMP-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000567401157 485252672 /nfs/dbraw/zinc/25/26/72/485252672.db2.gz OTUMRNZQBMOAPO-DLBZAZTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000567401157 485252665 /nfs/dbraw/zinc/25/26/65/485252665.db2.gz OTUMRNZQBMOAPO-DLBZAZTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000567401157 485252661 /nfs/dbraw/zinc/25/26/61/485252661.db2.gz OTUMRNZQBMOAPO-DLBZAZTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000567401158 485252705 /nfs/dbraw/zinc/25/27/05/485252705.db2.gz OTUMRNZQBMOAPO-IAGOWNOFSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000567401158 485252699 /nfs/dbraw/zinc/25/26/99/485252699.db2.gz OTUMRNZQBMOAPO-IAGOWNOFSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000567401158 485252694 /nfs/dbraw/zinc/25/26/94/485252694.db2.gz OTUMRNZQBMOAPO-IAGOWNOFSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000567401159 485252476 /nfs/dbraw/zinc/25/24/76/485252476.db2.gz OTUMRNZQBMOAPO-IRXDYDNUSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000567401159 485252472 /nfs/dbraw/zinc/25/24/72/485252472.db2.gz OTUMRNZQBMOAPO-IRXDYDNUSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000567401159 485252469 /nfs/dbraw/zinc/25/24/69/485252469.db2.gz OTUMRNZQBMOAPO-IRXDYDNUSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000567401160 485252033 /nfs/dbraw/zinc/25/20/33/485252033.db2.gz OTUMRNZQBMOAPO-SJORKVTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000567401160 485252028 /nfs/dbraw/zinc/25/20/28/485252028.db2.gz OTUMRNZQBMOAPO-SJORKVTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000567401160 485252022 /nfs/dbraw/zinc/25/20/22/485252022.db2.gz OTUMRNZQBMOAPO-SJORKVTESA-N 2 1 367.538 -0.167 20 0 FBADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000567483257 485255483 /nfs/dbraw/zinc/25/54/83/485255483.db2.gz RVNBWOFOXXFTDG-KRWDZBQOSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000567483257 485255481 /nfs/dbraw/zinc/25/54/81/485255481.db2.gz RVNBWOFOXXFTDG-KRWDZBQOSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000567483257 485255480 /nfs/dbraw/zinc/25/54/80/485255480.db2.gz RVNBWOFOXXFTDG-KRWDZBQOSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000567483257 485255478 /nfs/dbraw/zinc/25/54/78/485255478.db2.gz RVNBWOFOXXFTDG-KRWDZBQOSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000567483258 485255826 /nfs/dbraw/zinc/25/58/26/485255826.db2.gz RVNBWOFOXXFTDG-QGZVFWFLSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000567483258 485255822 /nfs/dbraw/zinc/25/58/22/485255822.db2.gz RVNBWOFOXXFTDG-QGZVFWFLSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000567483258 485255816 /nfs/dbraw/zinc/25/58/16/485255816.db2.gz RVNBWOFOXXFTDG-QGZVFWFLSA-N 2 1 356.511 -0.444 20 0 FBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000567483258 485255810 /nfs/dbraw/zinc/25/58/10/485255810.db2.gz RVNBWOFOXXFTDG-QGZVFWFLSA-N 2 1 356.511 -0.444 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000567488338 485255554 /nfs/dbraw/zinc/25/55/54/485255554.db2.gz OKIPBBGJIIZGDB-HNNXBMFYSA-N 2 1 359.430 -0.509 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000567614417 485260173 /nfs/dbraw/zinc/26/01/73/485260173.db2.gz JLOLPFSBWOMONI-BZUAXINKSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000567614418 485260798 /nfs/dbraw/zinc/26/07/98/485260798.db2.gz JLOLPFSBWOMONI-OAGGEKHMSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000567614419 485260508 /nfs/dbraw/zinc/26/05/08/485260508.db2.gz JLOLPFSBWOMONI-OWCLPIDISA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000567614420 485260412 /nfs/dbraw/zinc/26/04/12/485260412.db2.gz JLOLPFSBWOMONI-PMPSAXMXSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)C1(C)C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000567652953 485262846 /nfs/dbraw/zinc/26/28/46/485262846.db2.gz WVJQJGRVLKAAQH-UHFFFAOYSA-N 2 1 351.495 -0.707 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000567772982 485265083 /nfs/dbraw/zinc/26/50/83/485265083.db2.gz QGPAASXSFOLHAD-CVEARBPZSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000567772982 485265077 /nfs/dbraw/zinc/26/50/77/485265077.db2.gz QGPAASXSFOLHAD-CVEARBPZSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000567772983 485265632 /nfs/dbraw/zinc/26/56/32/485265632.db2.gz QGPAASXSFOLHAD-HOTGVXAUSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000567772983 485265627 /nfs/dbraw/zinc/26/56/27/485265627.db2.gz QGPAASXSFOLHAD-HOTGVXAUSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000567772984 485264996 /nfs/dbraw/zinc/26/49/96/485264996.db2.gz QGPAASXSFOLHAD-HZPDHXFCSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000567772984 485264988 /nfs/dbraw/zinc/26/49/88/485264988.db2.gz QGPAASXSFOLHAD-HZPDHXFCSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000567772985 485265349 /nfs/dbraw/zinc/26/53/49/485265349.db2.gz QGPAASXSFOLHAD-JKSUJKDBSA-N 2 1 373.457 -0.057 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000567772985 485265343 /nfs/dbraw/zinc/26/53/43/485265343.db2.gz QGPAASXSFOLHAD-JKSUJKDBSA-N 2 1 373.457 -0.057 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)c3cn(CCCC[NH3+])nn3)CC2)cc[nH+]1 ZINC000567811872 485267648 /nfs/dbraw/zinc/26/76/48/485267648.db2.gz WYHNRVSUBQHRIA-UHFFFAOYSA-N 2 1 373.465 -0.165 20 0 FBADMP C[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000567871740 485270188 /nfs/dbraw/zinc/27/01/88/485270188.db2.gz KPILDGDUIHDQFH-KRWDZBQOSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000567871740 485270181 /nfs/dbraw/zinc/27/01/81/485270181.db2.gz KPILDGDUIHDQFH-KRWDZBQOSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000567871741 485269756 /nfs/dbraw/zinc/26/97/56/485269756.db2.gz KPILDGDUIHDQFH-QGZVFWFLSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000567871741 485269752 /nfs/dbraw/zinc/26/97/52/485269752.db2.gz KPILDGDUIHDQFH-QGZVFWFLSA-N 2 1 359.474 -0.014 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000567894581 485272143 /nfs/dbraw/zinc/27/21/43/485272143.db2.gz GEQBSBJETWTGNZ-CYBMUJFWSA-N 2 1 357.480 -0.614 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000567894581 485272138 /nfs/dbraw/zinc/27/21/38/485272138.db2.gz GEQBSBJETWTGNZ-CYBMUJFWSA-N 2 1 357.480 -0.614 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000567894582 485271737 /nfs/dbraw/zinc/27/17/37/485271737.db2.gz GEQBSBJETWTGNZ-ZDUSSCGKSA-N 2 1 357.480 -0.614 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000567894582 485271735 /nfs/dbraw/zinc/27/17/35/485271735.db2.gz GEQBSBJETWTGNZ-ZDUSSCGKSA-N 2 1 357.480 -0.614 20 0 FBADMP c1nc(N2CCOCC2)cc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000567895389 485271683 /nfs/dbraw/zinc/27/16/83/485271683.db2.gz GLCOQURQMFNGOM-UHFFFAOYSA-N 2 1 361.494 -0.660 20 0 FBADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000567907098 485272015 /nfs/dbraw/zinc/27/20/15/485272015.db2.gz AZOFYKCVJDKLHU-HNNXBMFYSA-N 2 1 360.462 -0.615 20 0 FBADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000567907099 485272240 /nfs/dbraw/zinc/27/22/40/485272240.db2.gz AZOFYKCVJDKLHU-OAHLLOKOSA-N 2 1 360.462 -0.615 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982118 485275011 /nfs/dbraw/zinc/27/50/11/485275011.db2.gz NIARKFGSJGSWOK-CABCVRRESA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982119 485275219 /nfs/dbraw/zinc/27/52/19/485275219.db2.gz NIARKFGSJGSWOK-GJZGRUSLSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982120 485275639 /nfs/dbraw/zinc/27/56/39/485275639.db2.gz NIARKFGSJGSWOK-HUUCEWRRSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982121 485275516 /nfs/dbraw/zinc/27/55/16/485275516.db2.gz NIARKFGSJGSWOK-LSDHHAIUSA-N 2 1 352.479 -0.369 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990337 485274802 /nfs/dbraw/zinc/27/48/02/485274802.db2.gz VKLZSKKJNVHLQL-MSOLQXFVSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990338 485275525 /nfs/dbraw/zinc/27/55/25/485275525.db2.gz VKLZSKKJNVHLQL-QZTJIDSGSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990339 485275185 /nfs/dbraw/zinc/27/51/85/485275185.db2.gz VKLZSKKJNVHLQL-ROUUACIJSA-N 2 1 367.538 -0.561 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990340 485275257 /nfs/dbraw/zinc/27/52/57/485275257.db2.gz VKLZSKKJNVHLQL-ZWKOTPCHSA-N 2 1 367.538 -0.561 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000568059705 485279229 /nfs/dbraw/zinc/27/92/29/485279229.db2.gz BIBOGRBADBGUME-DOTOQJQBSA-N 2 1 373.457 -0.904 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000568059708 485279811 /nfs/dbraw/zinc/27/98/11/485279811.db2.gz BIBOGRBADBGUME-NVXWUHKLSA-N 2 1 373.457 -0.904 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000568059709 485279708 /nfs/dbraw/zinc/27/97/08/485279708.db2.gz BIBOGRBADBGUME-RDJZCZTQSA-N 2 1 373.457 -0.904 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000568059710 485279987 /nfs/dbraw/zinc/27/99/87/485279987.db2.gz BIBOGRBADBGUME-WBVHZDCISA-N 2 1 373.457 -0.904 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000568094986 485281226 /nfs/dbraw/zinc/28/12/26/485281226.db2.gz RBIFPTAXPJTAHE-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000568094987 485280605 /nfs/dbraw/zinc/28/06/05/485280605.db2.gz RBIFPTAXPJTAHE-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000568094988 485280444 /nfs/dbraw/zinc/28/04/44/485280444.db2.gz RBIFPTAXPJTAHE-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000568094989 485280302 /nfs/dbraw/zinc/28/03/02/485280302.db2.gz RBIFPTAXPJTAHE-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568095257 485280732 /nfs/dbraw/zinc/28/07/32/485280732.db2.gz YDUZPSAJHRNOPH-HNNXBMFYSA-N 2 1 367.494 -0.723 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568095258 485281039 /nfs/dbraw/zinc/28/10/39/485281039.db2.gz YDUZPSAJHRNOPH-OAHLLOKOSA-N 2 1 367.494 -0.723 20 0 FBADMP [NH3+]CC(F)(F)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000568151956 485283585 /nfs/dbraw/zinc/28/35/85/485283585.db2.gz QVGREPIZPSXTRP-UHFFFAOYSA-N 2 1 370.404 -0.054 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000568190903 485285082 /nfs/dbraw/zinc/28/50/82/485285082.db2.gz SONQWEZVWTWTIC-UHFFFAOYSA-N 2 1 350.467 -0.273 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568234839 485285871 /nfs/dbraw/zinc/28/58/71/485285871.db2.gz YIIHJDSNNZIAAH-AWEZNQCLSA-N 2 1 367.494 -0.839 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568234840 485285642 /nfs/dbraw/zinc/28/56/42/485285642.db2.gz YIIHJDSNNZIAAH-CQSZACIVSA-N 2 1 367.494 -0.839 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)Cn1cnc2c(cnn2-c2cc[nH+]cc2)c1=O ZINC000568247274 485285509 /nfs/dbraw/zinc/28/55/09/485285509.db2.gz HNSLDASCVZGTLR-AWEZNQCLSA-N 2 1 358.402 -0.084 20 0 FBADMP COCC[N@H+](C)C[C@H](O)Cn1cnc2c(cnn2-c2cc[nH+]cc2)c1=O ZINC000568247274 485285505 /nfs/dbraw/zinc/28/55/05/485285505.db2.gz HNSLDASCVZGTLR-AWEZNQCLSA-N 2 1 358.402 -0.084 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cnc2c(cnn2-c2cc[nH+]cc2)c1=O ZINC000568247275 485285967 /nfs/dbraw/zinc/28/59/67/485285967.db2.gz HNSLDASCVZGTLR-CQSZACIVSA-N 2 1 358.402 -0.084 20 0 FBADMP COCC[N@H+](C)C[C@@H](O)Cn1cnc2c(cnn2-c2cc[nH+]cc2)c1=O ZINC000568247275 485285961 /nfs/dbraw/zinc/28/59/61/485285961.db2.gz HNSLDASCVZGTLR-CQSZACIVSA-N 2 1 358.402 -0.084 20 0 FBADMP COc1cc2[nH+]c(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)nc(N)c2cc1OC ZINC000568257719 484529620 /nfs/dbraw/zinc/52/96/20/484529620.db2.gz WCCMIEWRXHHJAS-GXSJLCMTSA-N 2 1 358.402 -0.023 20 0 FBADMP COc1cc2[nH+]c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)nc(N)c2cc1OC ZINC000568257720 484529442 /nfs/dbraw/zinc/52/94/42/484529442.db2.gz WCCMIEWRXHHJAS-KOLCDFICSA-N 2 1 358.402 -0.023 20 0 FBADMP COc1cc2[nH+]c(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)nc(N)c2cc1OC ZINC000568257721 484529592 /nfs/dbraw/zinc/52/95/92/484529592.db2.gz WCCMIEWRXHHJAS-MWLCHTKSSA-N 2 1 358.402 -0.023 20 0 FBADMP COc1cc2[nH+]c(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)nc(N)c2cc1OC ZINC000568257722 484529012 /nfs/dbraw/zinc/52/90/12/484529012.db2.gz WCCMIEWRXHHJAS-ONGXEEELSA-N 2 1 358.402 -0.023 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000568261203 485286780 /nfs/dbraw/zinc/28/67/80/485286780.db2.gz ZOKGTWRHXXQUNP-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000568261203 485286774 /nfs/dbraw/zinc/28/67/74/485286774.db2.gz ZOKGTWRHXXQUNP-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000568261204 485287405 /nfs/dbraw/zinc/28/74/05/485287405.db2.gz ZOKGTWRHXXQUNP-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000568261205 485287005 /nfs/dbraw/zinc/28/70/05/485287005.db2.gz ZOKGTWRHXXQUNP-WCVJEAGWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000568261206 485286618 /nfs/dbraw/zinc/28/66/18/485286618.db2.gz ZOKGTWRHXXQUNP-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000568261206 485286613 /nfs/dbraw/zinc/28/66/13/485286613.db2.gz ZOKGTWRHXXQUNP-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268498 485289823 /nfs/dbraw/zinc/28/98/23/485289823.db2.gz YLXAWWBNUYSNSF-BDAKNGLRSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268498 485289819 /nfs/dbraw/zinc/28/98/19/485289819.db2.gz YLXAWWBNUYSNSF-BDAKNGLRSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268499 485289257 /nfs/dbraw/zinc/28/92/57/485289257.db2.gz YLXAWWBNUYSNSF-DTWKUNHWSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268499 485289249 /nfs/dbraw/zinc/28/92/49/485289249.db2.gz YLXAWWBNUYSNSF-DTWKUNHWSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268500 485289528 /nfs/dbraw/zinc/28/95/28/485289528.db2.gz YLXAWWBNUYSNSF-IUCAKERBSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268500 485289523 /nfs/dbraw/zinc/28/95/23/485289523.db2.gz YLXAWWBNUYSNSF-IUCAKERBSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268501 485289309 /nfs/dbraw/zinc/28/93/09/485289309.db2.gz YLXAWWBNUYSNSF-RKDXNWHRSA-N 2 1 351.329 -0.992 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268501 485289305 /nfs/dbraw/zinc/28/93/05/485289305.db2.gz YLXAWWBNUYSNSF-RKDXNWHRSA-N 2 1 351.329 -0.992 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000568288105 485291109 /nfs/dbraw/zinc/29/11/09/485291109.db2.gz VAPPSKOBDVUKNJ-UHFFFAOYSA-N 2 1 357.499 -0.410 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000568295844 485291618 /nfs/dbraw/zinc/29/16/18/485291618.db2.gz QKEFFIDMQZZBQG-ILXRZTDVSA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000568295845 485292175 /nfs/dbraw/zinc/29/21/75/485292175.db2.gz QKEFFIDMQZZBQG-KFWWJZLASA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000568295846 485291507 /nfs/dbraw/zinc/29/15/07/485291507.db2.gz QKEFFIDMQZZBQG-KKUMJFAQSA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000568295847 485292483 /nfs/dbraw/zinc/29/24/83/485292483.db2.gz QKEFFIDMQZZBQG-ZNMIVQPWSA-N 2 1 353.467 -0.703 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000568302699 485292014 /nfs/dbraw/zinc/29/20/14/485292014.db2.gz NZUAUYYVEXJJRH-HNNXBMFYSA-N 2 1 352.479 -0.018 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000568302700 485292134 /nfs/dbraw/zinc/29/21/34/485292134.db2.gz NZUAUYYVEXJJRH-OAHLLOKOSA-N 2 1 352.479 -0.018 20 0 FBADMP CN(C(=O)C[NH2+]C1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000568393377 485295460 /nfs/dbraw/zinc/29/54/60/485295460.db2.gz XMBCBZVWGZLEKI-UHFFFAOYSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000568406098 485295578 /nfs/dbraw/zinc/29/55/78/485295578.db2.gz MEBFSFIZTOPNIV-UHFFFAOYSA-N 2 1 354.495 -0.106 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000568445432 485296046 /nfs/dbraw/zinc/29/60/46/485296046.db2.gz UJGMVJMENZTOMJ-CVEARBPZSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000568445432 485296042 /nfs/dbraw/zinc/29/60/42/485296042.db2.gz UJGMVJMENZTOMJ-CVEARBPZSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000568445434 485296496 /nfs/dbraw/zinc/29/64/96/485296496.db2.gz UJGMVJMENZTOMJ-HOTGVXAUSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000568445434 485296491 /nfs/dbraw/zinc/29/64/91/485296491.db2.gz UJGMVJMENZTOMJ-HOTGVXAUSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000568445435 485297328 /nfs/dbraw/zinc/29/73/28/485297328.db2.gz UJGMVJMENZTOMJ-HZPDHXFCSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000568445435 485297322 /nfs/dbraw/zinc/29/73/22/485297322.db2.gz UJGMVJMENZTOMJ-HZPDHXFCSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000568445437 485297615 /nfs/dbraw/zinc/29/76/15/485297615.db2.gz UJGMVJMENZTOMJ-JKSUJKDBSA-N 2 1 364.490 -0.066 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000568445437 485297613 /nfs/dbraw/zinc/29/76/13/485297613.db2.gz UJGMVJMENZTOMJ-JKSUJKDBSA-N 2 1 364.490 -0.066 20 0 FBADMP COC[C@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCC[NH2+]1 ZINC000568609831 485302246 /nfs/dbraw/zinc/30/22/46/485302246.db2.gz TUPFCBCCDMEWKY-CRAIPNDOSA-N 2 1 367.494 -0.297 20 0 FBADMP COC[C@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCC[NH2+]1 ZINC000568609832 485302034 /nfs/dbraw/zinc/30/20/34/485302034.db2.gz TUPFCBCCDMEWKY-MAUKXSAKSA-N 2 1 367.494 -0.297 20 0 FBADMP COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCC[NH2+]1 ZINC000568609833 485302481 /nfs/dbraw/zinc/30/24/81/485302481.db2.gz TUPFCBCCDMEWKY-QAPCUYQASA-N 2 1 367.494 -0.297 20 0 FBADMP COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCC[NH2+]1 ZINC000568609834 485302065 /nfs/dbraw/zinc/30/20/65/485302065.db2.gz TUPFCBCCDMEWKY-YJBOKZPZSA-N 2 1 367.494 -0.297 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH+]1C[C@H](C)O ZINC000568729273 485306546 /nfs/dbraw/zinc/30/65/46/485306546.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH+]1C[C@H](C)O ZINC000568729273 485306544 /nfs/dbraw/zinc/30/65/44/485306544.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@H+]1C[C@H](C)O ZINC000568729273 485306540 /nfs/dbraw/zinc/30/65/40/485306540.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000568729273 485306538 /nfs/dbraw/zinc/30/65/38/485306538.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1C[C@H](C)O ZINC000568729273 485306534 /nfs/dbraw/zinc/30/65/34/485306534.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH+]1C[C@H](C)O ZINC000568729280 485306490 /nfs/dbraw/zinc/30/64/90/485306490.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH+]1C[C@H](C)O ZINC000568729280 485306485 /nfs/dbraw/zinc/30/64/85/485306485.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@H+]1C[C@H](C)O ZINC000568729280 485306480 /nfs/dbraw/zinc/30/64/80/485306480.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000568729280 485306477 /nfs/dbraw/zinc/30/64/77/485306477.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1C[C@H](C)O ZINC000568729280 485306470 /nfs/dbraw/zinc/30/64/70/485306470.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH+]1C[C@@H](C)O ZINC000568729281 485305936 /nfs/dbraw/zinc/30/59/36/485305936.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH+]1C[C@@H](C)O ZINC000568729281 485305933 /nfs/dbraw/zinc/30/59/33/485305933.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000568729281 485305930 /nfs/dbraw/zinc/30/59/30/485305930.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000568729281 485305927 /nfs/dbraw/zinc/30/59/27/485305927.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1C[C@@H](C)O ZINC000568729281 485305922 /nfs/dbraw/zinc/30/59/22/485305922.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH+]1C[C@@H](C)O ZINC000568729282 485307231 /nfs/dbraw/zinc/30/72/31/485307231.db2.gz DQDXNKLCYYFACG-MDZRGWNJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH+]1C[C@@H](C)O ZINC000568729282 485307227 /nfs/dbraw/zinc/30/72/27/485307227.db2.gz DQDXNKLCYYFACG-MDZRGWNJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000568729282 485307222 /nfs/dbraw/zinc/30/72/22/485307222.db2.gz DQDXNKLCYYFACG-MDZRGWNJSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000568729282 485307217 /nfs/dbraw/zinc/30/72/17/485307217.db2.gz DQDXNKLCYYFACG-MDZRGWNJSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000568741274 485306862 /nfs/dbraw/zinc/30/68/62/485306862.db2.gz DRXIEXYVGPVMOE-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000568741279 485307248 /nfs/dbraw/zinc/30/72/48/485307248.db2.gz DRXIEXYVGPVMOE-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000568752132 485306951 /nfs/dbraw/zinc/30/69/51/485306951.db2.gz BOWAVKZIVZBUDT-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000568752133 485307279 /nfs/dbraw/zinc/30/72/79/485307279.db2.gz BOWAVKZIVZBUDT-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000568762044 485308552 /nfs/dbraw/zinc/30/85/52/485308552.db2.gz SRJFVUOJQGMRBR-DNLWUEFJSA-N 2 1 365.522 -0.002 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000568762045 485308634 /nfs/dbraw/zinc/30/86/34/485308634.db2.gz SRJFVUOJQGMRBR-HCMIALLCSA-N 2 1 365.522 -0.002 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000568762046 485308577 /nfs/dbraw/zinc/30/85/77/485308577.db2.gz SRJFVUOJQGMRBR-UIJGJVKASA-N 2 1 365.522 -0.002 20 0 FBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000568762047 485308010 /nfs/dbraw/zinc/30/80/10/485308010.db2.gz SRJFVUOJQGMRBR-VPEURPPWSA-N 2 1 365.522 -0.002 20 0 FBADMP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn2cc[nH+]c12 ZINC000568883219 485311640 /nfs/dbraw/zinc/31/16/40/485311640.db2.gz FUSRLQZIHFLLCU-CHWSQXEVSA-N 2 1 356.386 -0.648 20 0 FBADMP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn2cc[nH+]c12 ZINC000568883220 485311336 /nfs/dbraw/zinc/31/13/36/485311336.db2.gz FUSRLQZIHFLLCU-OLZOCXBDSA-N 2 1 356.386 -0.648 20 0 FBADMP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn2cc[nH+]c12 ZINC000568883221 485310996 /nfs/dbraw/zinc/31/09/96/485310996.db2.gz FUSRLQZIHFLLCU-QWHCGFSZSA-N 2 1 356.386 -0.648 20 0 FBADMP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn2cc[nH+]c12 ZINC000568883222 485311449 /nfs/dbraw/zinc/31/14/49/485311449.db2.gz FUSRLQZIHFLLCU-STQMWFEESA-N 2 1 356.386 -0.648 20 0 FBADMP CN(C(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000568884522 485311589 /nfs/dbraw/zinc/31/15/89/485311589.db2.gz GJRLXOBDTPDJLM-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000568890763 485312405 /nfs/dbraw/zinc/31/24/05/485312405.db2.gz IBVNHKYXHMGBKL-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000568890763 485312403 /nfs/dbraw/zinc/31/24/03/485312403.db2.gz IBVNHKYXHMGBKL-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000568890763 485312401 /nfs/dbraw/zinc/31/24/01/485312401.db2.gz IBVNHKYXHMGBKL-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000568890764 485312243 /nfs/dbraw/zinc/31/22/43/485312243.db2.gz IBVNHKYXHMGBKL-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000568890764 485312239 /nfs/dbraw/zinc/31/22/39/485312239.db2.gz IBVNHKYXHMGBKL-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000568890764 485312236 /nfs/dbraw/zinc/31/22/36/485312236.db2.gz IBVNHKYXHMGBKL-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000568890765 485312147 /nfs/dbraw/zinc/31/21/47/485312147.db2.gz IBVNHKYXHMGBKL-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000568890765 485312142 /nfs/dbraw/zinc/31/21/42/485312142.db2.gz IBVNHKYXHMGBKL-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000568890765 485312139 /nfs/dbraw/zinc/31/21/39/485312139.db2.gz IBVNHKYXHMGBKL-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000568890766 485312488 /nfs/dbraw/zinc/31/24/88/485312488.db2.gz IBVNHKYXHMGBKL-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000568890766 485312486 /nfs/dbraw/zinc/31/24/86/485312486.db2.gz IBVNHKYXHMGBKL-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000568890766 485312485 /nfs/dbraw/zinc/31/24/85/485312485.db2.gz IBVNHKYXHMGBKL-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000568897170 485312542 /nfs/dbraw/zinc/31/25/42/485312542.db2.gz DRSZFANNKGXJOM-AWEZNQCLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000568897170 485312541 /nfs/dbraw/zinc/31/25/41/485312541.db2.gz DRSZFANNKGXJOM-AWEZNQCLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000568897171 485312452 /nfs/dbraw/zinc/31/24/52/485312452.db2.gz DRSZFANNKGXJOM-CQSZACIVSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000568897171 485312451 /nfs/dbraw/zinc/31/24/51/485312451.db2.gz DRSZFANNKGXJOM-CQSZACIVSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000569026653 485316120 /nfs/dbraw/zinc/31/61/20/485316120.db2.gz QNBIPRGPSJUNHS-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000569026654 485316553 /nfs/dbraw/zinc/31/65/53/485316553.db2.gz QNBIPRGPSJUNHS-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000569026655 485316298 /nfs/dbraw/zinc/31/62/98/485316298.db2.gz QNBIPRGPSJUNHS-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000569026656 485316488 /nfs/dbraw/zinc/31/64/88/485316488.db2.gz QNBIPRGPSJUNHS-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000569122562 485318771 /nfs/dbraw/zinc/31/87/71/485318771.db2.gz QHFPRPKHZGLQNC-KBPBESRZSA-N 2 1 365.503 -0.369 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000569122565 485318409 /nfs/dbraw/zinc/31/84/09/485318409.db2.gz QHFPRPKHZGLQNC-UONOGXRCSA-N 2 1 365.503 -0.369 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569122652 485318575 /nfs/dbraw/zinc/31/85/75/485318575.db2.gz HAKBSIOLMSUFHJ-BBWFWOEESA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569122657 485318309 /nfs/dbraw/zinc/31/83/09/485318309.db2.gz HAKBSIOLMSUFHJ-IKGGRYGDSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569122659 485318753 /nfs/dbraw/zinc/31/87/53/485318753.db2.gz HAKBSIOLMSUFHJ-ULQDDVLXSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569122661 485318725 /nfs/dbraw/zinc/31/87/25/485318725.db2.gz HAKBSIOLMSUFHJ-ZACQAIPSSA-N 2 1 364.490 -0.232 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000569134831 485319251 /nfs/dbraw/zinc/31/92/51/485319251.db2.gz WFZHSGNZQBECDQ-UHFFFAOYSA-N 2 1 351.451 -0.387 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000569134831 485319249 /nfs/dbraw/zinc/31/92/49/485319249.db2.gz WFZHSGNZQBECDQ-UHFFFAOYSA-N 2 1 351.451 -0.387 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172277 485320424 /nfs/dbraw/zinc/32/04/24/485320424.db2.gz JDFMKGPODFHHTA-INIZCTEOSA-N 2 1 351.495 -0.068 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172278 485320387 /nfs/dbraw/zinc/32/03/87/485320387.db2.gz JDFMKGPODFHHTA-MRXNPFEDSA-N 2 1 351.495 -0.068 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000569222536 485321900 /nfs/dbraw/zinc/32/19/00/485321900.db2.gz MOCFRCYCWCXJCE-HNNXBMFYSA-N 2 1 368.478 -0.283 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000569222536 485321895 /nfs/dbraw/zinc/32/18/95/485321895.db2.gz MOCFRCYCWCXJCE-HNNXBMFYSA-N 2 1 368.478 -0.283 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000569222539 485321827 /nfs/dbraw/zinc/32/18/27/485321827.db2.gz MOCFRCYCWCXJCE-OAHLLOKOSA-N 2 1 368.478 -0.283 20 0 FBADMP COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000569222539 485321823 /nfs/dbraw/zinc/32/18/23/485321823.db2.gz MOCFRCYCWCXJCE-OAHLLOKOSA-N 2 1 368.478 -0.283 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000569252886 485322775 /nfs/dbraw/zinc/32/27/75/485322775.db2.gz NSQIYFVWOJJBRX-GOSISDBHSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000569252889 485322469 /nfs/dbraw/zinc/32/24/69/485322469.db2.gz NSQIYFVWOJJBRX-SFHVURJKSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000569273460 485323729 /nfs/dbraw/zinc/32/37/29/485323729.db2.gz MUBODCDDIFFBCQ-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000569273460 485323724 /nfs/dbraw/zinc/32/37/24/485323724.db2.gz MUBODCDDIFFBCQ-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569440941 483787842 /nfs/dbraw/zinc/78/78/42/483787842.db2.gz SFTZQTYFVJVHNN-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569440941 483787838 /nfs/dbraw/zinc/78/78/38/483787838.db2.gz SFTZQTYFVJVHNN-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP C[NH+](C)Cc1cccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000569483188 483793760 /nfs/dbraw/zinc/79/37/60/483793760.db2.gz ISHZZMXEWOZCRC-UHFFFAOYSA-N 2 1 366.487 -0.192 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569633275 483943734 /nfs/dbraw/zinc/94/37/34/483943734.db2.gz VZOGILOEWXTABX-CVEARBPZSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569633276 483944385 /nfs/dbraw/zinc/94/43/85/483944385.db2.gz VZOGILOEWXTABX-HOTGVXAUSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569633278 483943549 /nfs/dbraw/zinc/94/35/49/483943549.db2.gz VZOGILOEWXTABX-HZPDHXFCSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569633280 483944654 /nfs/dbraw/zinc/94/46/54/483944654.db2.gz VZOGILOEWXTABX-JKSUJKDBSA-N 3 1 353.511 -0.319 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@@H]21 ZINC000569685729 484094028 /nfs/dbraw/zinc/09/40/28/484094028.db2.gz YVARBUGVMBJTMK-SJORKVTESA-N 2 1 364.490 -0.280 20 0 FBADMP C[NH2+]C[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000569694819 484108284 /nfs/dbraw/zinc/10/82/84/484108284.db2.gz RPQMTIYYANBDRX-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[NH2+]C[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000569694820 484107885 /nfs/dbraw/zinc/10/78/85/484107885.db2.gz RPQMTIYYANBDRX-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP CCC[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000569698051 484108868 /nfs/dbraw/zinc/10/88/68/484108868.db2.gz PZGDDBBPUMYLLR-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP CCC[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000569698052 484108679 /nfs/dbraw/zinc/10/86/79/484108679.db2.gz PZGDDBBPUMYLLR-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP [NH3+][C@@H](CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000569723934 484134845 /nfs/dbraw/zinc/13/48/45/484134845.db2.gz SOLQNTBHRKHVCB-INIZCTEOSA-N 2 1 366.487 -0.088 20 0 FBADMP [NH3+][C@H](CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000569723935 484134807 /nfs/dbraw/zinc/13/48/07/484134807.db2.gz SOLQNTBHRKHVCB-MRXNPFEDSA-N 2 1 366.487 -0.088 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744090 484136148 /nfs/dbraw/zinc/13/61/48/484136148.db2.gz GMLMZDKTAWDERC-KFWWJZLASA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744099 484137020 /nfs/dbraw/zinc/13/70/20/484137020.db2.gz GMLMZDKTAWDERC-RBSFLKMASA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000569744100 484137088 /nfs/dbraw/zinc/13/70/88/484137088.db2.gz GMLMZDKTAWDERC-RRFJBIMHSA-N 2 1 353.467 -0.703 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000569744101 484136779 /nfs/dbraw/zinc/13/67/79/484136779.db2.gz GMLMZDKTAWDERC-ZNMIVQPWSA-N 2 1 353.467 -0.703 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000569750902 484136659 /nfs/dbraw/zinc/13/66/59/484136659.db2.gz FCLWHTKHAPCHEF-BBWFWOEESA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000569750902 484136655 /nfs/dbraw/zinc/13/66/55/484136655.db2.gz FCLWHTKHAPCHEF-BBWFWOEESA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000569750902 484136653 /nfs/dbraw/zinc/13/66/53/484136653.db2.gz FCLWHTKHAPCHEF-BBWFWOEESA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000569750904 484136963 /nfs/dbraw/zinc/13/69/63/484136963.db2.gz FCLWHTKHAPCHEF-BRWVUGGUSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000569750905 484136814 /nfs/dbraw/zinc/13/68/14/484136814.db2.gz FCLWHTKHAPCHEF-IXDOHACOSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000569750905 484136812 /nfs/dbraw/zinc/13/68/12/484136812.db2.gz FCLWHTKHAPCHEF-IXDOHACOSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000569750905 484136805 /nfs/dbraw/zinc/13/68/05/484136805.db2.gz FCLWHTKHAPCHEF-IXDOHACOSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000569750906 484136394 /nfs/dbraw/zinc/13/63/94/484136394.db2.gz FCLWHTKHAPCHEF-ZACQAIPSSA-N 2 1 367.538 -0.167 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000569811742 484142798 /nfs/dbraw/zinc/14/27/98/484142798.db2.gz ZDERKHFNHPTSFW-KRWDZBQOSA-N 2 1 353.511 -0.334 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822546 484143325 /nfs/dbraw/zinc/14/33/25/484143325.db2.gz ZGJPXXKAIPDAEK-CHWSQXEVSA-N 2 1 359.421 -0.068 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822549 484143941 /nfs/dbraw/zinc/14/39/41/484143941.db2.gz ZGJPXXKAIPDAEK-OLZOCXBDSA-N 2 1 359.421 -0.068 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822551 484143829 /nfs/dbraw/zinc/14/38/29/484143829.db2.gz ZGJPXXKAIPDAEK-QWHCGFSZSA-N 2 1 359.421 -0.068 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822552 484143442 /nfs/dbraw/zinc/14/34/42/484143442.db2.gz ZGJPXXKAIPDAEK-STQMWFEESA-N 2 1 359.421 -0.068 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@H]1[NH3+] ZINC000569847720 484145356 /nfs/dbraw/zinc/14/53/56/484145356.db2.gz GYWSLQKPTIPQIV-BZUAXINKSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@H]1[NH3+] ZINC000569847721 484144780 /nfs/dbraw/zinc/14/47/80/484144780.db2.gz GYWSLQKPTIPQIV-OAGGEKHMSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000569847722 484144684 /nfs/dbraw/zinc/14/46/84/484144684.db2.gz GYWSLQKPTIPQIV-OWCLPIDISA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000569847723 484144770 /nfs/dbraw/zinc/14/47/70/484144770.db2.gz GYWSLQKPTIPQIV-PMPSAXMXSA-N 2 1 352.479 -0.105 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000569948430 484151436 /nfs/dbraw/zinc/15/14/36/484151436.db2.gz MNGHRXQHXAINCD-AWEZNQCLSA-N 2 1 350.467 -0.693 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000569948431 484151202 /nfs/dbraw/zinc/15/12/02/484151202.db2.gz MNGHRXQHXAINCD-CQSZACIVSA-N 2 1 350.467 -0.693 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000569949356 484150968 /nfs/dbraw/zinc/15/09/68/484150968.db2.gz LPPHNEJMEXEMCM-KBPBESRZSA-N 2 1 367.519 -0.136 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000569949357 484151284 /nfs/dbraw/zinc/15/12/84/484151284.db2.gz LPPHNEJMEXEMCM-KGLIPLIRSA-N 2 1 367.519 -0.136 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000569949358 484150523 /nfs/dbraw/zinc/15/05/23/484150523.db2.gz LPPHNEJMEXEMCM-UONOGXRCSA-N 2 1 367.519 -0.136 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000569949359 484150623 /nfs/dbraw/zinc/15/06/23/484150623.db2.gz LPPHNEJMEXEMCM-ZIAGYGMSSA-N 2 1 367.519 -0.136 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000569949407 484151348 /nfs/dbraw/zinc/15/13/48/484151348.db2.gz OMBBBOWBCNOPFN-UHFFFAOYSA-N 2 1 359.474 -0.472 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570107566 484162439 /nfs/dbraw/zinc/16/24/39/484162439.db2.gz NHRQXKMTPMDDIY-JKJDWNRSSA-N 2 1 352.479 -0.109 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570107566 484162433 /nfs/dbraw/zinc/16/24/33/484162433.db2.gz NHRQXKMTPMDDIY-JKJDWNRSSA-N 2 1 352.479 -0.109 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570107568 484163316 /nfs/dbraw/zinc/16/33/16/484163316.db2.gz NHRQXKMTPMDDIY-LJIZCISZSA-N 2 1 352.479 -0.109 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570107571 484163700 /nfs/dbraw/zinc/16/37/00/484163700.db2.gz NHRQXKMTPMDDIY-NPJQDHAYSA-N 2 1 352.479 -0.109 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570107571 484163697 /nfs/dbraw/zinc/16/36/97/484163697.db2.gz NHRQXKMTPMDDIY-NPJQDHAYSA-N 2 1 352.479 -0.109 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570107573 484163714 /nfs/dbraw/zinc/16/37/14/484163714.db2.gz NHRQXKMTPMDDIY-QCODTGAPSA-N 2 1 352.479 -0.109 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000570114772 484165002 /nfs/dbraw/zinc/16/50/02/484165002.db2.gz AVDJBKCTUQPIKG-CYBMUJFWSA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000570114772 484164996 /nfs/dbraw/zinc/16/49/96/484164996.db2.gz AVDJBKCTUQPIKG-CYBMUJFWSA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000570114773 484164441 /nfs/dbraw/zinc/16/44/41/484164441.db2.gz AVDJBKCTUQPIKG-ZDUSSCGKSA-N 2 1 367.494 -0.746 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000570114773 484164433 /nfs/dbraw/zinc/16/44/33/484164433.db2.gz AVDJBKCTUQPIKG-ZDUSSCGKSA-N 2 1 367.494 -0.746 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000570147702 484165979 /nfs/dbraw/zinc/16/59/79/484165979.db2.gz MMEHHCNQWLVQLT-MSOLQXFVSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000570147703 484166260 /nfs/dbraw/zinc/16/62/60/484166260.db2.gz MMEHHCNQWLVQLT-QZTJIDSGSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000570147704 484166610 /nfs/dbraw/zinc/16/66/10/484166610.db2.gz MMEHHCNQWLVQLT-ROUUACIJSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000570147705 484166916 /nfs/dbraw/zinc/16/69/16/484166916.db2.gz MMEHHCNQWLVQLT-ZWKOTPCHSA-N 2 1 373.501 -0.132 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNS(C)(=O)=O)CC2)CC1 ZINC000570185196 484169679 /nfs/dbraw/zinc/16/96/79/484169679.db2.gz FCDSKKOTSDNNDX-UHFFFAOYSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244378 484174048 /nfs/dbraw/zinc/17/40/48/484174048.db2.gz ODCNSRNYOIRLHH-DZGCQCFKSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244379 484173912 /nfs/dbraw/zinc/17/39/12/484173912.db2.gz ODCNSRNYOIRLHH-HIFRSBDPSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244380 484174409 /nfs/dbraw/zinc/17/44/09/484174409.db2.gz ODCNSRNYOIRLHH-UKRRQHHQSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244381 484174214 /nfs/dbraw/zinc/17/42/14/484174214.db2.gz ODCNSRNYOIRLHH-ZFWWWQNUSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333070 484180809 /nfs/dbraw/zinc/18/08/09/484180809.db2.gz LZXZIWZGUJEXAN-KBPBESRZSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333070 484180807 /nfs/dbraw/zinc/18/08/07/484180807.db2.gz LZXZIWZGUJEXAN-KBPBESRZSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333071 484181357 /nfs/dbraw/zinc/18/13/57/484181357.db2.gz LZXZIWZGUJEXAN-KGLIPLIRSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333071 484181351 /nfs/dbraw/zinc/18/13/51/484181351.db2.gz LZXZIWZGUJEXAN-KGLIPLIRSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333072 484181005 /nfs/dbraw/zinc/18/10/05/484181005.db2.gz LZXZIWZGUJEXAN-UONOGXRCSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333072 484180999 /nfs/dbraw/zinc/18/09/99/484180999.db2.gz LZXZIWZGUJEXAN-UONOGXRCSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333073 484181479 /nfs/dbraw/zinc/18/14/79/484181479.db2.gz LZXZIWZGUJEXAN-ZIAGYGMSSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570333073 484181473 /nfs/dbraw/zinc/18/14/73/484181473.db2.gz LZXZIWZGUJEXAN-ZIAGYGMSSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000570383865 484187581 /nfs/dbraw/zinc/18/75/81/484187581.db2.gz ITFGYFAVPXSAFY-AWEZNQCLSA-N 2 1 367.519 -0.122 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000570383866 484187921 /nfs/dbraw/zinc/18/79/21/484187921.db2.gz ITFGYFAVPXSAFY-CQSZACIVSA-N 2 1 367.519 -0.122 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000570416853 484191915 /nfs/dbraw/zinc/19/19/15/484191915.db2.gz ODMIPDAZYQXBAI-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000570416856 484192299 /nfs/dbraw/zinc/19/22/99/484192299.db2.gz ODMIPDAZYQXBAI-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570546208 484206042 /nfs/dbraw/zinc/20/60/42/484206042.db2.gz BFSXBAFULNOLGX-DJIMGWMZSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570546209 484206016 /nfs/dbraw/zinc/20/60/16/484206016.db2.gz BFSXBAFULNOLGX-OIISXLGYSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570546210 484205838 /nfs/dbraw/zinc/20/58/38/484205838.db2.gz BFSXBAFULNOLGX-UAGQMJEPSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570546211 484205771 /nfs/dbraw/zinc/20/57/71/484205771.db2.gz BFSXBAFULNOLGX-USXIJHARSA-N 2 1 364.490 -0.167 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601807 484214408 /nfs/dbraw/zinc/21/44/08/484214408.db2.gz ZXDUKFGAOCHWPC-KRWDZBQOSA-N 2 1 355.527 -0.071 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601808 484213727 /nfs/dbraw/zinc/21/37/27/484213727.db2.gz ZXDUKFGAOCHWPC-QGZVFWFLSA-N 2 1 355.527 -0.071 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625996 484216596 /nfs/dbraw/zinc/21/65/96/484216596.db2.gz UPSNOYCKMPXIFX-VVLHAWIVSA-N 2 1 356.511 -0.367 20 0 FBADMP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625998 484216876 /nfs/dbraw/zinc/21/68/76/484216876.db2.gz UPSNOYCKMPXIFX-YYIAUSFCSA-N 2 1 356.511 -0.367 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000570632405 484216552 /nfs/dbraw/zinc/21/65/52/484216552.db2.gz MZEYVRWFNYBTJZ-DOTOQJQBSA-N 2 1 360.458 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000570632406 484218267 /nfs/dbraw/zinc/21/82/67/484218267.db2.gz MZEYVRWFNYBTJZ-NVXWUHKLSA-N 2 1 360.458 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000570632407 484218221 /nfs/dbraw/zinc/21/82/21/484218221.db2.gz MZEYVRWFNYBTJZ-RDJZCZTQSA-N 2 1 360.458 -0.092 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000570632408 484218537 /nfs/dbraw/zinc/21/85/37/484218537.db2.gz MZEYVRWFNYBTJZ-WBVHZDCISA-N 2 1 360.458 -0.092 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCSC1 ZINC000570668415 484227025 /nfs/dbraw/zinc/22/70/25/484227025.db2.gz USVBCRBPEJUABP-KRWDZBQOSA-N 2 1 372.535 -0.545 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCSC1 ZINC000570668416 484227079 /nfs/dbraw/zinc/22/70/79/484227079.db2.gz USVBCRBPEJUABP-QGZVFWFLSA-N 2 1 372.535 -0.545 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570818847 484244847 /nfs/dbraw/zinc/24/48/47/484244847.db2.gz GVNSXIKTZDUVRD-OWCLPIDISA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570818848 484244963 /nfs/dbraw/zinc/24/49/63/484244963.db2.gz GVNSXIKTZDUVRD-XHSDSOJGSA-N 2 1 353.511 -0.428 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000570819139 484245704 /nfs/dbraw/zinc/24/57/04/484245704.db2.gz RHOISEGLWDLCTD-KRWDZBQOSA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000570819139 484245695 /nfs/dbraw/zinc/24/56/95/484245695.db2.gz RHOISEGLWDLCTD-KRWDZBQOSA-N 2 1 359.474 -0.431 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000570819139 484245683 /nfs/dbraw/zinc/24/56/83/484245683.db2.gz RHOISEGLWDLCTD-KRWDZBQOSA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000570819140 484246344 /nfs/dbraw/zinc/24/63/44/484246344.db2.gz RHOISEGLWDLCTD-QGZVFWFLSA-N 2 1 359.474 -0.431 20 0 FBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000570819140 484246334 /nfs/dbraw/zinc/24/63/34/484246334.db2.gz RHOISEGLWDLCTD-QGZVFWFLSA-N 2 1 359.474 -0.431 20 0 FBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000570819140 484246326 /nfs/dbraw/zinc/24/63/26/484246326.db2.gz RHOISEGLWDLCTD-QGZVFWFLSA-N 2 1 359.474 -0.431 20 0 FBADMP CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000570826837 484247458 /nfs/dbraw/zinc/24/74/58/484247458.db2.gz BJKZCICEHACSAS-BZUAXINKSA-N 2 1 367.494 -0.313 20 0 FBADMP CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000570826839 484248033 /nfs/dbraw/zinc/24/80/33/484248033.db2.gz BJKZCICEHACSAS-OAGGEKHMSA-N 2 1 367.494 -0.313 20 0 FBADMP CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000570826841 484248499 /nfs/dbraw/zinc/24/84/99/484248499.db2.gz BJKZCICEHACSAS-OWCLPIDISA-N 2 1 367.494 -0.313 20 0 FBADMP CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000570826843 484248545 /nfs/dbraw/zinc/24/85/45/484248545.db2.gz BJKZCICEHACSAS-PMPSAXMXSA-N 2 1 367.494 -0.313 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000570906216 484258622 /nfs/dbraw/zinc/25/86/22/484258622.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000570906216 484258613 /nfs/dbraw/zinc/25/86/13/484258613.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000570906216 484258609 /nfs/dbraw/zinc/25/86/09/484258609.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000570906216 484258606 /nfs/dbraw/zinc/25/86/06/484258606.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000570906217 484258035 /nfs/dbraw/zinc/25/80/35/484258035.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000570906217 484258024 /nfs/dbraw/zinc/25/80/24/484258024.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000570906217 484258014 /nfs/dbraw/zinc/25/80/14/484258014.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000570906217 484258009 /nfs/dbraw/zinc/25/80/09/484258009.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000570931176 484259369 /nfs/dbraw/zinc/25/93/69/484259369.db2.gz FLQFCCQJKHWFMR-KRWDZBQOSA-N 2 1 359.474 -0.207 20 0 FBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000570931177 484260331 /nfs/dbraw/zinc/26/03/31/484260331.db2.gz FLQFCCQJKHWFMR-QGZVFWFLSA-N 2 1 359.474 -0.207 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570943795 484294370 /nfs/dbraw/zinc/29/43/70/484294370.db2.gz BGQYTDMGQRLGRT-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570943796 484294328 /nfs/dbraw/zinc/29/43/28/484294328.db2.gz BGQYTDMGQRLGRT-GJZGRUSLSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570943797 484292974 /nfs/dbraw/zinc/29/29/74/484292974.db2.gz BGQYTDMGQRLGRT-HUUCEWRRSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570943798 484293974 /nfs/dbraw/zinc/29/39/74/484293974.db2.gz BGQYTDMGQRLGRT-LSDHHAIUSA-N 2 1 353.511 -0.286 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000570944069 484294360 /nfs/dbraw/zinc/29/43/60/484294360.db2.gz RBBJOUXXIREGKQ-CYBMUJFWSA-N 2 1 353.492 -0.512 20 0 FBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000570944070 484293539 /nfs/dbraw/zinc/29/35/39/484293539.db2.gz RBBJOUXXIREGKQ-ZDUSSCGKSA-N 2 1 353.492 -0.512 20 0 FBADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571047081 483932523 /nfs/dbraw/zinc/93/25/23/483932523.db2.gz JQBXJFSXJMWSHT-CABCVRRESA-N 2 1 368.478 -0.283 20 0 FBADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571047082 483932420 /nfs/dbraw/zinc/93/24/20/483932420.db2.gz JQBXJFSXJMWSHT-GJZGRUSLSA-N 2 1 368.478 -0.283 20 0 FBADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571047083 483933652 /nfs/dbraw/zinc/93/36/52/483933652.db2.gz JQBXJFSXJMWSHT-HUUCEWRRSA-N 2 1 368.478 -0.283 20 0 FBADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571047084 483932876 /nfs/dbraw/zinc/93/28/76/483932876.db2.gz JQBXJFSXJMWSHT-LSDHHAIUSA-N 2 1 368.478 -0.283 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000571057712 483939378 /nfs/dbraw/zinc/93/93/78/483939378.db2.gz DFAOSAMEJMUISF-HNNXBMFYSA-N 2 1 352.483 -0.396 20 0 FBADMP COCC[N@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000571057712 483939371 /nfs/dbraw/zinc/93/93/71/483939371.db2.gz DFAOSAMEJMUISF-HNNXBMFYSA-N 2 1 352.483 -0.396 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000571057715 483939113 /nfs/dbraw/zinc/93/91/13/483939113.db2.gz DFAOSAMEJMUISF-OAHLLOKOSA-N 2 1 352.483 -0.396 20 0 FBADMP COCC[N@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000571057715 483939107 /nfs/dbraw/zinc/93/91/07/483939107.db2.gz DFAOSAMEJMUISF-OAHLLOKOSA-N 2 1 352.483 -0.396 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000571087715 484189736 /nfs/dbraw/zinc/18/97/36/484189736.db2.gz FSYREISRSMATTG-ARFHVFGLSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000571087716 484189105 /nfs/dbraw/zinc/18/91/05/484189105.db2.gz FSYREISRSMATTG-HRCADAONSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000571087717 484188777 /nfs/dbraw/zinc/18/87/77/484188777.db2.gz FSYREISRSMATTG-JYJNAYRXSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000571087718 484189709 /nfs/dbraw/zinc/18/97/09/484189709.db2.gz FSYREISRSMATTG-XHSDSOJGSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)[C@H]1CCCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000571088217 484191382 /nfs/dbraw/zinc/19/13/82/484191382.db2.gz DAQVECODCBBKRA-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000571165982 484197987 /nfs/dbraw/zinc/19/79/87/484197987.db2.gz WNONNFJKPHMQIA-ZDEQEGDKSA-N 2 1 352.414 -0.702 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000571168896 484198339 /nfs/dbraw/zinc/19/83/39/484198339.db2.gz CJBICBADIPSVIH-HNNXBMFYSA-N 2 1 350.467 -0.302 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000571168896 484198332 /nfs/dbraw/zinc/19/83/32/484198332.db2.gz CJBICBADIPSVIH-HNNXBMFYSA-N 2 1 350.467 -0.302 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000571168899 484198320 /nfs/dbraw/zinc/19/83/20/484198320.db2.gz CJBICBADIPSVIH-OAHLLOKOSA-N 2 1 350.467 -0.302 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000571168899 484198312 /nfs/dbraw/zinc/19/83/12/484198312.db2.gz CJBICBADIPSVIH-OAHLLOKOSA-N 2 1 350.467 -0.302 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000571228964 484204517 /nfs/dbraw/zinc/20/45/17/484204517.db2.gz LRXBGGOMTCEGMM-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP C[N@@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000571268426 484206937 /nfs/dbraw/zinc/20/69/37/484206937.db2.gz JECMBYRPOPCSFQ-UHFFFAOYSA-N 2 1 351.426 -0.012 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCCCn2ccnc2)CC1(C)C ZINC000571305250 484225676 /nfs/dbraw/zinc/22/56/76/484225676.db2.gz JFWARSPHSOACGX-UHFFFAOYSA-N 2 1 364.494 -0.078 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000571306995 484225528 /nfs/dbraw/zinc/22/55/28/484225528.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000571306995 484225523 /nfs/dbraw/zinc/22/55/23/484225523.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000571306995 484225519 /nfs/dbraw/zinc/22/55/19/484225519.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000571306997 484225867 /nfs/dbraw/zinc/22/58/67/484225867.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000571306997 484225863 /nfs/dbraw/zinc/22/58/63/484225863.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000571306997 484225858 /nfs/dbraw/zinc/22/58/58/484225858.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000571312890 484227305 /nfs/dbraw/zinc/22/73/05/484227305.db2.gz KRCMCZHLZQXYIP-DLBZAZTESA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000571312892 484227443 /nfs/dbraw/zinc/22/74/43/484227443.db2.gz KRCMCZHLZQXYIP-IAGOWNOFSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000571312894 484227029 /nfs/dbraw/zinc/22/70/29/484227029.db2.gz KRCMCZHLZQXYIP-IRXDYDNUSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000571312896 484227226 /nfs/dbraw/zinc/22/72/26/484227226.db2.gz KRCMCZHLZQXYIP-SJORKVTESA-N 2 1 365.522 -0.188 20 0 FBADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571325695 484230243 /nfs/dbraw/zinc/23/02/43/484230243.db2.gz QOMTTYPBWRIZFK-UHFFFAOYSA-N 2 1 368.478 -0.458 20 0 FBADMP CN(C)S(=O)(=O)N(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000571332589 484231682 /nfs/dbraw/zinc/23/16/82/484231682.db2.gz UJIQAEHCNIHGCB-UHFFFAOYSA-N 2 1 370.479 -0.490 20 0 FBADMP CC[N@@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000571386916 484247959 /nfs/dbraw/zinc/24/79/59/484247959.db2.gz BRGMUZKKIVCUPA-UHFFFAOYSA-N 2 1 359.496 -0.901 20 0 FBADMP CC[N@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000571386916 484247954 /nfs/dbraw/zinc/24/79/54/484247954.db2.gz BRGMUZKKIVCUPA-UHFFFAOYSA-N 2 1 359.496 -0.901 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571388525 484246983 /nfs/dbraw/zinc/24/69/83/484246983.db2.gz LDOGCNMSECBCIZ-CVEARBPZSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571388533 484247892 /nfs/dbraw/zinc/24/78/92/484247892.db2.gz LDOGCNMSECBCIZ-HOTGVXAUSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571388534 484248592 /nfs/dbraw/zinc/24/85/92/484248592.db2.gz LDOGCNMSECBCIZ-HZPDHXFCSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571388536 484247270 /nfs/dbraw/zinc/24/72/70/484247270.db2.gz LDOGCNMSECBCIZ-JKSUJKDBSA-N 2 1 353.511 -0.284 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000571408145 484251064 /nfs/dbraw/zinc/25/10/64/484251064.db2.gz RUFNBOVGLYJUOP-INIZCTEOSA-N 2 1 362.478 -0.478 20 0 FBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000571408146 484251595 /nfs/dbraw/zinc/25/15/95/484251595.db2.gz RUFNBOVGLYJUOP-MRXNPFEDSA-N 2 1 362.478 -0.478 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000571424151 484253243 /nfs/dbraw/zinc/25/32/43/484253243.db2.gz HBGSHMJZWWBMNF-UHFFFAOYSA-N 2 1 367.494 -0.696 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000571424151 484253236 /nfs/dbraw/zinc/25/32/36/484253236.db2.gz HBGSHMJZWWBMNF-UHFFFAOYSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000571431247 484254882 /nfs/dbraw/zinc/25/48/82/484254882.db2.gz MKVFNJIGDGUARV-INIZCTEOSA-N 2 1 366.506 -0.106 20 0 FBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000571431248 484255236 /nfs/dbraw/zinc/25/52/36/484255236.db2.gz MKVFNJIGDGUARV-MRXNPFEDSA-N 2 1 366.506 -0.106 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000571468505 484257588 /nfs/dbraw/zinc/25/75/88/484257588.db2.gz WNWBOHGSAPEVIZ-HZPDHXFCSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000571468506 484257626 /nfs/dbraw/zinc/25/76/26/484257626.db2.gz WNWBOHGSAPEVIZ-JKSUJKDBSA-N 2 1 355.527 -0.167 20 0 FBADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508815 484267096 /nfs/dbraw/zinc/26/70/96/484267096.db2.gz FQAASPFLQFRPEQ-CHWSQXEVSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508815 484267091 /nfs/dbraw/zinc/26/70/91/484267091.db2.gz FQAASPFLQFRPEQ-CHWSQXEVSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508816 484266974 /nfs/dbraw/zinc/26/69/74/484266974.db2.gz FQAASPFLQFRPEQ-OLZOCXBDSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508816 484266970 /nfs/dbraw/zinc/26/69/70/484266970.db2.gz FQAASPFLQFRPEQ-OLZOCXBDSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508817 484267245 /nfs/dbraw/zinc/26/72/45/484267245.db2.gz FQAASPFLQFRPEQ-QWHCGFSZSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508817 484267242 /nfs/dbraw/zinc/26/72/42/484267242.db2.gz FQAASPFLQFRPEQ-QWHCGFSZSA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508818 484266219 /nfs/dbraw/zinc/26/62/19/484266219.db2.gz FQAASPFLQFRPEQ-STQMWFEESA-N 2 1 353.419 -0.813 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC12COC2 ZINC000571508818 484266213 /nfs/dbraw/zinc/26/62/13/484266213.db2.gz FQAASPFLQFRPEQ-STQMWFEESA-N 2 1 353.419 -0.813 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000571514417 484270864 /nfs/dbraw/zinc/27/08/64/484270864.db2.gz DJSIHFGFFYMWTO-IYBDPMFKSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000571514417 484270860 /nfs/dbraw/zinc/27/08/60/484270860.db2.gz DJSIHFGFFYMWTO-IYBDPMFKSA-N 2 1 366.506 -0.108 20 0 FBADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000571521954 484273702 /nfs/dbraw/zinc/27/37/02/484273702.db2.gz JDFMITNUNWSGEQ-CYBMUJFWSA-N 2 1 350.423 -0.477 20 0 FBADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000571521955 484274098 /nfs/dbraw/zinc/27/40/98/484274098.db2.gz JDFMITNUNWSGEQ-ZDUSSCGKSA-N 2 1 350.423 -0.477 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000571543602 484276087 /nfs/dbraw/zinc/27/60/87/484276087.db2.gz PQHJBCTYWQACSH-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000571543602 484276081 /nfs/dbraw/zinc/27/60/81/484276081.db2.gz PQHJBCTYWQACSH-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000571543602 484276074 /nfs/dbraw/zinc/27/60/74/484276074.db2.gz PQHJBCTYWQACSH-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000571543603 484275042 /nfs/dbraw/zinc/27/50/42/484275042.db2.gz PQHJBCTYWQACSH-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000571543603 484275037 /nfs/dbraw/zinc/27/50/37/484275037.db2.gz PQHJBCTYWQACSH-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000571543603 484275031 /nfs/dbraw/zinc/27/50/31/484275031.db2.gz PQHJBCTYWQACSH-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000571543604 484276191 /nfs/dbraw/zinc/27/61/91/484276191.db2.gz PQHJBCTYWQACSH-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000571543604 484276182 /nfs/dbraw/zinc/27/61/82/484276182.db2.gz PQHJBCTYWQACSH-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000571543604 484276174 /nfs/dbraw/zinc/27/61/74/484276174.db2.gz PQHJBCTYWQACSH-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000571543605 484275245 /nfs/dbraw/zinc/27/52/45/484275245.db2.gz PQHJBCTYWQACSH-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000571543605 484275241 /nfs/dbraw/zinc/27/52/41/484275241.db2.gz PQHJBCTYWQACSH-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000571543605 484275235 /nfs/dbraw/zinc/27/52/35/484275235.db2.gz PQHJBCTYWQACSH-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000571546022 484277323 /nfs/dbraw/zinc/27/73/23/484277323.db2.gz PBRUGHBJQIFEHR-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000571570661 484276920 /nfs/dbraw/zinc/27/69/20/484276920.db2.gz CWDCHKCUSWOKRH-UHFFFAOYSA-N 2 1 352.479 -0.018 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000571571273 484277055 /nfs/dbraw/zinc/27/70/55/484277055.db2.gz MCUDLBVIDYZFJB-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571777268 484901156 /nfs/dbraw/zinc/90/11/56/484901156.db2.gz CIZQAOPJYSMGAD-UHFFFAOYSA-N 2 1 355.483 -0.582 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571866378 484903631 /nfs/dbraw/zinc/90/36/31/484903631.db2.gz HVDHZZWAWNEPTH-HNNXBMFYSA-N 2 1 367.494 -0.695 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571866379 484903836 /nfs/dbraw/zinc/90/38/36/484903836.db2.gz HVDHZZWAWNEPTH-OAHLLOKOSA-N 2 1 367.494 -0.695 20 0 FBADMP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571880538 484904975 /nfs/dbraw/zinc/90/49/75/484904975.db2.gz KTDFOVGDMMNMDR-INIZCTEOSA-N 2 1 364.471 -0.681 20 0 FBADMP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571880540 484905193 /nfs/dbraw/zinc/90/51/93/484905193.db2.gz KTDFOVGDMMNMDR-MRXNPFEDSA-N 2 1 364.471 -0.681 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000571882889 484905184 /nfs/dbraw/zinc/90/51/84/484905184.db2.gz IBGOQTNAYZASGE-ARFHVFGLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000571882892 484905318 /nfs/dbraw/zinc/90/53/18/484905318.db2.gz IBGOQTNAYZASGE-HRCADAONSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000571882893 484905508 /nfs/dbraw/zinc/90/55/08/484905508.db2.gz IBGOQTNAYZASGE-JYJNAYRXSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000571882894 484905370 /nfs/dbraw/zinc/90/53/70/484905370.db2.gz IBGOQTNAYZASGE-XHSDSOJGSA-N 2 1 352.479 -0.105 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000571912052 484908049 /nfs/dbraw/zinc/90/80/49/484908049.db2.gz HLRXJRKRBLGPLI-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000571912052 484908047 /nfs/dbraw/zinc/90/80/47/484908047.db2.gz HLRXJRKRBLGPLI-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000572006885 484912547 /nfs/dbraw/zinc/91/25/47/484912547.db2.gz MJPHACWPIWQBCQ-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000572006885 484912545 /nfs/dbraw/zinc/91/25/45/484912545.db2.gz MJPHACWPIWQBCQ-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006885 484912542 /nfs/dbraw/zinc/91/25/42/484912542.db2.gz MJPHACWPIWQBCQ-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000572006886 484911847 /nfs/dbraw/zinc/91/18/47/484911847.db2.gz MJPHACWPIWQBCQ-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000572006886 484911838 /nfs/dbraw/zinc/91/18/38/484911838.db2.gz MJPHACWPIWQBCQ-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006886 484911828 /nfs/dbraw/zinc/91/18/28/484911828.db2.gz MJPHACWPIWQBCQ-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000572006887 484912591 /nfs/dbraw/zinc/91/25/91/484912591.db2.gz MJPHACWPIWQBCQ-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000572006887 484912586 /nfs/dbraw/zinc/91/25/86/484912586.db2.gz MJPHACWPIWQBCQ-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006887 484912582 /nfs/dbraw/zinc/91/25/82/484912582.db2.gz MJPHACWPIWQBCQ-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000572006888 484912454 /nfs/dbraw/zinc/91/24/54/484912454.db2.gz MJPHACWPIWQBCQ-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000572006888 484912452 /nfs/dbraw/zinc/91/24/52/484912452.db2.gz MJPHACWPIWQBCQ-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006888 484912450 /nfs/dbraw/zinc/91/24/50/484912450.db2.gz MJPHACWPIWQBCQ-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000572033494 484913740 /nfs/dbraw/zinc/91/37/40/484913740.db2.gz KDXHVORKPFDPQA-NSHDSACASA-N 2 1 350.375 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000572038091 484914055 /nfs/dbraw/zinc/91/40/55/484914055.db2.gz CWTLDHSETFTUGD-DAYGRLMNSA-N 2 1 374.485 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000572038091 484914053 /nfs/dbraw/zinc/91/40/53/484914053.db2.gz CWTLDHSETFTUGD-DAYGRLMNSA-N 2 1 374.485 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000572038092 484913597 /nfs/dbraw/zinc/91/35/97/484913597.db2.gz CWTLDHSETFTUGD-RVKKMQEKSA-N 2 1 374.485 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000572038092 484913591 /nfs/dbraw/zinc/91/35/91/484913591.db2.gz CWTLDHSETFTUGD-RVKKMQEKSA-N 2 1 374.485 -0.015 20 0 FBADMP C[NH+](CCN1CCNC1=O)[C@H]1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000572074974 484916664 /nfs/dbraw/zinc/91/66/64/484916664.db2.gz DBYUCEKAAICRRL-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP C[NH+](CCN1CCNC1=O)[C@H]1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000572074974 484916657 /nfs/dbraw/zinc/91/66/57/484916657.db2.gz DBYUCEKAAICRRL-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@@H+](CCN1CCNC1=O)[C@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000572074974 484916652 /nfs/dbraw/zinc/91/66/52/484916652.db2.gz DBYUCEKAAICRRL-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@H+](CCN1CCNC1=O)[C@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000572074974 484916647 /nfs/dbraw/zinc/91/66/47/484916647.db2.gz DBYUCEKAAICRRL-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP C[NH+](CCN1CCNC1=O)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000572074985 484917413 /nfs/dbraw/zinc/91/74/13/484917413.db2.gz DBYUCEKAAICRRL-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[NH+](CCN1CCNC1=O)[C@@H]1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000572074985 484917409 /nfs/dbraw/zinc/91/74/09/484917409.db2.gz DBYUCEKAAICRRL-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@@H+](CCN1CCNC1=O)[C@@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000572074985 484917405 /nfs/dbraw/zinc/91/74/05/484917405.db2.gz DBYUCEKAAICRRL-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@H+](CCN1CCNC1=O)[C@@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000572074985 484917401 /nfs/dbraw/zinc/91/74/01/484917401.db2.gz DBYUCEKAAICRRL-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124364 484919488 /nfs/dbraw/zinc/91/94/88/484919488.db2.gz SMPHXEMCVDLCKL-INIZCTEOSA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124365 484920209 /nfs/dbraw/zinc/92/02/09/484920209.db2.gz SMPHXEMCVDLCKL-MRXNPFEDSA-N 2 1 365.522 -0.317 20 0 FBADMP [NH3+]C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000572156540 484921858 /nfs/dbraw/zinc/92/18/58/484921858.db2.gz PXLYQHOWDYJWBK-KRWDZBQOSA-N 2 1 373.501 -0.036 20 0 FBADMP [NH3+]C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000572156541 484921057 /nfs/dbraw/zinc/92/10/57/484921057.db2.gz PXLYQHOWDYJWBK-QGZVFWFLSA-N 2 1 373.501 -0.036 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157545 484921773 /nfs/dbraw/zinc/92/17/73/484921773.db2.gz ANAZNGAJUXHEIB-CVEARBPZSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157546 484921973 /nfs/dbraw/zinc/92/19/73/484921973.db2.gz ANAZNGAJUXHEIB-HOTGVXAUSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157547 484922002 /nfs/dbraw/zinc/92/20/02/484922002.db2.gz ANAZNGAJUXHEIB-HZPDHXFCSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157548 484921247 /nfs/dbraw/zinc/92/12/47/484921247.db2.gz ANAZNGAJUXHEIB-JKSUJKDBSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572234692 484925471 /nfs/dbraw/zinc/92/54/71/484925471.db2.gz ZFOKLPDQNORSET-IKGGRYGDSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572234693 484925276 /nfs/dbraw/zinc/92/52/76/484925276.db2.gz ZFOKLPDQNORSET-ZACQAIPSSA-N 2 1 363.506 -0.422 20 0 FBADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572241920 484927535 /nfs/dbraw/zinc/92/75/35/484927535.db2.gz OYDVQGQETJYACY-KBPBESRZSA-N 2 1 361.450 -0.934 20 0 FBADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572241921 484927059 /nfs/dbraw/zinc/92/70/59/484927059.db2.gz OYDVQGQETJYACY-KGLIPLIRSA-N 2 1 361.450 -0.934 20 0 FBADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572241922 484926928 /nfs/dbraw/zinc/92/69/28/484926928.db2.gz OYDVQGQETJYACY-UONOGXRCSA-N 2 1 361.450 -0.934 20 0 FBADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572241923 484927133 /nfs/dbraw/zinc/92/71/33/484927133.db2.gz OYDVQGQETJYACY-ZIAGYGMSSA-N 2 1 361.450 -0.934 20 0 FBADMP [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000572304377 484933791 /nfs/dbraw/zinc/93/37/91/484933791.db2.gz NXWZDUCTAADELH-MSOLQXFVSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000572304378 484933818 /nfs/dbraw/zinc/93/38/18/484933818.db2.gz NXWZDUCTAADELH-QZTJIDSGSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000572304379 484934113 /nfs/dbraw/zinc/93/41/13/484934113.db2.gz NXWZDUCTAADELH-ROUUACIJSA-N 2 1 371.485 -0.425 20 0 FBADMP [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000572304380 484934407 /nfs/dbraw/zinc/93/44/07/484934407.db2.gz NXWZDUCTAADELH-ZWKOTPCHSA-N 2 1 371.485 -0.425 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405485 484965813 /nfs/dbraw/zinc/96/58/13/484965813.db2.gz PQTSJKDNIOSNBS-CVEARBPZSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405485 484965810 /nfs/dbraw/zinc/96/58/10/484965810.db2.gz PQTSJKDNIOSNBS-CVEARBPZSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405485 484965806 /nfs/dbraw/zinc/96/58/06/484965806.db2.gz PQTSJKDNIOSNBS-CVEARBPZSA-N 3 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405486 484965662 /nfs/dbraw/zinc/96/56/62/484965662.db2.gz PQTSJKDNIOSNBS-HOTGVXAUSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405486 484965658 /nfs/dbraw/zinc/96/56/58/484965658.db2.gz PQTSJKDNIOSNBS-HOTGVXAUSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405486 484965651 /nfs/dbraw/zinc/96/56/51/484965651.db2.gz PQTSJKDNIOSNBS-HOTGVXAUSA-N 3 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405487 484965727 /nfs/dbraw/zinc/96/57/27/484965727.db2.gz PQTSJKDNIOSNBS-HZPDHXFCSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405487 484965720 /nfs/dbraw/zinc/96/57/20/484965720.db2.gz PQTSJKDNIOSNBS-HZPDHXFCSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405487 484965715 /nfs/dbraw/zinc/96/57/15/484965715.db2.gz PQTSJKDNIOSNBS-HZPDHXFCSA-N 3 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405488 484965968 /nfs/dbraw/zinc/96/59/68/484965968.db2.gz PQTSJKDNIOSNBS-JKSUJKDBSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000572405488 484965963 /nfs/dbraw/zinc/96/59/63/484965963.db2.gz PQTSJKDNIOSNBS-JKSUJKDBSA-N 2 1 351.495 -0.612 20 0 FBADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405488 484965960 /nfs/dbraw/zinc/96/59/60/484965960.db2.gz PQTSJKDNIOSNBS-JKSUJKDBSA-N 3 1 351.495 -0.612 20 0 FBADMP COCc1noc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000572405531 484964838 /nfs/dbraw/zinc/96/48/38/484964838.db2.gz VDLSNSXNRRWKJV-UHFFFAOYSA-N 2 1 352.439 -0.845 20 0 FBADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000572467649 484981433 /nfs/dbraw/zinc/98/14/33/484981433.db2.gz ZLBWFHRFSHMERZ-KBPBESRZSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000572467650 484980997 /nfs/dbraw/zinc/98/09/97/484980997.db2.gz ZLBWFHRFSHMERZ-OKILXGFUSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000572467650 484980991 /nfs/dbraw/zinc/98/09/91/484980991.db2.gz ZLBWFHRFSHMERZ-OKILXGFUSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000572467651 484981153 /nfs/dbraw/zinc/98/11/53/484981153.db2.gz ZLBWFHRFSHMERZ-ZIAGYGMSSA-N 2 1 368.478 -0.809 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475505 485297540 /nfs/dbraw/zinc/29/75/40/485297540.db2.gz GWTAIHILXQLTHJ-CABCVRRESA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475506 485296778 /nfs/dbraw/zinc/29/67/78/485296778.db2.gz GWTAIHILXQLTHJ-GJZGRUSLSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475507 485297048 /nfs/dbraw/zinc/29/70/48/485297048.db2.gz GWTAIHILXQLTHJ-HUUCEWRRSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475508 485297032 /nfs/dbraw/zinc/29/70/32/485297032.db2.gz GWTAIHILXQLTHJ-LSDHHAIUSA-N 2 1 351.495 -0.661 20 0 FBADMP CN(C(=O)C[NH2+]CC1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000572603609 484137683 /nfs/dbraw/zinc/13/76/83/484137683.db2.gz PLXYVYYHXUTIMF-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000572605851 485324571 /nfs/dbraw/zinc/32/45/71/485324571.db2.gz FMHQTKHEURDAMB-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000572605852 485324866 /nfs/dbraw/zinc/32/48/66/485324866.db2.gz FMHQTKHEURDAMB-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(C(=O)CCCC[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000572644472 484185948 /nfs/dbraw/zinc/18/59/48/484185948.db2.gz DJBYAYMIQPCASK-UHFFFAOYSA-N 2 1 353.511 -0.188 20 0 FBADMP CS[C@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@H]1[NH+](C)C ZINC000572656905 484237319 /nfs/dbraw/zinc/23/73/19/484237319.db2.gz XZUQTFHYEBDIQF-NEPJUHHUSA-N 2 1 355.512 -0.578 20 0 FBADMP CS[C@@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@@H]1[NH+](C)C ZINC000572656908 484237602 /nfs/dbraw/zinc/23/76/02/484237602.db2.gz XZUQTFHYEBDIQF-NWDGAFQWSA-N 2 1 355.512 -0.578 20 0 FBADMP CS[C@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@@H]1[NH+](C)C ZINC000572656909 484237032 /nfs/dbraw/zinc/23/70/32/484237032.db2.gz XZUQTFHYEBDIQF-RYUDHWBXSA-N 2 1 355.512 -0.578 20 0 FBADMP CS[C@@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@H]1[NH+](C)C ZINC000572656910 484237191 /nfs/dbraw/zinc/23/71/91/484237191.db2.gz XZUQTFHYEBDIQF-VXGBXAGGSA-N 2 1 355.512 -0.578 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000572662971 483488926 /nfs/dbraw/zinc/48/89/26/483488926.db2.gz BLJMUQQYYHXHPC-FPCVCCKLSA-N 2 1 365.478 -0.417 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000572662972 483490582 /nfs/dbraw/zinc/49/05/82/483490582.db2.gz BLJMUQQYYHXHPC-KLHDSHLOSA-N 2 1 365.478 -0.417 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000572662973 483490283 /nfs/dbraw/zinc/49/02/83/483490283.db2.gz BLJMUQQYYHXHPC-LVQVYYBASA-N 2 1 365.478 -0.417 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000572662974 483492119 /nfs/dbraw/zinc/49/21/19/483492119.db2.gz BLJMUQQYYHXHPC-WCVJEAGWSA-N 2 1 365.478 -0.417 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000572663426 485325489 /nfs/dbraw/zinc/32/54/89/485325489.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 2 1 362.434 -0.867 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000572663426 485325485 /nfs/dbraw/zinc/32/54/85/485325485.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 2 1 362.434 -0.867 20 0 FBADMP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000572663426 485325479 /nfs/dbraw/zinc/32/54/79/485325479.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 2 1 362.434 -0.867 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000572663427 485325641 /nfs/dbraw/zinc/32/56/41/485325641.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 2 1 362.434 -0.867 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000572663427 485325638 /nfs/dbraw/zinc/32/56/38/485325638.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 2 1 362.434 -0.867 20 0 FBADMP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000572663427 485325636 /nfs/dbraw/zinc/32/56/36/485325636.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 2 1 362.434 -0.867 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706058 485326033 /nfs/dbraw/zinc/32/60/33/485326033.db2.gz TXDNVBHHUDNCLK-MSOLQXFVSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706059 485326754 /nfs/dbraw/zinc/32/67/54/485326754.db2.gz TXDNVBHHUDNCLK-QZTJIDSGSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706060 485326690 /nfs/dbraw/zinc/32/66/90/485326690.db2.gz TXDNVBHHUDNCLK-ROUUACIJSA-N 2 1 373.501 -0.132 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706061 485326777 /nfs/dbraw/zinc/32/67/77/485326777.db2.gz TXDNVBHHUDNCLK-ZWKOTPCHSA-N 2 1 373.501 -0.132 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326103 /nfs/dbraw/zinc/32/61/03/485326103.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326098 /nfs/dbraw/zinc/32/60/98/485326098.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326092 /nfs/dbraw/zinc/32/60/92/485326092.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326299 /nfs/dbraw/zinc/32/62/99/485326299.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326296 /nfs/dbraw/zinc/32/62/96/485326296.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 2 1 367.494 -0.757 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326292 /nfs/dbraw/zinc/32/62/92/485326292.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 2 1 367.494 -0.757 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000572739939 485327793 /nfs/dbraw/zinc/32/77/93/485327793.db2.gz UUKFGBKIFFRNHM-UHFFFAOYSA-N 2 1 352.479 -0.040 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CN1CC[NH+](C)CC1 ZINC000572742411 485327287 /nfs/dbraw/zinc/32/72/87/485327287.db2.gz QSBOLTALEFTACU-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CN1CC[NH+](C)CC1 ZINC000572742412 485327650 /nfs/dbraw/zinc/32/76/50/485327650.db2.gz QSBOLTALEFTACU-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000572764738 485328298 /nfs/dbraw/zinc/32/82/98/485328298.db2.gz JQCMDUHHHVTRCW-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000572764739 485328350 /nfs/dbraw/zinc/32/83/50/485328350.db2.gz JQCMDUHHHVTRCW-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000572764740 485328109 /nfs/dbraw/zinc/32/81/09/485328109.db2.gz JQCMDUHHHVTRCW-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000572764741 485328598 /nfs/dbraw/zinc/32/85/98/485328598.db2.gz JQCMDUHHHVTRCW-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000572826965 485330406 /nfs/dbraw/zinc/33/04/06/485330406.db2.gz MNPQZZZCDYGFKT-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000572826965 485330401 /nfs/dbraw/zinc/33/04/01/485330401.db2.gz MNPQZZZCDYGFKT-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000572826965 485330396 /nfs/dbraw/zinc/33/03/96/485330396.db2.gz MNPQZZZCDYGFKT-HNNXBMFYSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000572826966 485330201 /nfs/dbraw/zinc/33/02/01/485330201.db2.gz MNPQZZZCDYGFKT-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000572826966 485330196 /nfs/dbraw/zinc/33/01/96/485330196.db2.gz MNPQZZZCDYGFKT-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000572826966 485330193 /nfs/dbraw/zinc/33/01/93/485330193.db2.gz MNPQZZZCDYGFKT-OAHLLOKOSA-N 2 1 355.527 -0.025 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000572992403 485334718 /nfs/dbraw/zinc/33/47/18/485334718.db2.gz JGHRPOKFJOUDJI-KRWDZBQOSA-N 2 1 351.495 -0.280 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000572992404 485334886 /nfs/dbraw/zinc/33/48/86/485334886.db2.gz JGHRPOKFJOUDJI-QGZVFWFLSA-N 2 1 351.495 -0.280 20 0 FBADMP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573073931 483904615 /nfs/dbraw/zinc/90/46/15/483904615.db2.gz ZSPJYHHIZMWTGZ-CYBMUJFWSA-N 2 1 359.496 -0.995 20 0 FBADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573073938 483904312 /nfs/dbraw/zinc/90/43/12/483904312.db2.gz ZSPJYHHIZMWTGZ-ZDUSSCGKSA-N 2 1 359.496 -0.995 20 0 FBADMP CC[NH+](CC)CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000573113033 483907239 /nfs/dbraw/zinc/90/72/39/483907239.db2.gz XBFSVAFVWVQUAW-UHFFFAOYSA-N 2 1 355.483 -0.885 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116555 483907395 /nfs/dbraw/zinc/90/73/95/483907395.db2.gz OEPUJLAGTNHDQU-CVEARBPZSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116555 483907389 /nfs/dbraw/zinc/90/73/89/483907389.db2.gz OEPUJLAGTNHDQU-CVEARBPZSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116556 483907634 /nfs/dbraw/zinc/90/76/34/483907634.db2.gz OEPUJLAGTNHDQU-HOTGVXAUSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116556 483907631 /nfs/dbraw/zinc/90/76/31/483907631.db2.gz OEPUJLAGTNHDQU-HOTGVXAUSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116557 483907671 /nfs/dbraw/zinc/90/76/71/483907671.db2.gz OEPUJLAGTNHDQU-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116557 483907667 /nfs/dbraw/zinc/90/76/67/483907667.db2.gz OEPUJLAGTNHDQU-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116558 483907006 /nfs/dbraw/zinc/90/70/06/483907006.db2.gz OEPUJLAGTNHDQU-JKSUJKDBSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000573116558 483906999 /nfs/dbraw/zinc/90/69/99/483906999.db2.gz OEPUJLAGTNHDQU-JKSUJKDBSA-N 2 1 354.495 -0.129 20 0 FBADMP CN(C(=O)C(C)(C)C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573121410 483907371 /nfs/dbraw/zinc/90/73/71/483907371.db2.gz FEQROOKDAZFGJJ-UHFFFAOYSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000573121892 483907508 /nfs/dbraw/zinc/90/75/08/483907508.db2.gz OGFZPKPZERWJNL-CABCVRRESA-N 2 1 353.511 -0.334 20 0 FBADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573121893 483907405 /nfs/dbraw/zinc/90/74/05/483907405.db2.gz OGFZPKPZERWJNL-GJZGRUSLSA-N 2 1 353.511 -0.334 20 0 FBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573121894 483907468 /nfs/dbraw/zinc/90/74/68/483907468.db2.gz OGFZPKPZERWJNL-HUUCEWRRSA-N 2 1 353.511 -0.334 20 0 FBADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573121895 483907579 /nfs/dbraw/zinc/90/75/79/483907579.db2.gz OGFZPKPZERWJNL-LSDHHAIUSA-N 2 1 353.511 -0.334 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCNC(=O)C3)CC2)CC1 ZINC000573135792 483907192 /nfs/dbraw/zinc/90/71/92/483907192.db2.gz GMMAMCPDPFOJLR-UHFFFAOYSA-N 2 1 365.522 -0.269 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167656 483909786 /nfs/dbraw/zinc/90/97/86/483909786.db2.gz SRAGFKKRYMNVDL-CVEARBPZSA-N 2 1 370.494 -0.750 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167657 483909689 /nfs/dbraw/zinc/90/96/89/483909689.db2.gz SRAGFKKRYMNVDL-HOTGVXAUSA-N 2 1 370.494 -0.750 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167658 483909816 /nfs/dbraw/zinc/90/98/16/483909816.db2.gz SRAGFKKRYMNVDL-HZPDHXFCSA-N 2 1 370.494 -0.750 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167659 483909860 /nfs/dbraw/zinc/90/98/60/483909860.db2.gz SRAGFKKRYMNVDL-JKSUJKDBSA-N 2 1 370.494 -0.750 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197686 483909270 /nfs/dbraw/zinc/90/92/70/483909270.db2.gz VGLFSWXYFGLKKY-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197687 483909339 /nfs/dbraw/zinc/90/93/39/483909339.db2.gz VGLFSWXYFGLKKY-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226764 483911077 /nfs/dbraw/zinc/91/10/77/483911077.db2.gz VRVLODBNVAPHHR-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226765 483910775 /nfs/dbraw/zinc/91/07/75/483910775.db2.gz VRVLODBNVAPHHR-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP [NH3+]C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000573249828 483912134 /nfs/dbraw/zinc/91/21/34/483912134.db2.gz FQHXYXLJLUWQFF-CVEARBPZSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000573249829 483911657 /nfs/dbraw/zinc/91/16/57/483911657.db2.gz FQHXYXLJLUWQFF-HOTGVXAUSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+]C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000573249830 483912299 /nfs/dbraw/zinc/91/22/99/483912299.db2.gz FQHXYXLJLUWQFF-HZPDHXFCSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000573249831 483911728 /nfs/dbraw/zinc/91/17/28/483911728.db2.gz FQHXYXLJLUWQFF-JKSUJKDBSA-N 2 1 352.479 -0.103 20 0 FBADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573368331 483917975 /nfs/dbraw/zinc/91/79/75/483917975.db2.gz DGVCOWPJRYGUQP-AGUYFDCRSA-N 2 1 356.492 -0.647 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368338 483918193 /nfs/dbraw/zinc/91/81/93/483918193.db2.gz DWKIYGSLXHRLTD-JYJNAYRXSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368338 483918188 /nfs/dbraw/zinc/91/81/88/483918188.db2.gz DWKIYGSLXHRLTD-JYJNAYRXSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368339 483917523 /nfs/dbraw/zinc/91/75/23/483917523.db2.gz DWKIYGSLXHRLTD-OAGGEKHMSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368339 483917516 /nfs/dbraw/zinc/91/75/16/483917516.db2.gz DWKIYGSLXHRLTD-OAGGEKHMSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368340 483917707 /nfs/dbraw/zinc/91/77/07/483917707.db2.gz DWKIYGSLXHRLTD-PMPSAXMXSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368340 483917700 /nfs/dbraw/zinc/91/77/00/483917700.db2.gz DWKIYGSLXHRLTD-PMPSAXMXSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368341 483917946 /nfs/dbraw/zinc/91/79/46/483917946.db2.gz DWKIYGSLXHRLTD-XHSDSOJGSA-N 2 1 365.478 -0.546 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000573368341 483917941 /nfs/dbraw/zinc/91/79/41/483917941.db2.gz DWKIYGSLXHRLTD-XHSDSOJGSA-N 2 1 365.478 -0.546 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000573370453 483917812 /nfs/dbraw/zinc/91/78/12/483917812.db2.gz FNAUMXUZRBMXHV-CVEARBPZSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000573370454 483918027 /nfs/dbraw/zinc/91/80/27/483918027.db2.gz FNAUMXUZRBMXHV-HOTGVXAUSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000573370455 483917960 /nfs/dbraw/zinc/91/79/60/483917960.db2.gz FNAUMXUZRBMXHV-HZPDHXFCSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000573370456 483917919 /nfs/dbraw/zinc/91/79/19/483917919.db2.gz FNAUMXUZRBMXHV-JKSUJKDBSA-N 2 1 352.479 -0.185 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCN1C ZINC000573380163 483918247 /nfs/dbraw/zinc/91/82/47/483918247.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)CCN1C ZINC000573380163 483918244 /nfs/dbraw/zinc/91/82/44/483918244.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000573380163 483918239 /nfs/dbraw/zinc/91/82/39/483918239.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCN1C ZINC000573380165 483917646 /nfs/dbraw/zinc/91/76/46/483917646.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCN1C ZINC000573380165 483917641 /nfs/dbraw/zinc/91/76/41/483917641.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000573380165 483917639 /nfs/dbraw/zinc/91/76/39/483917639.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000573429867 483920952 /nfs/dbraw/zinc/92/09/52/483920952.db2.gz MLIITQRAYSKTOD-CVEARBPZSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000573429868 483921192 /nfs/dbraw/zinc/92/11/92/483921192.db2.gz MLIITQRAYSKTOD-HOTGVXAUSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000573429869 483921346 /nfs/dbraw/zinc/92/13/46/483921346.db2.gz MLIITQRAYSKTOD-HZPDHXFCSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000573429870 483920785 /nfs/dbraw/zinc/92/07/85/483920785.db2.gz MLIITQRAYSKTOD-JKSUJKDBSA-N 2 1 353.511 -0.142 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000573432557 483920979 /nfs/dbraw/zinc/92/09/79/483920979.db2.gz UCDYCLFYGGYTFY-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000573432558 483920577 /nfs/dbraw/zinc/92/05/77/483920577.db2.gz UCDYCLFYGGYTFY-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP [NH3+]C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000573443312 483920894 /nfs/dbraw/zinc/92/08/94/483920894.db2.gz GTXLZGJLDWOIPE-HNNXBMFYSA-N 2 1 370.450 -0.686 20 0 FBADMP [NH3+]C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000573443313 483920503 /nfs/dbraw/zinc/92/05/03/483920503.db2.gz GTXLZGJLDWOIPE-OAHLLOKOSA-N 2 1 370.450 -0.686 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000573464454 483923073 /nfs/dbraw/zinc/92/30/73/483923073.db2.gz RLWWMGMLJJHHOW-GDBMZVCRSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000573464457 483922987 /nfs/dbraw/zinc/92/29/87/483922987.db2.gz RLWWMGMLJJHHOW-GOEBONIOSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000573464459 483922691 /nfs/dbraw/zinc/92/26/91/483922691.db2.gz RLWWMGMLJJHHOW-HOCLYGCPSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000573464460 483922632 /nfs/dbraw/zinc/92/26/32/483922632.db2.gz RLWWMGMLJJHHOW-ZBFHGGJFSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000573500054 483924823 /nfs/dbraw/zinc/92/48/23/483924823.db2.gz OLZLJXULATUPGG-INIZCTEOSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000573500060 483923692 /nfs/dbraw/zinc/92/36/92/483923692.db2.gz OLZLJXULATUPGG-MRXNPFEDSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573521968 483925559 /nfs/dbraw/zinc/92/55/59/483925559.db2.gz ZSUDUZWKYKTKJR-CVEARBPZSA-N 2 1 370.494 -0.825 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573521969 483926765 /nfs/dbraw/zinc/92/67/65/483926765.db2.gz ZSUDUZWKYKTKJR-HOTGVXAUSA-N 2 1 370.494 -0.825 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573521970 483925867 /nfs/dbraw/zinc/92/58/67/483925867.db2.gz ZSUDUZWKYKTKJR-HZPDHXFCSA-N 2 1 370.494 -0.825 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573521971 483925646 /nfs/dbraw/zinc/92/56/46/483925646.db2.gz ZSUDUZWKYKTKJR-JKSUJKDBSA-N 2 1 370.494 -0.825 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555726 483927596 /nfs/dbraw/zinc/92/75/96/483927596.db2.gz XYZMISXOSDZSRE-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555726 483927590 /nfs/dbraw/zinc/92/75/90/483927590.db2.gz XYZMISXOSDZSRE-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555727 483927499 /nfs/dbraw/zinc/92/74/99/483927499.db2.gz XYZMISXOSDZSRE-GJZGRUSLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555727 483927490 /nfs/dbraw/zinc/92/74/90/483927490.db2.gz XYZMISXOSDZSRE-GJZGRUSLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555728 483927250 /nfs/dbraw/zinc/92/72/50/483927250.db2.gz XYZMISXOSDZSRE-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555728 483927246 /nfs/dbraw/zinc/92/72/46/483927246.db2.gz XYZMISXOSDZSRE-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555729 483928311 /nfs/dbraw/zinc/92/83/11/483928311.db2.gz XYZMISXOSDZSRE-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555729 483928308 /nfs/dbraw/zinc/92/83/08/483928308.db2.gz XYZMISXOSDZSRE-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574835 483928405 /nfs/dbraw/zinc/92/84/05/483928405.db2.gz CKCHPPDSWYEOTJ-BEFAXECRSA-N 2 1 358.442 -0.196 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574836 483927974 /nfs/dbraw/zinc/92/79/74/483927974.db2.gz CKCHPPDSWYEOTJ-DNVCBOLYSA-N 2 1 358.442 -0.196 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574837 483928427 /nfs/dbraw/zinc/92/84/27/483928427.db2.gz CKCHPPDSWYEOTJ-HNAYVOBHSA-N 2 1 358.442 -0.196 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574838 483927403 /nfs/dbraw/zinc/92/74/03/483927403.db2.gz CKCHPPDSWYEOTJ-KXBFYZLASA-N 2 1 358.442 -0.196 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000573578366 483928774 /nfs/dbraw/zinc/92/87/74/483928774.db2.gz BMXYFOYGJHMKEZ-INIZCTEOSA-N 2 1 373.457 -0.580 20 0 FBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(CC[NH3+])CCO)CC2)cc1 ZINC000573608938 483930961 /nfs/dbraw/zinc/93/09/61/483930961.db2.gz MJPUMWVZHNUGBA-UHFFFAOYSA-N 2 1 364.490 -0.018 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@H+]1C1CC1 ZINC000573643952 483933364 /nfs/dbraw/zinc/93/33/64/483933364.db2.gz LSLLDNKDBLKHRY-KBPBESRZSA-N 2 1 360.462 -0.205 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@H+]1C1CC1 ZINC000573643957 483933563 /nfs/dbraw/zinc/93/35/63/483933563.db2.gz LSLLDNKDBLKHRY-KGLIPLIRSA-N 2 1 360.462 -0.205 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@H+]1C1CC1 ZINC000573643959 483933085 /nfs/dbraw/zinc/93/30/85/483933085.db2.gz LSLLDNKDBLKHRY-UONOGXRCSA-N 2 1 360.462 -0.205 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@H+]1C1CC1 ZINC000573643961 483933864 /nfs/dbraw/zinc/93/38/64/483933864.db2.gz LSLLDNKDBLKHRY-ZIAGYGMSSA-N 2 1 360.462 -0.205 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675791 483935401 /nfs/dbraw/zinc/93/54/01/483935401.db2.gz IQUAUQKZZDFEHB-OEAJRASXSA-N 2 1 350.463 -0.747 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675792 483935547 /nfs/dbraw/zinc/93/55/47/483935547.db2.gz IQUAUQKZZDFEHB-OJLVUWQFSA-N 2 1 350.463 -0.747 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675793 483935608 /nfs/dbraw/zinc/93/56/08/483935608.db2.gz IQUAUQKZZDFEHB-TUUVXOQKSA-N 2 1 350.463 -0.747 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675794 483934765 /nfs/dbraw/zinc/93/47/65/483934765.db2.gz IQUAUQKZZDFEHB-UKMLZYKCSA-N 2 1 350.463 -0.747 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000573675814 483935103 /nfs/dbraw/zinc/93/51/03/483935103.db2.gz NOKYQSSZZFWKMJ-INIZCTEOSA-N 2 1 353.511 -0.334 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000573675815 483935056 /nfs/dbraw/zinc/93/50/56/483935056.db2.gz NOKYQSSZZFWKMJ-MRXNPFEDSA-N 2 1 353.511 -0.334 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000573735846 483938693 /nfs/dbraw/zinc/93/86/93/483938693.db2.gz MVJCRNAVEXFNLV-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000573735846 483938675 /nfs/dbraw/zinc/93/86/75/483938675.db2.gz MVJCRNAVEXFNLV-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000573735847 483938934 /nfs/dbraw/zinc/93/89/34/483938934.db2.gz MVJCRNAVEXFNLV-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000573735847 483938915 /nfs/dbraw/zinc/93/89/15/483938915.db2.gz MVJCRNAVEXFNLV-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573786896 483940142 /nfs/dbraw/zinc/94/01/42/483940142.db2.gz WNWWWPRMDNKFPV-INIZCTEOSA-N 2 1 367.494 -0.438 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573786897 483940319 /nfs/dbraw/zinc/94/03/19/483940319.db2.gz WNWWWPRMDNKFPV-MRXNPFEDSA-N 2 1 367.494 -0.438 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000573807047 483941362 /nfs/dbraw/zinc/94/13/62/483941362.db2.gz PZWLQRTZGJFLOB-UHFFFAOYSA-N 2 1 355.483 -0.981 20 0 FBADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000573823562 483941603 /nfs/dbraw/zinc/94/16/03/483941603.db2.gz FHKYNFWQIAKTQU-UHFFFAOYSA-N 2 1 373.501 -0.211 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000573824173 483941320 /nfs/dbraw/zinc/94/13/20/483941320.db2.gz VCDVUVZFIIQGMD-KBPBESRZSA-N 2 1 353.492 -0.432 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000573824177 483941909 /nfs/dbraw/zinc/94/19/09/483941909.db2.gz VCDVUVZFIIQGMD-KGLIPLIRSA-N 2 1 353.492 -0.432 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000573824179 483942186 /nfs/dbraw/zinc/94/21/86/483942186.db2.gz VCDVUVZFIIQGMD-UONOGXRCSA-N 2 1 353.492 -0.432 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000573824180 483941445 /nfs/dbraw/zinc/94/14/45/483941445.db2.gz VCDVUVZFIIQGMD-ZIAGYGMSSA-N 2 1 353.492 -0.432 20 0 FBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827402 483943056 /nfs/dbraw/zinc/94/30/56/483943056.db2.gz LLLHTOIXOYBADA-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827404 483943791 /nfs/dbraw/zinc/94/37/91/483943791.db2.gz LLLHTOIXOYBADA-HOTGVXAUSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827405 483943903 /nfs/dbraw/zinc/94/39/03/483943903.db2.gz LLLHTOIXOYBADA-HZPDHXFCSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827406 483943877 /nfs/dbraw/zinc/94/38/77/483943877.db2.gz LLLHTOIXOYBADA-JKSUJKDBSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000573867820 483945685 /nfs/dbraw/zinc/94/56/85/483945685.db2.gz IYHYZPQDUOZYGM-HNNXBMFYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000573867822 483945091 /nfs/dbraw/zinc/94/50/91/483945091.db2.gz IYHYZPQDUOZYGM-OAHLLOKOSA-N 2 1 354.495 -0.250 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000573923185 483946703 /nfs/dbraw/zinc/94/67/03/483946703.db2.gz IFQHRBMBYRMBNE-INIZCTEOSA-N 2 1 372.535 -0.057 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000573923186 483947762 /nfs/dbraw/zinc/94/77/62/483947762.db2.gz IFQHRBMBYRMBNE-MRXNPFEDSA-N 2 1 372.535 -0.057 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000573943795 483948939 /nfs/dbraw/zinc/94/89/39/483948939.db2.gz OSBRCLVFCQHJBP-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000573943795 483948932 /nfs/dbraw/zinc/94/89/32/483948932.db2.gz OSBRCLVFCQHJBP-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000573943795 483948929 /nfs/dbraw/zinc/94/89/29/483948929.db2.gz OSBRCLVFCQHJBP-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000573943795 483948922 /nfs/dbraw/zinc/94/89/22/483948922.db2.gz OSBRCLVFCQHJBP-KBPBESRZSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000573943796 483949723 /nfs/dbraw/zinc/94/97/23/483949723.db2.gz OSBRCLVFCQHJBP-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000573943796 483949717 /nfs/dbraw/zinc/94/97/17/483949717.db2.gz OSBRCLVFCQHJBP-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000573943796 483949709 /nfs/dbraw/zinc/94/97/09/483949709.db2.gz OSBRCLVFCQHJBP-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000573943796 483949702 /nfs/dbraw/zinc/94/97/02/483949702.db2.gz OSBRCLVFCQHJBP-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000573943797 483948868 /nfs/dbraw/zinc/94/88/68/483948868.db2.gz OSBRCLVFCQHJBP-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000573943797 483948865 /nfs/dbraw/zinc/94/88/65/483948865.db2.gz OSBRCLVFCQHJBP-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)C1CC1 ZINC000573943797 483948862 /nfs/dbraw/zinc/94/88/62/483948862.db2.gz OSBRCLVFCQHJBP-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)C1CC1 ZINC000573943797 483948859 /nfs/dbraw/zinc/94/88/59/483948859.db2.gz OSBRCLVFCQHJBP-UONOGXRCSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000573943799 483949138 /nfs/dbraw/zinc/94/91/38/483949138.db2.gz OSBRCLVFCQHJBP-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000573943799 483949133 /nfs/dbraw/zinc/94/91/33/483949133.db2.gz OSBRCLVFCQHJBP-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)C1CC1 ZINC000573943799 483949127 /nfs/dbraw/zinc/94/91/27/483949127.db2.gz OSBRCLVFCQHJBP-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)C1CC1 ZINC000573943799 483949124 /nfs/dbraw/zinc/94/91/24/483949124.db2.gz OSBRCLVFCQHJBP-ZIAGYGMSSA-N 2 1 354.495 -0.111 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979734 483950447 /nfs/dbraw/zinc/95/04/47/483950447.db2.gz SLOYHPUTRADUMT-CABCVRRESA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979734 483950442 /nfs/dbraw/zinc/95/04/42/483950442.db2.gz SLOYHPUTRADUMT-CABCVRRESA-N 2 1 351.513 -0.471 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979734 483950434 /nfs/dbraw/zinc/95/04/34/483950434.db2.gz SLOYHPUTRADUMT-CABCVRRESA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979741 483951720 /nfs/dbraw/zinc/95/17/20/483951720.db2.gz SLOYHPUTRADUMT-GJZGRUSLSA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979741 483951718 /nfs/dbraw/zinc/95/17/18/483951718.db2.gz SLOYHPUTRADUMT-GJZGRUSLSA-N 2 1 351.513 -0.471 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979741 483951711 /nfs/dbraw/zinc/95/17/11/483951711.db2.gz SLOYHPUTRADUMT-GJZGRUSLSA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979742 483950195 /nfs/dbraw/zinc/95/01/95/483950195.db2.gz SLOYHPUTRADUMT-HUUCEWRRSA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979742 483950187 /nfs/dbraw/zinc/95/01/87/483950187.db2.gz SLOYHPUTRADUMT-HUUCEWRRSA-N 2 1 351.513 -0.471 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979742 483950178 /nfs/dbraw/zinc/95/01/78/483950178.db2.gz SLOYHPUTRADUMT-HUUCEWRRSA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979743 483950856 /nfs/dbraw/zinc/95/08/56/483950856.db2.gz SLOYHPUTRADUMT-LSDHHAIUSA-N 2 1 351.513 -0.471 20 0 FBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979743 483950853 /nfs/dbraw/zinc/95/08/53/483950853.db2.gz SLOYHPUTRADUMT-LSDHHAIUSA-N 2 1 351.513 -0.471 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979743 483950847 /nfs/dbraw/zinc/95/08/47/483950847.db2.gz SLOYHPUTRADUMT-LSDHHAIUSA-N 2 1 351.513 -0.471 20 0 FBADMP C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000573982829 483950945 /nfs/dbraw/zinc/95/09/45/483950945.db2.gz VWZAVROUSMHBIR-LLVKDONJSA-N 2 1 365.481 -0.587 20 0 FBADMP C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000573982830 483951293 /nfs/dbraw/zinc/95/12/93/483951293.db2.gz VWZAVROUSMHBIR-NSHDSACASA-N 2 1 365.481 -0.587 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000573985778 483951657 /nfs/dbraw/zinc/95/16/57/483951657.db2.gz DZMKHQODBJUCEH-UHFFFAOYSA-N 2 1 367.494 -0.743 20 0 FBADMP C[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000573985778 483951650 /nfs/dbraw/zinc/95/16/50/483951650.db2.gz DZMKHQODBJUCEH-UHFFFAOYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000573993806 483952220 /nfs/dbraw/zinc/95/22/20/483952220.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000573993806 483952215 /nfs/dbraw/zinc/95/22/15/483952215.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000573993806 483952211 /nfs/dbraw/zinc/95/22/11/483952211.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C[C@@H]21 ZINC000574018305 483952777 /nfs/dbraw/zinc/95/27/77/483952777.db2.gz LYOYDGSBRRCOMK-ZBFHGGJFSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C[C@@H]21 ZINC000574018305 483952768 /nfs/dbraw/zinc/95/27/68/483952768.db2.gz LYOYDGSBRRCOMK-ZBFHGGJFSA-N 2 1 350.463 -0.528 20 0 FBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000574024699 483952997 /nfs/dbraw/zinc/95/29/97/483952997.db2.gz KNKALWDJEMTDCC-XOBFJNJYSA-N 2 1 363.441 -0.024 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000574036940 483952422 /nfs/dbraw/zinc/95/24/22/483952422.db2.gz ZPWLJOPBIYOERF-AWEZNQCLSA-N 2 1 351.455 -0.701 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000574036941 483952580 /nfs/dbraw/zinc/95/25/80/483952580.db2.gz ZPWLJOPBIYOERF-CQSZACIVSA-N 2 1 351.455 -0.701 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000574040874 483955041 /nfs/dbraw/zinc/95/50/41/483955041.db2.gz GLUIJERRWAMSCU-KBPBESRZSA-N 2 1 374.432 -0.187 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000574040875 483953926 /nfs/dbraw/zinc/95/39/26/483953926.db2.gz GLUIJERRWAMSCU-KGLIPLIRSA-N 2 1 374.432 -0.187 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574040876 483954523 /nfs/dbraw/zinc/95/45/23/483954523.db2.gz GLUIJERRWAMSCU-UONOGXRCSA-N 2 1 374.432 -0.187 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574040877 483954820 /nfs/dbraw/zinc/95/48/20/483954820.db2.gz GLUIJERRWAMSCU-ZIAGYGMSSA-N 2 1 374.432 -0.187 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574222967 483963592 /nfs/dbraw/zinc/96/35/92/483963592.db2.gz QMFRCRGWDQFYLZ-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574222967 483963583 /nfs/dbraw/zinc/96/35/83/483963583.db2.gz QMFRCRGWDQFYLZ-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000574222968 483962989 /nfs/dbraw/zinc/96/29/89/483962989.db2.gz QMFRCRGWDQFYLZ-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574222968 483962984 /nfs/dbraw/zinc/96/29/84/483962984.db2.gz QMFRCRGWDQFYLZ-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCCCC1 ZINC000574260985 483964680 /nfs/dbraw/zinc/96/46/80/483964680.db2.gz KCRYWKOSZDKVSX-UHFFFAOYSA-N 2 1 373.523 -0.333 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000574301314 483966728 /nfs/dbraw/zinc/96/67/28/483966728.db2.gz BGXWKQOJLIUYKV-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000574301314 483966723 /nfs/dbraw/zinc/96/67/23/483966723.db2.gz BGXWKQOJLIUYKV-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301314 483966716 /nfs/dbraw/zinc/96/67/16/483966716.db2.gz BGXWKQOJLIUYKV-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000574301315 483967285 /nfs/dbraw/zinc/96/72/85/483967285.db2.gz BGXWKQOJLIUYKV-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000574301315 483967277 /nfs/dbraw/zinc/96/72/77/483967277.db2.gz BGXWKQOJLIUYKV-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301315 483967273 /nfs/dbraw/zinc/96/72/73/483967273.db2.gz BGXWKQOJLIUYKV-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000574301316 483966758 /nfs/dbraw/zinc/96/67/58/483966758.db2.gz BGXWKQOJLIUYKV-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000574301316 483966753 /nfs/dbraw/zinc/96/67/53/483966753.db2.gz BGXWKQOJLIUYKV-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301316 483966749 /nfs/dbraw/zinc/96/67/49/483966749.db2.gz BGXWKQOJLIUYKV-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000574301317 483966446 /nfs/dbraw/zinc/96/64/46/483966446.db2.gz BGXWKQOJLIUYKV-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000574301317 483966442 /nfs/dbraw/zinc/96/64/42/483966442.db2.gz BGXWKQOJLIUYKV-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301317 483966435 /nfs/dbraw/zinc/96/64/35/483966435.db2.gz BGXWKQOJLIUYKV-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP Cc1cc(N2CCC[C@H](N3CC[NH+](CCOCC[NH3+])CC3)C2=O)n(C)n1 ZINC000574324360 483968869 /nfs/dbraw/zinc/96/88/69/483968869.db2.gz IKZGUINSGGJJEZ-INIZCTEOSA-N 2 1 364.494 -0.183 20 0 FBADMP Cc1cc(N2CCC[C@@H](N3CC[NH+](CCOCC[NH3+])CC3)C2=O)n(C)n1 ZINC000574324366 483968480 /nfs/dbraw/zinc/96/84/80/483968480.db2.gz IKZGUINSGGJJEZ-MRXNPFEDSA-N 2 1 364.494 -0.183 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000574333281 483968960 /nfs/dbraw/zinc/96/89/60/483968960.db2.gz PIWGQXHEDFBEEK-UHFFFAOYSA-N 2 1 370.494 -0.872 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000574343377 483968314 /nfs/dbraw/zinc/96/83/14/483968314.db2.gz CLLNNWZJHRGZGB-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000574343378 483970076 /nfs/dbraw/zinc/97/00/76/483970076.db2.gz CLLNNWZJHRGZGB-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000574343379 483970394 /nfs/dbraw/zinc/97/03/94/483970394.db2.gz CLLNNWZJHRGZGB-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000574343380 483971017 /nfs/dbraw/zinc/97/10/17/483971017.db2.gz CLLNNWZJHRGZGB-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000574349073 483969988 /nfs/dbraw/zinc/96/99/88/483969988.db2.gz JVOOTLCMHSPEQK-DLBZAZTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000574349073 483969983 /nfs/dbraw/zinc/96/99/83/483969983.db2.gz JVOOTLCMHSPEQK-DLBZAZTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000574349073 483969975 /nfs/dbraw/zinc/96/99/75/483969975.db2.gz JVOOTLCMHSPEQK-DLBZAZTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000574349077 483970829 /nfs/dbraw/zinc/97/08/29/483970829.db2.gz JVOOTLCMHSPEQK-IAGOWNOFSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000574349077 483970822 /nfs/dbraw/zinc/97/08/22/483970822.db2.gz JVOOTLCMHSPEQK-IAGOWNOFSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000574349077 483970811 /nfs/dbraw/zinc/97/08/11/483970811.db2.gz JVOOTLCMHSPEQK-IAGOWNOFSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000574349079 483969856 /nfs/dbraw/zinc/96/98/56/483969856.db2.gz JVOOTLCMHSPEQK-IRXDYDNUSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000574349079 483969849 /nfs/dbraw/zinc/96/98/49/483969849.db2.gz JVOOTLCMHSPEQK-IRXDYDNUSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000574349079 483969841 /nfs/dbraw/zinc/96/98/41/483969841.db2.gz JVOOTLCMHSPEQK-IRXDYDNUSA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000574349081 483970915 /nfs/dbraw/zinc/97/09/15/483970915.db2.gz JVOOTLCMHSPEQK-SJORKVTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000574349081 483970907 /nfs/dbraw/zinc/97/09/07/483970907.db2.gz JVOOTLCMHSPEQK-SJORKVTESA-N 2 1 365.522 -0.461 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000574349081 483970899 /nfs/dbraw/zinc/97/08/99/483970899.db2.gz JVOOTLCMHSPEQK-SJORKVTESA-N 2 1 365.522 -0.461 20 0 FBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C1 ZINC000574450081 483974689 /nfs/dbraw/zinc/97/46/89/483974689.db2.gz DIGAARBPODPFPM-XDQVBPFNSA-N 2 1 366.441 -0.048 20 0 FBADMP CN(C(=O)[C@H]([NH3+])C1CCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000574511017 483977781 /nfs/dbraw/zinc/97/77/81/483977781.db2.gz NVXRQBNZYNGMCU-GOSISDBHSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(C(=O)[C@@H]([NH3+])C1CCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000574511018 483977433 /nfs/dbraw/zinc/97/74/33/483977433.db2.gz NVXRQBNZYNGMCU-SFHVURJKSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574539351 483980390 /nfs/dbraw/zinc/98/03/90/483980390.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574539351 483980375 /nfs/dbraw/zinc/98/03/75/483980375.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574539351 483980368 /nfs/dbraw/zinc/98/03/68/483980368.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574539351 483980359 /nfs/dbraw/zinc/98/03/59/483980359.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574539352 483980007 /nfs/dbraw/zinc/98/00/07/483980007.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574539352 483979990 /nfs/dbraw/zinc/97/99/90/483979990.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574539352 483979980 /nfs/dbraw/zinc/97/99/80/483979980.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574539352 483979972 /nfs/dbraw/zinc/97/99/72/483979972.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574539353 483979615 /nfs/dbraw/zinc/97/96/15/483979615.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574539353 483979602 /nfs/dbraw/zinc/97/96/02/483979602.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574539353 483979596 /nfs/dbraw/zinc/97/95/96/483979596.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574539353 483979591 /nfs/dbraw/zinc/97/95/91/483979591.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574539354 483979350 /nfs/dbraw/zinc/97/93/50/483979350.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574539354 483979334 /nfs/dbraw/zinc/97/93/34/483979334.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574539354 483979328 /nfs/dbraw/zinc/97/93/28/483979328.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574539354 483979323 /nfs/dbraw/zinc/97/93/23/483979323.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[NH+](C)C1)C2 ZINC000574545978 483979508 /nfs/dbraw/zinc/97/95/08/483979508.db2.gz HYQWXUDHYRKPIS-KRWWSPQJSA-N 2 1 367.494 -0.564 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[NH+](C)C1)C2 ZINC000574545979 483980710 /nfs/dbraw/zinc/98/07/10/483980710.db2.gz HYQWXUDHYRKPIS-MUSFGAPCSA-N 2 1 367.494 -0.564 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000574644869 483986356 /nfs/dbraw/zinc/98/63/56/483986356.db2.gz IBLLQVYGBXBCJE-UHFFFAOYSA-N 2 1 354.495 -0.121 20 0 FBADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000574668644 483987904 /nfs/dbraw/zinc/98/79/04/483987904.db2.gz YRHHRFDJOPDFQL-UHFFFAOYSA-N 2 1 359.474 -0.602 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000574704817 483990051 /nfs/dbraw/zinc/99/00/51/483990051.db2.gz RKYOXOMELFXROC-INIZCTEOSA-N 2 1 369.510 -0.003 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000574704822 483989936 /nfs/dbraw/zinc/98/99/36/483989936.db2.gz RKYOXOMELFXROC-MRXNPFEDSA-N 2 1 369.510 -0.003 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000574736907 483991716 /nfs/dbraw/zinc/99/17/16/483991716.db2.gz SYCMRPHFSZYHNT-DLBZAZTESA-N 3 1 367.538 -0.119 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000574736910 483991815 /nfs/dbraw/zinc/99/18/15/483991815.db2.gz SYCMRPHFSZYHNT-IAGOWNOFSA-N 3 1 367.538 -0.119 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000574736912 483991998 /nfs/dbraw/zinc/99/19/98/483991998.db2.gz SYCMRPHFSZYHNT-IRXDYDNUSA-N 3 1 367.538 -0.119 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000574736913 483991312 /nfs/dbraw/zinc/99/13/12/483991312.db2.gz SYCMRPHFSZYHNT-SJORKVTESA-N 3 1 367.538 -0.119 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H](C)[N@@H+]1C ZINC000574748801 483991697 /nfs/dbraw/zinc/99/16/97/483991697.db2.gz CCFWVEVJYBGQBC-QXSJWSMHSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H](C)[N@H+]1C ZINC000574748801 483991687 /nfs/dbraw/zinc/99/16/87/483991687.db2.gz CCFWVEVJYBGQBC-QXSJWSMHSA-N 2 1 364.490 -0.236 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000574802637 483995000 /nfs/dbraw/zinc/99/50/00/483995000.db2.gz BSJPFNXHYVWRKC-CVEARBPZSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000574802639 483994801 /nfs/dbraw/zinc/99/48/01/483994801.db2.gz BSJPFNXHYVWRKC-HOTGVXAUSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000574802641 483995350 /nfs/dbraw/zinc/99/53/50/483995350.db2.gz BSJPFNXHYVWRKC-HZPDHXFCSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000574802643 483994836 /nfs/dbraw/zinc/99/48/36/483994836.db2.gz BSJPFNXHYVWRKC-JKSUJKDBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000574856732 483999172 /nfs/dbraw/zinc/99/91/72/483999172.db2.gz KRTUULTWLJHISW-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574921398 484261247 /nfs/dbraw/zinc/26/12/47/484261247.db2.gz YEJDSTRQJLDNLE-GDBMZVCRSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574921399 484262257 /nfs/dbraw/zinc/26/22/57/484262257.db2.gz YEJDSTRQJLDNLE-GOEBONIOSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574921400 484261837 /nfs/dbraw/zinc/26/18/37/484261837.db2.gz YEJDSTRQJLDNLE-HOCLYGCPSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574921401 484262043 /nfs/dbraw/zinc/26/20/43/484262043.db2.gz YEJDSTRQJLDNLE-ZBFHGGJFSA-N 2 1 364.490 -0.044 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978034 484287906 /nfs/dbraw/zinc/28/79/06/484287906.db2.gz QSKFLNBTMYTAON-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978034 484287899 /nfs/dbraw/zinc/28/78/99/484287899.db2.gz QSKFLNBTMYTAON-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574978034 484287894 /nfs/dbraw/zinc/28/78/94/484287894.db2.gz QSKFLNBTMYTAON-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978035 484288522 /nfs/dbraw/zinc/28/85/22/484288522.db2.gz QSKFLNBTMYTAON-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978035 484288515 /nfs/dbraw/zinc/28/85/15/484288515.db2.gz QSKFLNBTMYTAON-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574978035 484288508 /nfs/dbraw/zinc/28/85/08/484288508.db2.gz QSKFLNBTMYTAON-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978036 484287548 /nfs/dbraw/zinc/28/75/48/484287548.db2.gz QSKFLNBTMYTAON-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978036 484287541 /nfs/dbraw/zinc/28/75/41/484287541.db2.gz QSKFLNBTMYTAON-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574978036 484287535 /nfs/dbraw/zinc/28/75/35/484287535.db2.gz QSKFLNBTMYTAON-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978037 484287861 /nfs/dbraw/zinc/28/78/61/484287861.db2.gz QSKFLNBTMYTAON-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978037 484287853 /nfs/dbraw/zinc/28/78/53/484287853.db2.gz QSKFLNBTMYTAON-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574978037 484287848 /nfs/dbraw/zinc/28/78/48/484287848.db2.gz QSKFLNBTMYTAON-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP COC(CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000575070743 484002957 /nfs/dbraw/zinc/00/29/57/484002957.db2.gz FUXKVBMAUOBRCA-GJZGRUSLSA-N 2 1 354.495 -0.083 20 0 FBADMP COC(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000575070747 484002352 /nfs/dbraw/zinc/00/23/52/484002352.db2.gz FUXKVBMAUOBRCA-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000575070748 484003212 /nfs/dbraw/zinc/00/32/12/484003212.db2.gz FUXKVBMAUOBRCA-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000575070748 484003207 /nfs/dbraw/zinc/00/32/07/484003207.db2.gz FUXKVBMAUOBRCA-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000575070748 484003197 /nfs/dbraw/zinc/00/31/97/484003197.db2.gz FUXKVBMAUOBRCA-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000575109684 483933045 /nfs/dbraw/zinc/93/30/45/483933045.db2.gz HMFQMIRIWJXBKR-OKILXGFUSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000575181820 484010106 /nfs/dbraw/zinc/01/01/06/484010106.db2.gz DAQVECODCBBKRA-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000575228606 484012224 /nfs/dbraw/zinc/01/22/24/484012224.db2.gz NNQVCEQAFOBOSO-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000575228606 484012221 /nfs/dbraw/zinc/01/22/21/484012221.db2.gz NNQVCEQAFOBOSO-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000575228606 484012218 /nfs/dbraw/zinc/01/22/18/484012218.db2.gz NNQVCEQAFOBOSO-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000575228606 484012212 /nfs/dbraw/zinc/01/22/12/484012212.db2.gz NNQVCEQAFOBOSO-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000575228607 484011513 /nfs/dbraw/zinc/01/15/13/484011513.db2.gz NNQVCEQAFOBOSO-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000575228607 484011509 /nfs/dbraw/zinc/01/15/09/484011509.db2.gz NNQVCEQAFOBOSO-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000575228607 484011507 /nfs/dbraw/zinc/01/15/07/484011507.db2.gz NNQVCEQAFOBOSO-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000575228607 484011500 /nfs/dbraw/zinc/01/15/00/484011500.db2.gz NNQVCEQAFOBOSO-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000575228608 484011745 /nfs/dbraw/zinc/01/17/45/484011745.db2.gz NNQVCEQAFOBOSO-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000575228608 484011736 /nfs/dbraw/zinc/01/17/36/484011736.db2.gz NNQVCEQAFOBOSO-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000575228608 484011733 /nfs/dbraw/zinc/01/17/33/484011733.db2.gz NNQVCEQAFOBOSO-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000575228608 484011728 /nfs/dbraw/zinc/01/17/28/484011728.db2.gz NNQVCEQAFOBOSO-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000575228609 484012182 /nfs/dbraw/zinc/01/21/82/484012182.db2.gz NNQVCEQAFOBOSO-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000575228609 484012179 /nfs/dbraw/zinc/01/21/79/484012179.db2.gz NNQVCEQAFOBOSO-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000575228609 484012174 /nfs/dbraw/zinc/01/21/74/484012174.db2.gz NNQVCEQAFOBOSO-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000575228609 484012169 /nfs/dbraw/zinc/01/21/69/484012169.db2.gz NNQVCEQAFOBOSO-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000575243533 484012329 /nfs/dbraw/zinc/01/23/29/484012329.db2.gz HMBSQTXVVHOEEM-UHFFFAOYSA-N 2 1 366.506 -0.106 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1=O ZINC000575333835 484014433 /nfs/dbraw/zinc/01/44/33/484014433.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1=O ZINC000575333835 484014426 /nfs/dbraw/zinc/01/44/26/484014426.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC1=O ZINC000575333835 484014423 /nfs/dbraw/zinc/01/44/23/484014423.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC1=O ZINC000575333835 484014413 /nfs/dbraw/zinc/01/44/13/484014413.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCO)C[C@H]2C)CC1=O ZINC000575333835 484014404 /nfs/dbraw/zinc/01/44/04/484014404.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013681 /nfs/dbraw/zinc/01/36/81/484013681.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013672 /nfs/dbraw/zinc/01/36/72/484013672.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013667 /nfs/dbraw/zinc/01/36/67/484013667.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013661 /nfs/dbraw/zinc/01/36/61/484013661.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013655 /nfs/dbraw/zinc/01/36/55/484013655.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1=O ZINC000575333838 484014613 /nfs/dbraw/zinc/01/46/13/484014613.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1=O ZINC000575333838 484014604 /nfs/dbraw/zinc/01/46/04/484014604.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC1=O ZINC000575333838 484014599 /nfs/dbraw/zinc/01/45/99/484014599.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC1=O ZINC000575333838 484014586 /nfs/dbraw/zinc/01/45/86/484014586.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCO)C[C@H]2C)CC1=O ZINC000575333838 484014581 /nfs/dbraw/zinc/01/45/81/484014581.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013419 /nfs/dbraw/zinc/01/34/19/484013419.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013410 /nfs/dbraw/zinc/01/34/10/484013410.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013404 /nfs/dbraw/zinc/01/34/04/484013404.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013396 /nfs/dbraw/zinc/01/33/96/484013396.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013387 /nfs/dbraw/zinc/01/33/87/484013387.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000575401678 484017968 /nfs/dbraw/zinc/01/79/68/484017968.db2.gz HFLATGMLJVQGMN-KBPBESRZSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000575401679 484017849 /nfs/dbraw/zinc/01/78/49/484017849.db2.gz HFLATGMLJVQGMN-KGLIPLIRSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000575401680 484018321 /nfs/dbraw/zinc/01/83/21/484018321.db2.gz HFLATGMLJVQGMN-UONOGXRCSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000575401681 484018448 /nfs/dbraw/zinc/01/84/48/484018448.db2.gz HFLATGMLJVQGMN-ZIAGYGMSSA-N 2 1 367.494 -0.759 20 0 FBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000575435920 484018030 /nfs/dbraw/zinc/01/80/30/484018030.db2.gz DVCIGMKJBACZSL-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000575435921 484018478 /nfs/dbraw/zinc/01/84/78/484018478.db2.gz DVCIGMKJBACZSL-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000575460224 484020863 /nfs/dbraw/zinc/02/08/63/484020863.db2.gz VWEUWOGYTBPUMJ-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000575460225 484020425 /nfs/dbraw/zinc/02/04/25/484020425.db2.gz VWEUWOGYTBPUMJ-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000575460226 484020293 /nfs/dbraw/zinc/02/02/93/484020293.db2.gz VWEUWOGYTBPUMJ-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000575460227 484019690 /nfs/dbraw/zinc/01/96/90/484019690.db2.gz VWEUWOGYTBPUMJ-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735085 484022529 /nfs/dbraw/zinc/02/25/29/484022529.db2.gz OYFVCROAMQOXSH-DLBZAZTESA-N 2 1 365.522 -0.130 20 0 FBADMP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735086 484023363 /nfs/dbraw/zinc/02/33/63/484023363.db2.gz OYFVCROAMQOXSH-IAGOWNOFSA-N 2 1 365.522 -0.130 20 0 FBADMP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735087 484022779 /nfs/dbraw/zinc/02/27/79/484022779.db2.gz OYFVCROAMQOXSH-IRXDYDNUSA-N 2 1 365.522 -0.130 20 0 FBADMP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735088 484022434 /nfs/dbraw/zinc/02/24/34/484022434.db2.gz OYFVCROAMQOXSH-SJORKVTESA-N 2 1 365.522 -0.130 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000575794128 484025198 /nfs/dbraw/zinc/02/51/98/484025198.db2.gz KXFWACLSEQJRRO-BRWVUGGUSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000575794130 484024571 /nfs/dbraw/zinc/02/45/71/484024571.db2.gz KXFWACLSEQJRRO-GVDBMIGSSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000575794131 484024435 /nfs/dbraw/zinc/02/44/35/484024435.db2.gz KXFWACLSEQJRRO-IXDOHACOSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000575794132 484025287 /nfs/dbraw/zinc/02/52/87/484025287.db2.gz KXFWACLSEQJRRO-YESZJQIVSA-N 2 1 363.506 -0.565 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000575794292 484025011 /nfs/dbraw/zinc/02/50/11/484025011.db2.gz USNPXQJJAZIJSJ-CAOSSQGBSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000575794294 484024665 /nfs/dbraw/zinc/02/46/65/484024665.db2.gz USNPXQJJAZIJSJ-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000575794296 484025421 /nfs/dbraw/zinc/02/54/21/484025421.db2.gz USNPXQJJAZIJSJ-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000575794296 484025415 /nfs/dbraw/zinc/02/54/15/484025415.db2.gz USNPXQJJAZIJSJ-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000575794298 484025385 /nfs/dbraw/zinc/02/53/85/484025385.db2.gz USNPXQJJAZIJSJ-QXSJWSMHSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000575794298 484025382 /nfs/dbraw/zinc/02/53/82/484025382.db2.gz USNPXQJJAZIJSJ-QXSJWSMHSA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000575854473 484029936 /nfs/dbraw/zinc/02/99/36/484029936.db2.gz LHRPJVQRHVBKNK-INIZCTEOSA-N 2 1 353.511 -0.142 20 0 FBADMP CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000575854474 484030740 /nfs/dbraw/zinc/03/07/40/484030740.db2.gz LHRPJVQRHVBKNK-MRXNPFEDSA-N 2 1 353.511 -0.142 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000575856268 484029773 /nfs/dbraw/zinc/02/97/73/484029773.db2.gz RLACAEBPQINSGU-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000575856269 484030056 /nfs/dbraw/zinc/03/00/56/484030056.db2.gz RLACAEBPQINSGU-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000575856270 484030202 /nfs/dbraw/zinc/03/02/02/484030202.db2.gz RLACAEBPQINSGU-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000575856271 484030093 /nfs/dbraw/zinc/03/00/93/484030093.db2.gz RLACAEBPQINSGU-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000575905151 484033888 /nfs/dbraw/zinc/03/38/88/484033888.db2.gz ISWUTOCXBJOMFW-INIZCTEOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000575905152 484033371 /nfs/dbraw/zinc/03/33/71/484033371.db2.gz ISWUTOCXBJOMFW-MRXNPFEDSA-N 2 1 364.490 -0.090 20 0 FBADMP CO[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@H](C[NH3+])C1 ZINC000575925906 484033693 /nfs/dbraw/zinc/03/36/93/484033693.db2.gz DSCLGMMCULHGDU-BBWFWOEESA-N 2 1 356.511 -0.103 20 0 FBADMP CO[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C[NH3+])C1 ZINC000575925907 484034344 /nfs/dbraw/zinc/03/43/44/484034344.db2.gz DSCLGMMCULHGDU-BRWVUGGUSA-N 2 1 356.511 -0.103 20 0 FBADMP CO[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@H](C[NH3+])C1 ZINC000575925908 484034059 /nfs/dbraw/zinc/03/40/59/484034059.db2.gz DSCLGMMCULHGDU-GVDBMIGSSA-N 2 1 356.511 -0.103 20 0 FBADMP CO[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C[NH3+])C1 ZINC000575925909 484033118 /nfs/dbraw/zinc/03/31/18/484033118.db2.gz DSCLGMMCULHGDU-ZACQAIPSSA-N 2 1 356.511 -0.103 20 0 FBADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980440 484036454 /nfs/dbraw/zinc/03/64/54/484036454.db2.gz QXXKZGJCKMQMMY-NCOADZHNSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980441 484036489 /nfs/dbraw/zinc/03/64/89/484036489.db2.gz QXXKZGJCKMQMMY-QAETUUGQSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980442 484037614 /nfs/dbraw/zinc/03/76/14/484037614.db2.gz QXXKZGJCKMQMMY-QZWWFDLISA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980443 484037393 /nfs/dbraw/zinc/03/73/93/484037393.db2.gz QXXKZGJCKMQMMY-YVSFHVDLSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000575987346 484037636 /nfs/dbraw/zinc/03/76/36/484037636.db2.gz PJCLAOUKUVDHRW-AWEZNQCLSA-N 2 1 358.508 -0.303 20 0 FBADMP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000575987347 484037061 /nfs/dbraw/zinc/03/70/61/484037061.db2.gz PJCLAOUKUVDHRW-CQSZACIVSA-N 2 1 358.508 -0.303 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@H]2C1 ZINC000576008057 484039690 /nfs/dbraw/zinc/03/96/90/484039690.db2.gz HGSAPXMMAJABIO-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@H]2C1 ZINC000576008058 484039194 /nfs/dbraw/zinc/03/91/94/484039194.db2.gz HGSAPXMMAJABIO-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000576008059 484039499 /nfs/dbraw/zinc/03/94/99/484039499.db2.gz HGSAPXMMAJABIO-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000576008060 484039344 /nfs/dbraw/zinc/03/93/44/484039344.db2.gz HGSAPXMMAJABIO-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015966 484038971 /nfs/dbraw/zinc/03/89/71/484038971.db2.gz OOOCWLXSIOFDCG-BPQIPLTHSA-N 2 1 373.501 -0.276 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015967 484038606 /nfs/dbraw/zinc/03/86/06/484038606.db2.gz OOOCWLXSIOFDCG-KBAYOESNSA-N 2 1 373.501 -0.276 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015968 484039096 /nfs/dbraw/zinc/03/90/96/484039096.db2.gz OOOCWLXSIOFDCG-NJAFHUGGSA-N 2 1 373.501 -0.276 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015969 484038908 /nfs/dbraw/zinc/03/89/08/484038908.db2.gz OOOCWLXSIOFDCG-NXHRZFHOSA-N 2 1 373.501 -0.276 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000576094206 484044125 /nfs/dbraw/zinc/04/41/25/484044125.db2.gz VVAMLDBZOZLSEV-BBWFWOEESA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000576094206 484044122 /nfs/dbraw/zinc/04/41/22/484044122.db2.gz VVAMLDBZOZLSEV-BBWFWOEESA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000576094207 484044984 /nfs/dbraw/zinc/04/49/84/484044984.db2.gz VVAMLDBZOZLSEV-IKGGRYGDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000576094207 484044977 /nfs/dbraw/zinc/04/49/77/484044977.db2.gz VVAMLDBZOZLSEV-IKGGRYGDSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000576094208 484044613 /nfs/dbraw/zinc/04/46/13/484044613.db2.gz VVAMLDBZOZLSEV-ULQDDVLXSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000576094208 484044603 /nfs/dbraw/zinc/04/46/03/484044603.db2.gz VVAMLDBZOZLSEV-ULQDDVLXSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000576094209 484044184 /nfs/dbraw/zinc/04/41/84/484044184.db2.gz VVAMLDBZOZLSEV-ZACQAIPSSA-N 2 1 367.538 -0.073 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000576094209 484044181 /nfs/dbraw/zinc/04/41/81/484044181.db2.gz VVAMLDBZOZLSEV-ZACQAIPSSA-N 2 1 367.538 -0.073 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000576220627 484050278 /nfs/dbraw/zinc/05/02/78/484050278.db2.gz YIKYLSLREBOMSJ-HRCADAONSA-N 2 1 360.462 -0.630 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000576220627 484050270 /nfs/dbraw/zinc/05/02/70/484050270.db2.gz YIKYLSLREBOMSJ-HRCADAONSA-N 2 1 360.462 -0.630 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC000576220628 484049066 /nfs/dbraw/zinc/04/90/66/484049066.db2.gz YIKYLSLREBOMSJ-OWCLPIDISA-N 2 1 360.462 -0.630 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC000576220628 484049059 /nfs/dbraw/zinc/04/90/59/484049059.db2.gz YIKYLSLREBOMSJ-OWCLPIDISA-N 2 1 360.462 -0.630 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000576293371 484055998 /nfs/dbraw/zinc/05/59/98/484055998.db2.gz SPNCHCBJXQONRD-UHFFFAOYSA-N 2 1 357.418 -0.123 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000576329285 484055053 /nfs/dbraw/zinc/05/50/53/484055053.db2.gz SDXWEZPHWGAMKY-INIZCTEOSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000576329286 484055330 /nfs/dbraw/zinc/05/53/30/484055330.db2.gz SDXWEZPHWGAMKY-MRXNPFEDSA-N 2 1 355.527 -0.167 20 0 FBADMP C[C@@H](CN1CCOCC1)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576336018 484055554 /nfs/dbraw/zinc/05/55/54/484055554.db2.gz QPKOOSZWVMAKIU-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP C[C@H](CN1CCOCC1)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576336020 484055875 /nfs/dbraw/zinc/05/58/75/484055875.db2.gz QPKOOSZWVMAKIU-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359446 484056867 /nfs/dbraw/zinc/05/68/67/484056867.db2.gz BBLGCLUNHUVGSW-CVEARBPZSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359446 484056859 /nfs/dbraw/zinc/05/68/59/484056859.db2.gz BBLGCLUNHUVGSW-CVEARBPZSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359456 484057260 /nfs/dbraw/zinc/05/72/60/484057260.db2.gz BBLGCLUNHUVGSW-HOTGVXAUSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359456 484057258 /nfs/dbraw/zinc/05/72/58/484057258.db2.gz BBLGCLUNHUVGSW-HOTGVXAUSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359457 484057578 /nfs/dbraw/zinc/05/75/78/484057578.db2.gz BBLGCLUNHUVGSW-HZPDHXFCSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359457 484057577 /nfs/dbraw/zinc/05/75/77/484057577.db2.gz BBLGCLUNHUVGSW-HZPDHXFCSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359458 484057721 /nfs/dbraw/zinc/05/77/21/484057721.db2.gz BBLGCLUNHUVGSW-JKSUJKDBSA-N 2 1 372.473 -0.636 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000576359458 484057716 /nfs/dbraw/zinc/05/77/16/484057716.db2.gz BBLGCLUNHUVGSW-JKSUJKDBSA-N 2 1 372.473 -0.636 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000576550018 484066265 /nfs/dbraw/zinc/06/62/65/484066265.db2.gz SKQSQCOZZHUCRQ-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000576550018 484066258 /nfs/dbraw/zinc/06/62/58/484066258.db2.gz SKQSQCOZZHUCRQ-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000576550018 484066253 /nfs/dbraw/zinc/06/62/53/484066253.db2.gz SKQSQCOZZHUCRQ-CVEARBPZSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000576550019 484066022 /nfs/dbraw/zinc/06/60/22/484066022.db2.gz SKQSQCOZZHUCRQ-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000576550019 484066014 /nfs/dbraw/zinc/06/60/14/484066014.db2.gz SKQSQCOZZHUCRQ-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000576550019 484066005 /nfs/dbraw/zinc/06/60/05/484066005.db2.gz SKQSQCOZZHUCRQ-HOTGVXAUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000576550020 484066417 /nfs/dbraw/zinc/06/64/17/484066417.db2.gz SKQSQCOZZHUCRQ-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000576550020 484066414 /nfs/dbraw/zinc/06/64/14/484066414.db2.gz SKQSQCOZZHUCRQ-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000576550020 484066408 /nfs/dbraw/zinc/06/64/08/484066408.db2.gz SKQSQCOZZHUCRQ-HZPDHXFCSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000576550021 484066493 /nfs/dbraw/zinc/06/64/93/484066493.db2.gz SKQSQCOZZHUCRQ-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000576550021 484066490 /nfs/dbraw/zinc/06/64/90/484066490.db2.gz SKQSQCOZZHUCRQ-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000576550021 484066484 /nfs/dbraw/zinc/06/64/84/484066484.db2.gz SKQSQCOZZHUCRQ-JKSUJKDBSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)NCC(=O)OC)CC2)CC1 ZINC000576594820 484068177 /nfs/dbraw/zinc/06/81/77/484068177.db2.gz CQYSSTSGKATSMO-UHFFFAOYSA-N 2 1 368.478 -0.412 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H](C)O1 ZINC000576599783 484069123 /nfs/dbraw/zinc/06/91/23/484069123.db2.gz OFNNCLYTFXHNTQ-APIJFGDWSA-N 2 1 367.494 -0.172 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H](C)O1 ZINC000576599784 484069946 /nfs/dbraw/zinc/06/99/46/484069946.db2.gz OFNNCLYTFXHNTQ-KBUPBQIOSA-N 2 1 367.494 -0.172 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000576599785 484069145 /nfs/dbraw/zinc/06/91/45/484069145.db2.gz OFNNCLYTFXHNTQ-LJISPDSOSA-N 2 1 367.494 -0.172 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000576599785 484069139 /nfs/dbraw/zinc/06/91/39/484069139.db2.gz OFNNCLYTFXHNTQ-LJISPDSOSA-N 2 1 367.494 -0.172 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000576599787 484069414 /nfs/dbraw/zinc/06/94/14/484069414.db2.gz OFNNCLYTFXHNTQ-LXTVHRRPSA-N 2 1 367.494 -0.172 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000576599787 484069408 /nfs/dbraw/zinc/06/94/08/484069408.db2.gz OFNNCLYTFXHNTQ-LXTVHRRPSA-N 2 1 367.494 -0.172 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626904 484069078 /nfs/dbraw/zinc/06/90/78/484069078.db2.gz RONFOAXOOHILHK-BRWVUGGUSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626905 484069255 /nfs/dbraw/zinc/06/92/55/484069255.db2.gz RONFOAXOOHILHK-IKGGRYGDSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626906 484069389 /nfs/dbraw/zinc/06/93/89/484069389.db2.gz RONFOAXOOHILHK-IXDOHACOSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626907 484069676 /nfs/dbraw/zinc/06/96/76/484069676.db2.gz RONFOAXOOHILHK-ZACQAIPSSA-N 2 1 363.506 -0.422 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)cc[nH+]1 ZINC000576633777 484071459 /nfs/dbraw/zinc/07/14/59/484071459.db2.gz OYMLXIGGYYKXDG-UHFFFAOYSA-N 2 1 359.438 -0.555 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576650235 484071576 /nfs/dbraw/zinc/07/15/76/484071576.db2.gz XIOACWPNMYZFMC-BZUAXINKSA-N 2 1 366.510 -0.787 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576650236 484071529 /nfs/dbraw/zinc/07/15/29/484071529.db2.gz XIOACWPNMYZFMC-OAGGEKHMSA-N 2 1 366.510 -0.787 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000576650237 484071016 /nfs/dbraw/zinc/07/10/16/484071016.db2.gz XIOACWPNMYZFMC-OWCLPIDISA-N 2 1 366.510 -0.787 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000576650238 484071752 /nfs/dbraw/zinc/07/17/52/484071752.db2.gz XIOACWPNMYZFMC-PMPSAXMXSA-N 2 1 366.510 -0.787 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000576700453 484075291 /nfs/dbraw/zinc/07/52/91/484075291.db2.gz FSOWUXBYDAUIKI-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000576700454 484074233 /nfs/dbraw/zinc/07/42/33/484074233.db2.gz FSOWUXBYDAUIKI-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O ZINC000576706982 484075233 /nfs/dbraw/zinc/07/52/33/484075233.db2.gz HCUPEJABUZUAJW-ARFHVFGLSA-N 2 1 351.495 -0.661 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O ZINC000576706983 484074685 /nfs/dbraw/zinc/07/46/85/484074685.db2.gz HCUPEJABUZUAJW-BZUAXINKSA-N 2 1 351.495 -0.661 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O ZINC000576706984 484074900 /nfs/dbraw/zinc/07/49/00/484074900.db2.gz HCUPEJABUZUAJW-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O ZINC000576706985 484074304 /nfs/dbraw/zinc/07/43/04/484074304.db2.gz HCUPEJABUZUAJW-XHSDSOJGSA-N 2 1 351.495 -0.661 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000576721195 484074803 /nfs/dbraw/zinc/07/48/03/484074803.db2.gz ABYOOEUBACXTAL-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576732831 484076477 /nfs/dbraw/zinc/07/64/77/484076477.db2.gz QLZFVRKTUPFICW-CVEARBPZSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576732840 484075771 /nfs/dbraw/zinc/07/57/71/484075771.db2.gz QLZFVRKTUPFICW-HOTGVXAUSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576732842 484077053 /nfs/dbraw/zinc/07/70/53/484077053.db2.gz QLZFVRKTUPFICW-HZPDHXFCSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576732844 484076337 /nfs/dbraw/zinc/07/63/37/484076337.db2.gz QLZFVRKTUPFICW-JKSUJKDBSA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000576787376 484078213 /nfs/dbraw/zinc/07/82/13/484078213.db2.gz CLKQYPBQCDXNHY-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000576787376 484078205 /nfs/dbraw/zinc/07/82/05/484078205.db2.gz CLKQYPBQCDXNHY-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000576787376 484078197 /nfs/dbraw/zinc/07/81/97/484078197.db2.gz CLKQYPBQCDXNHY-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000576787376 484078192 /nfs/dbraw/zinc/07/81/92/484078192.db2.gz CLKQYPBQCDXNHY-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000576787379 484078450 /nfs/dbraw/zinc/07/84/50/484078450.db2.gz CLKQYPBQCDXNHY-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000576787379 484078445 /nfs/dbraw/zinc/07/84/45/484078445.db2.gz CLKQYPBQCDXNHY-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000576787379 484078442 /nfs/dbraw/zinc/07/84/42/484078442.db2.gz CLKQYPBQCDXNHY-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000576787379 484078435 /nfs/dbraw/zinc/07/84/35/484078435.db2.gz CLKQYPBQCDXNHY-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787380 484077813 /nfs/dbraw/zinc/07/78/13/484077813.db2.gz CLKQYPBQCDXNHY-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787380 484077804 /nfs/dbraw/zinc/07/78/04/484077804.db2.gz CLKQYPBQCDXNHY-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787380 484077795 /nfs/dbraw/zinc/07/77/95/484077795.db2.gz CLKQYPBQCDXNHY-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787380 484077789 /nfs/dbraw/zinc/07/77/89/484077789.db2.gz CLKQYPBQCDXNHY-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787381 484078863 /nfs/dbraw/zinc/07/88/63/484078863.db2.gz CLKQYPBQCDXNHY-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787381 484078859 /nfs/dbraw/zinc/07/88/59/484078859.db2.gz CLKQYPBQCDXNHY-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787381 484078848 /nfs/dbraw/zinc/07/88/48/484078848.db2.gz CLKQYPBQCDXNHY-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000576787381 484078841 /nfs/dbraw/zinc/07/88/41/484078841.db2.gz CLKQYPBQCDXNHY-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000576821891 484079899 /nfs/dbraw/zinc/07/98/99/484079899.db2.gz GYYPBMSCMPJDEV-UHFFFAOYSA-N 2 1 350.444 -0.651 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000576949014 484085109 /nfs/dbraw/zinc/08/51/09/484085109.db2.gz UYYOHDZWRWKNSR-DOTOQJQBSA-N 2 1 372.535 -0.098 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000576949015 484085699 /nfs/dbraw/zinc/08/56/99/484085699.db2.gz UYYOHDZWRWKNSR-NVXWUHKLSA-N 2 1 372.535 -0.098 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000576949016 484086210 /nfs/dbraw/zinc/08/62/10/484086210.db2.gz UYYOHDZWRWKNSR-RDJZCZTQSA-N 2 1 372.535 -0.098 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000576949017 484085465 /nfs/dbraw/zinc/08/54/65/484085465.db2.gz UYYOHDZWRWKNSR-WBVHZDCISA-N 2 1 372.535 -0.098 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccn(CC(N)=O)n3)CC2)CC1 ZINC000577073114 484349304 /nfs/dbraw/zinc/34/93/04/484349304.db2.gz JLJDLHLIUFMEHF-UHFFFAOYSA-N 2 1 362.478 0.503 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000577109479 484100539 /nfs/dbraw/zinc/10/05/39/484100539.db2.gz WPGDDGBLORGJMU-INIZCTEOSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144224 484101507 /nfs/dbraw/zinc/10/15/07/484101507.db2.gz ARWNXSPICVQTHU-DZGCQCFKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144224 484101499 /nfs/dbraw/zinc/10/14/99/484101499.db2.gz ARWNXSPICVQTHU-DZGCQCFKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144225 484101990 /nfs/dbraw/zinc/10/19/90/484101990.db2.gz ARWNXSPICVQTHU-HIFRSBDPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144225 484101984 /nfs/dbraw/zinc/10/19/84/484101984.db2.gz ARWNXSPICVQTHU-HIFRSBDPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144226 484101316 /nfs/dbraw/zinc/10/13/16/484101316.db2.gz ARWNXSPICVQTHU-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144226 484101309 /nfs/dbraw/zinc/10/13/09/484101309.db2.gz ARWNXSPICVQTHU-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144227 484101762 /nfs/dbraw/zinc/10/17/62/484101762.db2.gz ARWNXSPICVQTHU-ZFWWWQNUSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000577144227 484101756 /nfs/dbraw/zinc/10/17/56/484101756.db2.gz ARWNXSPICVQTHU-ZFWWWQNUSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000577247827 484110131 /nfs/dbraw/zinc/11/01/31/484110131.db2.gz PWUVDKSVAZPOSI-HNNXBMFYSA-N 3 1 353.511 -0.295 20 0 FBADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000577247828 484109977 /nfs/dbraw/zinc/10/99/77/484109977.db2.gz PWUVDKSVAZPOSI-OAHLLOKOSA-N 3 1 353.511 -0.295 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577287209 484111825 /nfs/dbraw/zinc/11/18/25/484111825.db2.gz AAHTVVZFPXIPNS-UHFFFAOYSA-N 2 1 356.467 -0.948 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000577303894 484111409 /nfs/dbraw/zinc/11/14/09/484111409.db2.gz VDYOYCOQLVCRSU-UHFFFAOYSA-N 2 1 367.538 -0.070 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577356876 484114458 /nfs/dbraw/zinc/11/44/58/484114458.db2.gz ZXODXTMJRORWEQ-CVEARBPZSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577356877 484114267 /nfs/dbraw/zinc/11/42/67/484114267.db2.gz ZXODXTMJRORWEQ-HOTGVXAUSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577356878 484114711 /nfs/dbraw/zinc/11/47/11/484114711.db2.gz ZXODXTMJRORWEQ-HZPDHXFCSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577356879 484114077 /nfs/dbraw/zinc/11/40/77/484114077.db2.gz ZXODXTMJRORWEQ-JKSUJKDBSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@H]([NH3+])CCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000577375007 484114849 /nfs/dbraw/zinc/11/48/49/484114849.db2.gz OXPXZAFSXOVERO-HNNXBMFYSA-N 2 1 353.511 -0.189 20 0 FBADMP C[C@@H]([NH3+])CCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000577375014 484114826 /nfs/dbraw/zinc/11/48/26/484114826.db2.gz OXPXZAFSXOVERO-OAHLLOKOSA-N 2 1 353.511 -0.189 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000577396703 484116112 /nfs/dbraw/zinc/11/61/12/484116112.db2.gz XYKCDPOMBYVAAD-CVEARBPZSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000577396705 484115811 /nfs/dbraw/zinc/11/58/11/484115811.db2.gz XYKCDPOMBYVAAD-HOTGVXAUSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000577396706 484116285 /nfs/dbraw/zinc/11/62/85/484116285.db2.gz XYKCDPOMBYVAAD-HZPDHXFCSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000577396708 484115514 /nfs/dbraw/zinc/11/55/14/484115514.db2.gz XYKCDPOMBYVAAD-JKSUJKDBSA-N 2 1 352.479 -0.185 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000577467663 484117776 /nfs/dbraw/zinc/11/77/76/484117776.db2.gz JPNUBVGYZNCYGU-JKSUJKDBSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000577477915 484117446 /nfs/dbraw/zinc/11/74/46/484117446.db2.gz VYFSRASRMAUEQZ-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000577477916 484117658 /nfs/dbraw/zinc/11/76/58/484117658.db2.gz VYFSRASRMAUEQZ-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000577477917 484117738 /nfs/dbraw/zinc/11/77/38/484117738.db2.gz VYFSRASRMAUEQZ-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000577597333 484123580 /nfs/dbraw/zinc/12/35/80/484123580.db2.gz JTFHMUBMBYBUFJ-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000577597333 484123574 /nfs/dbraw/zinc/12/35/74/484123574.db2.gz JTFHMUBMBYBUFJ-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000577597334 484123416 /nfs/dbraw/zinc/12/34/16/484123416.db2.gz JTFHMUBMBYBUFJ-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000577597334 484123411 /nfs/dbraw/zinc/12/34/11/484123411.db2.gz JTFHMUBMBYBUFJ-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000577597335 484124009 /nfs/dbraw/zinc/12/40/09/484124009.db2.gz JTFHMUBMBYBUFJ-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000577597335 484124001 /nfs/dbraw/zinc/12/40/01/484124001.db2.gz JTFHMUBMBYBUFJ-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000577597336 484123116 /nfs/dbraw/zinc/12/31/16/484123116.db2.gz JTFHMUBMBYBUFJ-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000577597336 484123110 /nfs/dbraw/zinc/12/31/10/484123110.db2.gz JTFHMUBMBYBUFJ-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000577612433 484123985 /nfs/dbraw/zinc/12/39/85/484123985.db2.gz WPGDDGBLORGJMU-MRXNPFEDSA-N 2 1 352.479 -0.185 20 0 FBADMP Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000577612774 484123608 /nfs/dbraw/zinc/12/36/08/484123608.db2.gz PWQIYKAZZVWONQ-CABCVRRESA-N 2 1 360.462 -0.583 20 0 FBADMP Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000577612775 484124541 /nfs/dbraw/zinc/12/45/41/484124541.db2.gz PWQIYKAZZVWONQ-GJZGRUSLSA-N 2 1 360.462 -0.583 20 0 FBADMP Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000577612776 484123870 /nfs/dbraw/zinc/12/38/70/484123870.db2.gz PWQIYKAZZVWONQ-HUUCEWRRSA-N 2 1 360.462 -0.583 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1=O ZINC000577614887 484126461 /nfs/dbraw/zinc/12/64/61/484126461.db2.gz XZIOILHIMBUXLJ-GTPINHCMSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1=O ZINC000577614888 484125675 /nfs/dbraw/zinc/12/56/75/484125675.db2.gz XZIOILHIMBUXLJ-KLAILNCOSA-N 2 1 365.522 -0.271 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577633901 484125087 /nfs/dbraw/zinc/12/50/87/484125087.db2.gz FOHNOWDBQLMJGO-CVEARBPZSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577633901 484125078 /nfs/dbraw/zinc/12/50/78/484125078.db2.gz FOHNOWDBQLMJGO-CVEARBPZSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577633902 484125307 /nfs/dbraw/zinc/12/53/07/484125307.db2.gz FOHNOWDBQLMJGO-HOTGVXAUSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577633902 484125297 /nfs/dbraw/zinc/12/52/97/484125297.db2.gz FOHNOWDBQLMJGO-HOTGVXAUSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577633903 484125136 /nfs/dbraw/zinc/12/51/36/484125136.db2.gz FOHNOWDBQLMJGO-HZPDHXFCSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577633903 484125130 /nfs/dbraw/zinc/12/51/30/484125130.db2.gz FOHNOWDBQLMJGO-HZPDHXFCSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577633904 484126317 /nfs/dbraw/zinc/12/63/17/484126317.db2.gz FOHNOWDBQLMJGO-JKSUJKDBSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577633904 484126310 /nfs/dbraw/zinc/12/63/10/484126310.db2.gz FOHNOWDBQLMJGO-JKSUJKDBSA-N 2 1 364.490 -0.232 20 0 FBADMP COCC[NH2+]CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000577635228 484126849 /nfs/dbraw/zinc/12/68/49/484126849.db2.gz ZYECKUXGHFVICY-HNNXBMFYSA-N 2 1 356.467 -0.948 20 0 FBADMP COCC[NH2+]CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000577635230 484127927 /nfs/dbraw/zinc/12/79/27/484127927.db2.gz ZYECKUXGHFVICY-OAHLLOKOSA-N 2 1 356.467 -0.948 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000577679568 484129091 /nfs/dbraw/zinc/12/90/91/484129091.db2.gz SWAGTQXIQWIFHU-PBHICJAKSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679568 484129085 /nfs/dbraw/zinc/12/90/85/484129085.db2.gz SWAGTQXIQWIFHU-PBHICJAKSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000577679569 484128995 /nfs/dbraw/zinc/12/89/95/484128995.db2.gz SWAGTQXIQWIFHU-RHSMWYFYSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679569 484128987 /nfs/dbraw/zinc/12/89/87/484128987.db2.gz SWAGTQXIQWIFHU-RHSMWYFYSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000577679570 484129139 /nfs/dbraw/zinc/12/91/39/484129139.db2.gz SWAGTQXIQWIFHU-WMLDXEAASA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679570 484129133 /nfs/dbraw/zinc/12/91/33/484129133.db2.gz SWAGTQXIQWIFHU-WMLDXEAASA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000577679571 484129533 /nfs/dbraw/zinc/12/95/33/484129533.db2.gz SWAGTQXIQWIFHU-YOEHRIQHSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679571 484129529 /nfs/dbraw/zinc/12/95/29/484129529.db2.gz SWAGTQXIQWIFHU-YOEHRIQHSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000577705598 484129629 /nfs/dbraw/zinc/12/96/29/484129629.db2.gz VGUZJKUUGCRAPP-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H]1C ZINC000577705598 484129623 /nfs/dbraw/zinc/12/96/23/484129623.db2.gz VGUZJKUUGCRAPP-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000577705598 484129616 /nfs/dbraw/zinc/12/96/16/484129616.db2.gz VGUZJKUUGCRAPP-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000577705598 484129613 /nfs/dbraw/zinc/12/96/13/484129613.db2.gz VGUZJKUUGCRAPP-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000577705598 484129606 /nfs/dbraw/zinc/12/96/06/484129606.db2.gz VGUZJKUUGCRAPP-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000577705599 484129818 /nfs/dbraw/zinc/12/98/18/484129818.db2.gz VGUZJKUUGCRAPP-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H]1C ZINC000577705599 484129815 /nfs/dbraw/zinc/12/98/15/484129815.db2.gz VGUZJKUUGCRAPP-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000577705599 484129812 /nfs/dbraw/zinc/12/98/12/484129812.db2.gz VGUZJKUUGCRAPP-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000577705599 484129807 /nfs/dbraw/zinc/12/98/07/484129807.db2.gz VGUZJKUUGCRAPP-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000577705599 484129805 /nfs/dbraw/zinc/12/98/05/484129805.db2.gz VGUZJKUUGCRAPP-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H]1C ZINC000577705600 484128929 /nfs/dbraw/zinc/12/89/29/484128929.db2.gz VGUZJKUUGCRAPP-RVKKMQEKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H]1C ZINC000577705600 484128926 /nfs/dbraw/zinc/12/89/26/484128926.db2.gz VGUZJKUUGCRAPP-RVKKMQEKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H]1C ZINC000577705600 484128919 /nfs/dbraw/zinc/12/89/19/484128919.db2.gz VGUZJKUUGCRAPP-RVKKMQEKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H]1C ZINC000577705600 484128913 /nfs/dbraw/zinc/12/89/13/484128913.db2.gz VGUZJKUUGCRAPP-RVKKMQEKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H]1C ZINC000577705600 484128908 /nfs/dbraw/zinc/12/89/08/484128908.db2.gz VGUZJKUUGCRAPP-RVKKMQEKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H]1C ZINC000577705601 484128773 /nfs/dbraw/zinc/12/87/73/484128773.db2.gz VGUZJKUUGCRAPP-VKJFTORMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H]1C ZINC000577705601 484128769 /nfs/dbraw/zinc/12/87/69/484128769.db2.gz VGUZJKUUGCRAPP-VKJFTORMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H]1C ZINC000577705601 484128764 /nfs/dbraw/zinc/12/87/64/484128764.db2.gz VGUZJKUUGCRAPP-VKJFTORMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H]1C ZINC000577705601 484128757 /nfs/dbraw/zinc/12/87/57/484128757.db2.gz VGUZJKUUGCRAPP-VKJFTORMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H]1C ZINC000577705601 484128753 /nfs/dbraw/zinc/12/87/53/484128753.db2.gz VGUZJKUUGCRAPP-VKJFTORMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755166 484131201 /nfs/dbraw/zinc/13/12/01/484131201.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755166 484131194 /nfs/dbraw/zinc/13/11/94/484131194.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755166 484131187 /nfs/dbraw/zinc/13/11/87/484131187.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755167 484130522 /nfs/dbraw/zinc/13/05/22/484130522.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755167 484130515 /nfs/dbraw/zinc/13/05/15/484130515.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755167 484130509 /nfs/dbraw/zinc/13/05/09/484130509.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755168 484130418 /nfs/dbraw/zinc/13/04/18/484130418.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000577755168 484130409 /nfs/dbraw/zinc/13/04/09/484130409.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755168 484130399 /nfs/dbraw/zinc/13/03/99/484130399.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000577755169 484130898 /nfs/dbraw/zinc/13/08/98/484130898.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000577755169 484130892 /nfs/dbraw/zinc/13/08/92/484130892.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 2 1 365.522 -0.247 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000577755169 484130883 /nfs/dbraw/zinc/13/08/83/484130883.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 2 1 365.522 -0.247 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000577760869 484133179 /nfs/dbraw/zinc/13/31/79/484133179.db2.gz VLCXQRPBILSPMI-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000577760869 484133176 /nfs/dbraw/zinc/13/31/76/484133176.db2.gz VLCXQRPBILSPMI-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000577760869 484133171 /nfs/dbraw/zinc/13/31/71/484133171.db2.gz VLCXQRPBILSPMI-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000577832934 484133896 /nfs/dbraw/zinc/13/38/96/484133896.db2.gz VEKCOKVPOQKTSO-DOTOQJQBSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000577832935 484133868 /nfs/dbraw/zinc/13/38/68/484133868.db2.gz VEKCOKVPOQKTSO-NVXWUHKLSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000577832936 484133837 /nfs/dbraw/zinc/13/38/37/484133837.db2.gz VEKCOKVPOQKTSO-RDJZCZTQSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000577832937 484134218 /nfs/dbraw/zinc/13/42/18/484134218.db2.gz VEKCOKVPOQKTSO-WBVHZDCISA-N 2 1 361.490 -0.276 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000577833299 484134664 /nfs/dbraw/zinc/13/46/64/484134664.db2.gz OFWNHHYGRYUODL-CVEARBPZSA-N 2 1 364.490 -0.042 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577844610 484135883 /nfs/dbraw/zinc/13/58/83/484135883.db2.gz IVYMRNAQHJJDMZ-BHYGNILZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577844610 484135877 /nfs/dbraw/zinc/13/58/77/484135877.db2.gz IVYMRNAQHJJDMZ-BHYGNILZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577844611 484135620 /nfs/dbraw/zinc/13/56/20/484135620.db2.gz IVYMRNAQHJJDMZ-HYVNUMGLSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577844611 484135613 /nfs/dbraw/zinc/13/56/13/484135613.db2.gz IVYMRNAQHJJDMZ-HYVNUMGLSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577844612 484136422 /nfs/dbraw/zinc/13/64/22/484136422.db2.gz IVYMRNAQHJJDMZ-PVAVHDDUSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577844612 484136419 /nfs/dbraw/zinc/13/64/19/484136419.db2.gz IVYMRNAQHJJDMZ-PVAVHDDUSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577844613 484136386 /nfs/dbraw/zinc/13/63/86/484136386.db2.gz IVYMRNAQHJJDMZ-XIRDDKMYSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577844613 484136382 /nfs/dbraw/zinc/13/63/82/484136382.db2.gz IVYMRNAQHJJDMZ-XIRDDKMYSA-N 2 1 360.458 -0.048 20 0 FBADMP C[N@@H+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000577844662 484136126 /nfs/dbraw/zinc/13/61/26/484136126.db2.gz OBGLGXZBVDTPKW-UHFFFAOYSA-N 2 1 367.494 -0.695 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000577868112 484136592 /nfs/dbraw/zinc/13/65/92/484136592.db2.gz TVDKZXDCJOCSQL-HNNXBMFYSA-N 2 1 369.510 -0.315 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000577868112 484136588 /nfs/dbraw/zinc/13/65/88/484136588.db2.gz TVDKZXDCJOCSQL-HNNXBMFYSA-N 2 1 369.510 -0.315 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000577868113 484135344 /nfs/dbraw/zinc/13/53/44/484135344.db2.gz TVDKZXDCJOCSQL-OAHLLOKOSA-N 2 1 369.510 -0.315 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000577868113 484135337 /nfs/dbraw/zinc/13/53/37/484135337.db2.gz TVDKZXDCJOCSQL-OAHLLOKOSA-N 2 1 369.510 -0.315 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577869094 484135820 /nfs/dbraw/zinc/13/58/20/484135820.db2.gz VPMUPVBBSYEUDL-HNNXBMFYSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577869094 484135815 /nfs/dbraw/zinc/13/58/15/484135815.db2.gz VPMUPVBBSYEUDL-HNNXBMFYSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869094 484135809 /nfs/dbraw/zinc/13/58/09/484135809.db2.gz VPMUPVBBSYEUDL-HNNXBMFYSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577869095 484136072 /nfs/dbraw/zinc/13/60/72/484136072.db2.gz VPMUPVBBSYEUDL-OAHLLOKOSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577869095 484136069 /nfs/dbraw/zinc/13/60/69/484136069.db2.gz VPMUPVBBSYEUDL-OAHLLOKOSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869095 484136065 /nfs/dbraw/zinc/13/60/65/484136065.db2.gz VPMUPVBBSYEUDL-OAHLLOKOSA-N 2 1 358.508 -0.305 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000577903438 484140212 /nfs/dbraw/zinc/14/02/12/484140212.db2.gz FYVOXBJPUJNYLJ-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000577903438 484140206 /nfs/dbraw/zinc/14/02/06/484140206.db2.gz FYVOXBJPUJNYLJ-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1C ZINC000577903438 484140201 /nfs/dbraw/zinc/14/02/01/484140201.db2.gz FYVOXBJPUJNYLJ-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1C ZINC000577903438 484140197 /nfs/dbraw/zinc/14/01/97/484140197.db2.gz FYVOXBJPUJNYLJ-ILXRZTDVSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000577903441 484139616 /nfs/dbraw/zinc/13/96/16/484139616.db2.gz FYVOXBJPUJNYLJ-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000577903441 484139610 /nfs/dbraw/zinc/13/96/10/484139610.db2.gz FYVOXBJPUJNYLJ-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000577903441 484139604 /nfs/dbraw/zinc/13/96/04/484139604.db2.gz FYVOXBJPUJNYLJ-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000577903441 484139599 /nfs/dbraw/zinc/13/95/99/484139599.db2.gz FYVOXBJPUJNYLJ-KFWWJZLASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000577903443 484140050 /nfs/dbraw/zinc/14/00/50/484140050.db2.gz FYVOXBJPUJNYLJ-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000577903443 484140045 /nfs/dbraw/zinc/14/00/45/484140045.db2.gz FYVOXBJPUJNYLJ-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1C ZINC000577903443 484140037 /nfs/dbraw/zinc/14/00/37/484140037.db2.gz FYVOXBJPUJNYLJ-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1C ZINC000577903443 484140032 /nfs/dbraw/zinc/14/00/32/484140032.db2.gz FYVOXBJPUJNYLJ-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000577903445 484139264 /nfs/dbraw/zinc/13/92/64/484139264.db2.gz FYVOXBJPUJNYLJ-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000577903445 484139259 /nfs/dbraw/zinc/13/92/59/484139259.db2.gz FYVOXBJPUJNYLJ-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000577903445 484139252 /nfs/dbraw/zinc/13/92/52/484139252.db2.gz FYVOXBJPUJNYLJ-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000577903445 484139243 /nfs/dbraw/zinc/13/92/43/484139243.db2.gz FYVOXBJPUJNYLJ-RBSFLKMASA-N 2 1 354.495 -0.111 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000577905471 484139772 /nfs/dbraw/zinc/13/97/72/484139772.db2.gz JEFHKZULZMNYGZ-DOTOQJQBSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000577905472 484139913 /nfs/dbraw/zinc/13/99/13/484139913.db2.gz JEFHKZULZMNYGZ-NVXWUHKLSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000577905473 484138975 /nfs/dbraw/zinc/13/89/75/484138975.db2.gz JEFHKZULZMNYGZ-RDJZCZTQSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000577905474 484140066 /nfs/dbraw/zinc/14/00/66/484140066.db2.gz JEFHKZULZMNYGZ-WBVHZDCISA-N 2 1 364.490 -0.090 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000577942678 484145736 /nfs/dbraw/zinc/14/57/36/484145736.db2.gz GCULVMBDLBYCQD-CABCVRRESA-N 2 1 363.462 -0.366 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000577942679 484144909 /nfs/dbraw/zinc/14/49/09/484144909.db2.gz GCULVMBDLBYCQD-GJZGRUSLSA-N 2 1 363.462 -0.366 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000577942680 484145760 /nfs/dbraw/zinc/14/57/60/484145760.db2.gz GCULVMBDLBYCQD-HUUCEWRRSA-N 2 1 363.462 -0.366 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000577942681 484144558 /nfs/dbraw/zinc/14/45/58/484144558.db2.gz GCULVMBDLBYCQD-LSDHHAIUSA-N 2 1 363.462 -0.366 20 0 FBADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577942767 484145727 /nfs/dbraw/zinc/14/57/27/484145727.db2.gz RCPYUGAEUPDGPU-DOOHLRMFSA-N 2 1 371.507 -0.869 20 0 FBADMP C[NH+]1CCN([C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000577951676 484149525 /nfs/dbraw/zinc/14/95/25/484149525.db2.gz JXUIHMUNRBHQIY-GOSISDBHSA-N 2 1 359.474 -0.477 20 0 FBADMP C[NH+]1CCN([C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000577951677 484149556 /nfs/dbraw/zinc/14/95/56/484149556.db2.gz JXUIHMUNRBHQIY-SFHVURJKSA-N 2 1 359.474 -0.477 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000578001378 484152917 /nfs/dbraw/zinc/15/29/17/484152917.db2.gz MQEUEWSDWWBBHB-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000578001378 484152914 /nfs/dbraw/zinc/15/29/14/484152914.db2.gz MQEUEWSDWWBBHB-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001378 484152905 /nfs/dbraw/zinc/15/29/05/484152905.db2.gz MQEUEWSDWWBBHB-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000578001379 484153581 /nfs/dbraw/zinc/15/35/81/484153581.db2.gz MQEUEWSDWWBBHB-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000578001379 484153580 /nfs/dbraw/zinc/15/35/80/484153580.db2.gz MQEUEWSDWWBBHB-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001379 484153576 /nfs/dbraw/zinc/15/35/76/484153576.db2.gz MQEUEWSDWWBBHB-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000578001380 484153434 /nfs/dbraw/zinc/15/34/34/484153434.db2.gz MQEUEWSDWWBBHB-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000578001380 484153426 /nfs/dbraw/zinc/15/34/26/484153426.db2.gz MQEUEWSDWWBBHB-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001380 484153420 /nfs/dbraw/zinc/15/34/20/484153420.db2.gz MQEUEWSDWWBBHB-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000578001381 484153127 /nfs/dbraw/zinc/15/31/27/484153127.db2.gz MQEUEWSDWWBBHB-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000578001381 484153122 /nfs/dbraw/zinc/15/31/22/484153122.db2.gz MQEUEWSDWWBBHB-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001381 484153118 /nfs/dbraw/zinc/15/31/18/484153118.db2.gz MQEUEWSDWWBBHB-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C[C@H]2[NH3+])cn1 ZINC000578005922 484152590 /nfs/dbraw/zinc/15/25/90/484152590.db2.gz CSRBTNDVQUCBRB-DAYGRLMNSA-N 2 1 360.462 -0.773 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C[C@H]2[NH3+])cn1 ZINC000578005923 484153199 /nfs/dbraw/zinc/15/31/99/484153199.db2.gz CSRBTNDVQUCBRB-HDMKZQKVSA-N 2 1 360.462 -0.773 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000578005978 484152872 /nfs/dbraw/zinc/15/28/72/484152872.db2.gz JZICWAICCPKONR-FZKCQIBNSA-N 2 1 360.462 -0.584 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000578005979 484152798 /nfs/dbraw/zinc/15/27/98/484152798.db2.gz JZICWAICCPKONR-JJXSEGSLSA-N 2 1 360.462 -0.584 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000578005980 484152836 /nfs/dbraw/zinc/15/28/36/484152836.db2.gz JZICWAICCPKONR-XUWVNRHRSA-N 2 1 360.462 -0.584 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000578005981 484153392 /nfs/dbraw/zinc/15/33/92/484153392.db2.gz JZICWAICCPKONR-ZJIFWQFVSA-N 2 1 360.462 -0.584 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000578014443 484155042 /nfs/dbraw/zinc/15/50/42/484155042.db2.gz NCHIGVNZIXVHML-APWZRJJASA-N 2 1 364.490 -0.088 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000578014444 484154795 /nfs/dbraw/zinc/15/47/95/484154795.db2.gz NCHIGVNZIXVHML-LPHOPBHVSA-N 2 1 364.490 -0.088 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000578014445 484154830 /nfs/dbraw/zinc/15/48/30/484154830.db2.gz NCHIGVNZIXVHML-QFBILLFUSA-N 2 1 364.490 -0.088 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000578014446 484154657 /nfs/dbraw/zinc/15/46/57/484154657.db2.gz NCHIGVNZIXVHML-VQIMIIECSA-N 2 1 364.490 -0.088 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000578031399 484155995 /nfs/dbraw/zinc/15/59/95/484155995.db2.gz RTFPUNGNVTXVHS-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(=O)n(C)c1=O ZINC000578034009 484158130 /nfs/dbraw/zinc/15/81/30/484158130.db2.gz DSRNGXJCUUHMCQ-UHFFFAOYSA-N 2 1 351.451 -0.834 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000578087663 484190933 /nfs/dbraw/zinc/19/09/33/484190933.db2.gz YQPYRVFLTJPNNA-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000578087663 484190929 /nfs/dbraw/zinc/19/09/29/484190929.db2.gz YQPYRVFLTJPNNA-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000578087663 484190923 /nfs/dbraw/zinc/19/09/23/484190923.db2.gz YQPYRVFLTJPNNA-HNNXBMFYSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000578087664 484191176 /nfs/dbraw/zinc/19/11/76/484191176.db2.gz YQPYRVFLTJPNNA-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000578087664 484191173 /nfs/dbraw/zinc/19/11/73/484191173.db2.gz YQPYRVFLTJPNNA-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000578087664 484191165 /nfs/dbraw/zinc/19/11/65/484191165.db2.gz YQPYRVFLTJPNNA-OAHLLOKOSA-N 2 1 365.522 -0.105 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@H+]1C ZINC000578118336 484194815 /nfs/dbraw/zinc/19/48/15/484194815.db2.gz MDOMDYNXAYQENC-INIZCTEOSA-N 3 1 355.527 -0.263 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000578118336 484194803 /nfs/dbraw/zinc/19/48/03/484194803.db2.gz MDOMDYNXAYQENC-INIZCTEOSA-N 3 1 355.527 -0.263 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@H+]1C ZINC000578118337 484194665 /nfs/dbraw/zinc/19/46/65/484194665.db2.gz MDOMDYNXAYQENC-MRXNPFEDSA-N 3 1 355.527 -0.263 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000578118337 484194658 /nfs/dbraw/zinc/19/46/58/484194658.db2.gz MDOMDYNXAYQENC-MRXNPFEDSA-N 3 1 355.527 -0.263 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000578134850 484195116 /nfs/dbraw/zinc/19/51/16/484195116.db2.gz HOTRKNWDJKRGEP-IYBDPMFKSA-N 2 1 351.495 -0.850 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1=CC[NH2+]CC1 ZINC000578194404 484199800 /nfs/dbraw/zinc/19/98/00/484199800.db2.gz XWLFYGXBNQNILP-INIZCTEOSA-N 2 1 350.463 -0.264 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1=CC[NH2+]CC1 ZINC000578194405 484200308 /nfs/dbraw/zinc/20/03/08/484200308.db2.gz XWLFYGXBNQNILP-MRXNPFEDSA-N 2 1 350.463 -0.264 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227827 484203790 /nfs/dbraw/zinc/20/37/90/484203790.db2.gz LMPXMPZJTVXMLC-BRWVUGGUSA-N 2 1 365.522 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227828 484203039 /nfs/dbraw/zinc/20/30/39/484203039.db2.gz LMPXMPZJTVXMLC-IKGGRYGDSA-N 2 1 365.522 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227829 484203420 /nfs/dbraw/zinc/20/34/20/484203420.db2.gz LMPXMPZJTVXMLC-IXDOHACOSA-N 2 1 365.522 -0.461 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227830 484203382 /nfs/dbraw/zinc/20/33/82/484203382.db2.gz LMPXMPZJTVXMLC-ZACQAIPSSA-N 2 1 365.522 -0.461 20 0 FBADMP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000578237984 484204253 /nfs/dbraw/zinc/20/42/53/484204253.db2.gz FVWIEGLOSBIFBV-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000578237985 484203995 /nfs/dbraw/zinc/20/39/95/484203995.db2.gz FVWIEGLOSBIFBV-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@]([NH3+])(C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000578238167 484203957 /nfs/dbraw/zinc/20/39/57/484203957.db2.gz OCSOWDRLZNHDIJ-INIZCTEOSA-N 2 1 352.460 -0.694 20 0 FBADMP C[C@]([NH3+])(C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000578238168 484203064 /nfs/dbraw/zinc/20/30/64/484203064.db2.gz OCSOWDRLZNHDIJ-MRXNPFEDSA-N 2 1 352.460 -0.694 20 0 FBADMP CNS(=O)(=O)c1ccccc1N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000578240474 484205219 /nfs/dbraw/zinc/20/52/19/484205219.db2.gz UGPLAADARBXFFB-UHFFFAOYSA-N 2 1 367.519 -0.378 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000578331417 484209476 /nfs/dbraw/zinc/20/94/76/484209476.db2.gz TZMICKWGQJAUAV-DZGCQCFKSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000578331418 484209172 /nfs/dbraw/zinc/20/91/72/484209172.db2.gz TZMICKWGQJAUAV-HIFRSBDPSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000578331419 484208739 /nfs/dbraw/zinc/20/87/39/484208739.db2.gz TZMICKWGQJAUAV-UKRRQHHQSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000578331420 484208444 /nfs/dbraw/zinc/20/84/44/484208444.db2.gz TZMICKWGQJAUAV-ZFWWWQNUSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578380645 484211906 /nfs/dbraw/zinc/21/19/06/484211906.db2.gz DZYOEWALCSDYEN-ILXRZTDVSA-N 2 1 365.478 -0.863 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578380650 484211590 /nfs/dbraw/zinc/21/15/90/484211590.db2.gz DZYOEWALCSDYEN-KFWWJZLASA-N 2 1 365.478 -0.863 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578380651 484211474 /nfs/dbraw/zinc/21/14/74/484211474.db2.gz DZYOEWALCSDYEN-QLFBSQMISA-N 2 1 365.478 -0.863 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578380652 484212066 /nfs/dbraw/zinc/21/20/66/484212066.db2.gz DZYOEWALCSDYEN-RBSFLKMASA-N 2 1 365.478 -0.863 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000578393197 484212165 /nfs/dbraw/zinc/21/21/65/484212165.db2.gz VJJPPXSXFXGHHH-UHFFFAOYSA-N 2 1 369.510 -0.543 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000578393197 484212160 /nfs/dbraw/zinc/21/21/60/484212160.db2.gz VJJPPXSXFXGHHH-UHFFFAOYSA-N 2 1 369.510 -0.543 20 0 FBADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411126 484211985 /nfs/dbraw/zinc/21/19/85/484211985.db2.gz JKGDWDLGNUPJOY-KBPBESRZSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411126 484211980 /nfs/dbraw/zinc/21/19/80/484211980.db2.gz JKGDWDLGNUPJOY-KBPBESRZSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411127 484212410 /nfs/dbraw/zinc/21/24/10/484212410.db2.gz JKGDWDLGNUPJOY-KGLIPLIRSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411127 484212405 /nfs/dbraw/zinc/21/24/05/484212405.db2.gz JKGDWDLGNUPJOY-KGLIPLIRSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411128 484211752 /nfs/dbraw/zinc/21/17/52/484211752.db2.gz JKGDWDLGNUPJOY-UONOGXRCSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411128 484211746 /nfs/dbraw/zinc/21/17/46/484211746.db2.gz JKGDWDLGNUPJOY-UONOGXRCSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411129 484211822 /nfs/dbraw/zinc/21/18/22/484211822.db2.gz JKGDWDLGNUPJOY-ZIAGYGMSSA-N 2 1 367.446 -0.423 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC12COC2 ZINC000578411129 484211821 /nfs/dbraw/zinc/21/18/21/484211821.db2.gz JKGDWDLGNUPJOY-ZIAGYGMSSA-N 2 1 367.446 -0.423 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000578482841 484215662 /nfs/dbraw/zinc/21/56/62/484215662.db2.gz JOVSSSUPLYUVDG-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000578482841 484215659 /nfs/dbraw/zinc/21/56/59/484215659.db2.gz JOVSSSUPLYUVDG-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000578482842 484215843 /nfs/dbraw/zinc/21/58/43/484215843.db2.gz JOVSSSUPLYUVDG-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000578482842 484215839 /nfs/dbraw/zinc/21/58/39/484215839.db2.gz JOVSSSUPLYUVDG-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000578492261 484215317 /nfs/dbraw/zinc/21/53/17/484215317.db2.gz DOEVIORHKYCFAD-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000578492261 484215315 /nfs/dbraw/zinc/21/53/15/484215315.db2.gz DOEVIORHKYCFAD-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000578492262 484215241 /nfs/dbraw/zinc/21/52/41/484215241.db2.gz DOEVIORHKYCFAD-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000578492262 484215235 /nfs/dbraw/zinc/21/52/35/484215235.db2.gz DOEVIORHKYCFAD-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000578492263 484215345 /nfs/dbraw/zinc/21/53/45/484215345.db2.gz DOEVIORHKYCFAD-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000578492263 484215342 /nfs/dbraw/zinc/21/53/42/484215342.db2.gz DOEVIORHKYCFAD-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000578492264 484215064 /nfs/dbraw/zinc/21/50/64/484215064.db2.gz DOEVIORHKYCFAD-PMPSAXMXSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000578492264 484215058 /nfs/dbraw/zinc/21/50/58/484215058.db2.gz DOEVIORHKYCFAD-PMPSAXMXSA-N 2 1 352.479 -0.377 20 0 FBADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000578497694 484215086 /nfs/dbraw/zinc/21/50/86/484215086.db2.gz WNOJFTFUUCVSMC-SJORKVTESA-N 2 1 364.490 -0.105 20 0 FBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000578620480 484220585 /nfs/dbraw/zinc/22/05/85/484220585.db2.gz XDOLRWFGCNMECL-UHFFFAOYSA-N 2 1 373.457 -0.580 20 0 FBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000578745039 484226631 /nfs/dbraw/zinc/22/66/31/484226631.db2.gz BQBHBRXYUDSOIQ-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000578759023 484226722 /nfs/dbraw/zinc/22/67/22/484226722.db2.gz LVUOIWOSIFGMJH-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP [NH3+]CCc1ccccc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578759349 484226754 /nfs/dbraw/zinc/22/67/54/484226754.db2.gz HHXCTBIOFSIDLE-UHFFFAOYSA-N 2 1 352.460 -0.753 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCO1 ZINC000578791982 484227513 /nfs/dbraw/zinc/22/75/13/484227513.db2.gz CBSSXIZFGMWVEX-HNNXBMFYSA-N 2 1 372.535 -0.232 20 0 FBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCO1 ZINC000578791982 484227509 /nfs/dbraw/zinc/22/75/09/484227509.db2.gz CBSSXIZFGMWVEX-HNNXBMFYSA-N 2 1 372.535 -0.232 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCO1 ZINC000578791983 484227777 /nfs/dbraw/zinc/22/77/77/484227777.db2.gz CBSSXIZFGMWVEX-OAHLLOKOSA-N 2 1 372.535 -0.232 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCO1 ZINC000578791983 484227775 /nfs/dbraw/zinc/22/77/75/484227775.db2.gz CBSSXIZFGMWVEX-OAHLLOKOSA-N 2 1 372.535 -0.232 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@H](C)CN1 ZINC000578851183 484231631 /nfs/dbraw/zinc/23/16/31/484231631.db2.gz VIWSPKWFOTXRHI-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@H](C)CN1 ZINC000578851186 484231256 /nfs/dbraw/zinc/23/12/56/484231256.db2.gz VIWSPKWFOTXRHI-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@@H](C)CN1 ZINC000578851187 484231420 /nfs/dbraw/zinc/23/14/20/484231420.db2.gz VIWSPKWFOTXRHI-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@@H](C)CN1 ZINC000578851188 484230599 /nfs/dbraw/zinc/23/05/99/484230599.db2.gz VIWSPKWFOTXRHI-QXSJWSMHSA-N 2 1 352.479 -0.045 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578864002 484231216 /nfs/dbraw/zinc/23/12/16/484231216.db2.gz HZPBVSHZEWPNJT-CVEARBPZSA-N 2 1 369.510 -0.146 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578864003 484231657 /nfs/dbraw/zinc/23/16/57/484231657.db2.gz HZPBVSHZEWPNJT-HOTGVXAUSA-N 2 1 369.510 -0.146 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578864004 484231541 /nfs/dbraw/zinc/23/15/41/484231541.db2.gz HZPBVSHZEWPNJT-HZPDHXFCSA-N 2 1 369.510 -0.146 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578864005 484231278 /nfs/dbraw/zinc/23/12/78/484231278.db2.gz HZPBVSHZEWPNJT-JKSUJKDBSA-N 2 1 369.510 -0.146 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000578864857 484230831 /nfs/dbraw/zinc/23/08/31/484230831.db2.gz WLODPJJRPQXKEM-CVEARBPZSA-N 2 1 374.489 -0.424 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000578864858 484231032 /nfs/dbraw/zinc/23/10/32/484231032.db2.gz WLODPJJRPQXKEM-HOTGVXAUSA-N 2 1 374.489 -0.424 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000578864859 484230931 /nfs/dbraw/zinc/23/09/31/484230931.db2.gz WLODPJJRPQXKEM-HZPDHXFCSA-N 2 1 374.489 -0.424 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000578864860 484231338 /nfs/dbraw/zinc/23/13/38/484231338.db2.gz WLODPJJRPQXKEM-JKSUJKDBSA-N 2 1 374.489 -0.424 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000578900359 484234093 /nfs/dbraw/zinc/23/40/93/484234093.db2.gz FZHWSWQQJQQLIJ-UHFFFAOYSA-N 2 1 367.494 -0.804 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000578973956 484237634 /nfs/dbraw/zinc/23/76/34/484237634.db2.gz XLDQSFITHSQQIW-UHFFFAOYSA-N 2 1 356.467 -0.996 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000578973956 484237627 /nfs/dbraw/zinc/23/76/27/484237627.db2.gz XLDQSFITHSQQIW-UHFFFAOYSA-N 2 1 356.467 -0.996 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000578984655 484237450 /nfs/dbraw/zinc/23/74/50/484237450.db2.gz JXARCCCTVNGNCY-HOTGVXAUSA-N 2 1 370.494 -0.845 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000578984656 484236962 /nfs/dbraw/zinc/23/69/62/484236962.db2.gz JXARCCCTVNGNCY-HZPDHXFCSA-N 2 1 370.494 -0.845 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000579007612 484239017 /nfs/dbraw/zinc/23/90/17/484239017.db2.gz WVUKHUROJUVBGL-UHFFFAOYSA-N 2 1 369.510 -0.002 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007929 484238398 /nfs/dbraw/zinc/23/83/98/484238398.db2.gz HXQSNXSSJICFSE-GDBMZVCRSA-N 2 1 352.479 -0.247 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007932 484239233 /nfs/dbraw/zinc/23/92/33/484239233.db2.gz HXQSNXSSJICFSE-GOEBONIOSA-N 2 1 352.479 -0.247 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007933 484238743 /nfs/dbraw/zinc/23/87/43/484238743.db2.gz HXQSNXSSJICFSE-HOCLYGCPSA-N 2 1 352.479 -0.247 20 0 FBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007935 484238535 /nfs/dbraw/zinc/23/85/35/484238535.db2.gz HXQSNXSSJICFSE-ZBFHGGJFSA-N 2 1 352.479 -0.247 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000579037905 484240977 /nfs/dbraw/zinc/24/09/77/484240977.db2.gz BOFYZNVQUVSCAY-GDBMZVCRSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000579037905 484240972 /nfs/dbraw/zinc/24/09/72/484240972.db2.gz BOFYZNVQUVSCAY-GDBMZVCRSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579037905 484240967 /nfs/dbraw/zinc/24/09/67/484240967.db2.gz BOFYZNVQUVSCAY-GDBMZVCRSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000579037907 484240698 /nfs/dbraw/zinc/24/06/98/484240698.db2.gz BOFYZNVQUVSCAY-GOEBONIOSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000579037907 484240691 /nfs/dbraw/zinc/24/06/91/484240691.db2.gz BOFYZNVQUVSCAY-GOEBONIOSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000579037907 484240684 /nfs/dbraw/zinc/24/06/84/484240684.db2.gz BOFYZNVQUVSCAY-GOEBONIOSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000579037908 484240148 /nfs/dbraw/zinc/24/01/48/484240148.db2.gz BOFYZNVQUVSCAY-HOCLYGCPSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000579037908 484240140 /nfs/dbraw/zinc/24/01/40/484240140.db2.gz BOFYZNVQUVSCAY-HOCLYGCPSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000579037908 484240134 /nfs/dbraw/zinc/24/01/34/484240134.db2.gz BOFYZNVQUVSCAY-HOCLYGCPSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000579037909 484240914 /nfs/dbraw/zinc/24/09/14/484240914.db2.gz BOFYZNVQUVSCAY-ZBFHGGJFSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000579037909 484240907 /nfs/dbraw/zinc/24/09/07/484240907.db2.gz BOFYZNVQUVSCAY-ZBFHGGJFSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579037909 484240899 /nfs/dbraw/zinc/24/08/99/484240899.db2.gz BOFYZNVQUVSCAY-ZBFHGGJFSA-N 2 1 351.495 -0.519 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)c(=O)n2C ZINC000579115978 484243113 /nfs/dbraw/zinc/24/31/13/484243113.db2.gz ZJXCOQMOMBDENP-OKILXGFUSA-N 2 1 360.462 -0.245 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1C ZINC000579133139 484246167 /nfs/dbraw/zinc/24/61/67/484246167.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 2 1 355.527 -0.074 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1C ZINC000579133139 484246154 /nfs/dbraw/zinc/24/61/54/484246154.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 2 1 355.527 -0.074 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000579133139 484246144 /nfs/dbraw/zinc/24/61/44/484246144.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 2 1 355.527 -0.074 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1C ZINC000579133142 484246275 /nfs/dbraw/zinc/24/62/75/484246275.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 2 1 355.527 -0.074 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1C ZINC000579133142 484246269 /nfs/dbraw/zinc/24/62/69/484246269.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 2 1 355.527 -0.074 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000579133142 484246261 /nfs/dbraw/zinc/24/62/61/484246261.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 2 1 355.527 -0.074 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138083 484246041 /nfs/dbraw/zinc/24/60/41/484246041.db2.gz NSXDWAYWZNHNHL-INIZCTEOSA-N 2 1 355.527 -0.214 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138252 484244834 /nfs/dbraw/zinc/24/48/34/484244834.db2.gz NSXDWAYWZNHNHL-MRXNPFEDSA-N 2 1 355.527 -0.214 20 0 FBADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000579144356 484245254 /nfs/dbraw/zinc/24/52/54/484245254.db2.gz WFTWNRRYHLTMAE-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000579144357 484244891 /nfs/dbraw/zinc/24/48/91/484244891.db2.gz WFTWNRRYHLTMAE-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000579233072 484249945 /nfs/dbraw/zinc/24/99/45/484249945.db2.gz VAYXQDSBBYHVHU-AWEZNQCLSA-N 2 1 364.450 -0.615 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000579233073 484249501 /nfs/dbraw/zinc/24/95/01/484249501.db2.gz VAYXQDSBBYHVHU-CQSZACIVSA-N 2 1 364.450 -0.615 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579233411 484248778 /nfs/dbraw/zinc/24/87/78/484248778.db2.gz IZADUSVHOFTWJY-DOTOQJQBSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579233412 484248789 /nfs/dbraw/zinc/24/87/89/484248789.db2.gz IZADUSVHOFTWJY-NVXWUHKLSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579233413 484249599 /nfs/dbraw/zinc/24/95/99/484249599.db2.gz IZADUSVHOFTWJY-RDJZCZTQSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579233414 484249715 /nfs/dbraw/zinc/24/97/15/484249715.db2.gz IZADUSVHOFTWJY-WBVHZDCISA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000579255413 484250388 /nfs/dbraw/zinc/25/03/88/484250388.db2.gz FJRWUKJTNLVHGT-AWEZNQCLSA-N 2 1 350.467 -0.238 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000579255414 484250508 /nfs/dbraw/zinc/25/05/08/484250508.db2.gz FJRWUKJTNLVHGT-CQSZACIVSA-N 2 1 350.467 -0.238 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000579261030 484250479 /nfs/dbraw/zinc/25/04/79/484250479.db2.gz WLCHDGHHQCBQPV-UHFFFAOYSA-N 2 1 353.511 -0.316 20 0 FBADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)CC2 ZINC000579262990 484250534 /nfs/dbraw/zinc/25/05/34/484250534.db2.gz ARXVUZRVJMGXAV-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)CC2 ZINC000579262990 484250531 /nfs/dbraw/zinc/25/05/31/484250531.db2.gz ARXVUZRVJMGXAV-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000579262990 484250524 /nfs/dbraw/zinc/25/05/24/484250524.db2.gz ARXVUZRVJMGXAV-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)COC2C[NH2+]C2)cc[nH+]1 ZINC000579350978 484255410 /nfs/dbraw/zinc/25/54/10/484255410.db2.gz CRJUCRDWWSTDSB-STQMWFEESA-N 2 1 366.441 -0.094 20 0 FBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000579354812 484255459 /nfs/dbraw/zinc/25/54/59/484255459.db2.gz MQFGIMBEXRNHMM-AWEZNQCLSA-N 2 1 358.450 -0.543 20 0 FBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000579354813 484255600 /nfs/dbraw/zinc/25/56/00/484255600.db2.gz MQFGIMBEXRNHMM-CQSZACIVSA-N 2 1 358.450 -0.543 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000579383443 484257332 /nfs/dbraw/zinc/25/73/32/484257332.db2.gz URJDWWDRXHMOLV-UHFFFAOYSA-N 2 1 355.483 -0.839 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000579383443 484257325 /nfs/dbraw/zinc/25/73/25/484257325.db2.gz URJDWWDRXHMOLV-UHFFFAOYSA-N 2 1 355.483 -0.839 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)c1 ZINC000579395193 484257926 /nfs/dbraw/zinc/25/79/26/484257926.db2.gz RODBRQWJQQOZPL-UHFFFAOYSA-N 2 1 363.462 -0.267 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579452750 484259584 /nfs/dbraw/zinc/25/95/84/484259584.db2.gz VEZGZWKHBHKKQJ-CVEARBPZSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579452750 484259579 /nfs/dbraw/zinc/25/95/79/484259579.db2.gz VEZGZWKHBHKKQJ-CVEARBPZSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579452751 484260021 /nfs/dbraw/zinc/26/00/21/484260021.db2.gz VEZGZWKHBHKKQJ-HOTGVXAUSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579452751 484260011 /nfs/dbraw/zinc/26/00/11/484260011.db2.gz VEZGZWKHBHKKQJ-HOTGVXAUSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579452752 484260075 /nfs/dbraw/zinc/26/00/75/484260075.db2.gz VEZGZWKHBHKKQJ-HZPDHXFCSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579452752 484260067 /nfs/dbraw/zinc/26/00/67/484260067.db2.gz VEZGZWKHBHKKQJ-HZPDHXFCSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579452753 484259364 /nfs/dbraw/zinc/25/93/64/484259364.db2.gz VEZGZWKHBHKKQJ-JKSUJKDBSA-N 2 1 367.494 -0.297 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579452753 484259359 /nfs/dbraw/zinc/25/93/59/484259359.db2.gz VEZGZWKHBHKKQJ-JKSUJKDBSA-N 2 1 367.494 -0.297 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000579453923 484259684 /nfs/dbraw/zinc/25/96/84/484259684.db2.gz AULWJSWYXPVLOV-MSOLQXFVSA-N 2 1 373.501 -0.274 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000579453924 484259965 /nfs/dbraw/zinc/25/99/65/484259965.db2.gz AULWJSWYXPVLOV-QZTJIDSGSA-N 2 1 373.501 -0.274 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000579453925 484260138 /nfs/dbraw/zinc/26/01/38/484260138.db2.gz AULWJSWYXPVLOV-ROUUACIJSA-N 2 1 373.501 -0.274 20 0 FBADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000579453926 484260573 /nfs/dbraw/zinc/26/05/73/484260573.db2.gz AULWJSWYXPVLOV-ZWKOTPCHSA-N 2 1 373.501 -0.274 20 0 FBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000579475015 484262696 /nfs/dbraw/zinc/26/26/96/484262696.db2.gz ADHOANQUNWHPSJ-XDQVBPFNSA-N 2 1 366.441 -0.359 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000579502567 484264151 /nfs/dbraw/zinc/26/41/51/484264151.db2.gz ZCBFIEZFHFARHI-UHFFFAOYSA-N 2 1 367.538 -0.022 20 0 FBADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cn1 ZINC000579582476 484267539 /nfs/dbraw/zinc/26/75/39/484267539.db2.gz BWXGETCCWXOXQT-HNNXBMFYSA-N 2 1 371.507 -0.382 20 0 FBADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cn1 ZINC000579582476 484267533 /nfs/dbraw/zinc/26/75/33/484267533.db2.gz BWXGETCCWXOXQT-HNNXBMFYSA-N 2 1 371.507 -0.382 20 0 FBADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cn1 ZINC000579582477 484266635 /nfs/dbraw/zinc/26/66/35/484266635.db2.gz BWXGETCCWXOXQT-OAHLLOKOSA-N 2 1 371.507 -0.382 20 0 FBADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CC2)cn1 ZINC000579582477 484266626 /nfs/dbraw/zinc/26/66/26/484266626.db2.gz BWXGETCCWXOXQT-OAHLLOKOSA-N 2 1 371.507 -0.382 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000579622597 484268168 /nfs/dbraw/zinc/26/81/68/484268168.db2.gz WHAQLLIADNBNPI-UHFFFAOYSA-N 2 1 367.494 -0.839 20 0 FBADMP c1ccc(-n2nnnc2CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000579717919 484272963 /nfs/dbraw/zinc/27/29/63/484272963.db2.gz LUNQWQDOFAYHBE-UHFFFAOYSA-N 2 1 356.478 -0.315 20 0 FBADMP C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732131 484275164 /nfs/dbraw/zinc/27/51/64/484275164.db2.gz QDVFFKKZQQPTNC-BEFAXECRSA-N 2 1 362.474 -0.194 20 0 FBADMP C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732134 484274946 /nfs/dbraw/zinc/27/49/46/484274946.db2.gz QDVFFKKZQQPTNC-DNVCBOLYSA-N 2 1 362.474 -0.194 20 0 FBADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732136 484274469 /nfs/dbraw/zinc/27/44/69/484274469.db2.gz QDVFFKKZQQPTNC-HNAYVOBHSA-N 2 1 362.474 -0.194 20 0 FBADMP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732138 484274920 /nfs/dbraw/zinc/27/49/20/484274920.db2.gz QDVFFKKZQQPTNC-KXBFYZLASA-N 2 1 362.474 -0.194 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000579740944 484274995 /nfs/dbraw/zinc/27/49/95/484274995.db2.gz XYXRSPDZKQEIEI-AWEZNQCLSA-N 2 1 369.510 -0.641 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000579740948 484275268 /nfs/dbraw/zinc/27/52/68/484275268.db2.gz XYXRSPDZKQEIEI-CQSZACIVSA-N 2 1 369.510 -0.641 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000579750456 484274683 /nfs/dbraw/zinc/27/46/83/484274683.db2.gz FKRZDFFIGPUCPC-UHFFFAOYSA-N 2 1 355.483 -0.885 20 0 FBADMP CCC[N@H+](CC)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000579750456 484274676 /nfs/dbraw/zinc/27/46/76/484274676.db2.gz FKRZDFFIGPUCPC-UHFFFAOYSA-N 2 1 355.483 -0.885 20 0 FBADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000579816029 484278132 /nfs/dbraw/zinc/27/81/32/484278132.db2.gz REKSYLDSOGJSQK-AWEZNQCLSA-N 2 1 373.523 -0.653 20 0 FBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000579816029 484278127 /nfs/dbraw/zinc/27/81/27/484278127.db2.gz REKSYLDSOGJSQK-AWEZNQCLSA-N 2 1 373.523 -0.653 20 0 FBADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000579816034 484277261 /nfs/dbraw/zinc/27/72/61/484277261.db2.gz REKSYLDSOGJSQK-CQSZACIVSA-N 2 1 373.523 -0.653 20 0 FBADMP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000579816034 484277255 /nfs/dbraw/zinc/27/72/55/484277255.db2.gz REKSYLDSOGJSQK-CQSZACIVSA-N 2 1 373.523 -0.653 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]21 ZINC000579822692 484277645 /nfs/dbraw/zinc/27/76/45/484277645.db2.gz INJQKIFMJZFWGX-QBPKDAKJSA-N 2 1 364.490 -0.247 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000579822693 484277406 /nfs/dbraw/zinc/27/74/06/484277406.db2.gz INJQKIFMJZFWGX-VVLHAWIVSA-N 2 1 364.490 -0.247 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000579822694 484278346 /nfs/dbraw/zinc/27/83/46/484278346.db2.gz INJQKIFMJZFWGX-WCXIOVBPSA-N 2 1 364.490 -0.247 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]21 ZINC000579822695 484277586 /nfs/dbraw/zinc/27/75/86/484277586.db2.gz INJQKIFMJZFWGX-YLFCFFPRSA-N 2 1 364.490 -0.247 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000579845117 484278822 /nfs/dbraw/zinc/27/88/22/484278822.db2.gz FBPHDSSKQOSECM-INIZCTEOSA-N 2 1 352.479 -0.246 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000579845118 484279851 /nfs/dbraw/zinc/27/98/51/484279851.db2.gz FBPHDSSKQOSECM-MRXNPFEDSA-N 2 1 352.479 -0.246 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943222 484284580 /nfs/dbraw/zinc/28/45/80/484284580.db2.gz GHMFVKOUWIFCLF-LLLHUVSDSA-N 2 1 374.489 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943223 484284093 /nfs/dbraw/zinc/28/40/93/484284093.db2.gz GHMFVKOUWIFCLF-QMCVQRASSA-N 2 1 374.489 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943225 484284027 /nfs/dbraw/zinc/28/40/27/484284027.db2.gz GHMFVKOUWIFCLF-XLNGHYISSA-N 2 1 374.489 -0.384 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000580086104 484297329 /nfs/dbraw/zinc/29/73/29/484297329.db2.gz IKLYCPALPRSIAJ-UHFFFAOYSA-N 2 1 351.451 -0.075 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224465 484389307 /nfs/dbraw/zinc/38/93/07/484389307.db2.gz NSFWPNXPCFDAJA-BFYDXBDKSA-N 2 1 365.522 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224466 484389791 /nfs/dbraw/zinc/38/97/91/484389791.db2.gz NSFWPNXPCFDAJA-HLLBOEOZSA-N 2 1 365.522 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224467 484389433 /nfs/dbraw/zinc/38/94/33/484389433.db2.gz NSFWPNXPCFDAJA-INMHGKMJSA-N 2 1 365.522 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224468 484389826 /nfs/dbraw/zinc/38/98/26/484389826.db2.gz NSFWPNXPCFDAJA-VYDXJSESSA-N 2 1 365.522 -0.415 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000580294788 484413724 /nfs/dbraw/zinc/41/37/24/484413724.db2.gz QAEVYHIYLKFEHV-KRWDZBQOSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000580294789 484413983 /nfs/dbraw/zinc/41/39/83/484413983.db2.gz QAEVYHIYLKFEHV-QGZVFWFLSA-N 2 1 365.522 -0.269 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580301591 484420255 /nfs/dbraw/zinc/42/02/55/484420255.db2.gz HYKHIDMYXPZBTB-GASCZTMLSA-N 2 1 367.494 -0.981 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000580302407 484419594 /nfs/dbraw/zinc/41/95/94/484419594.db2.gz MCVFMMWARYVXMT-FZKCQIBNSA-N 2 1 368.478 -0.727 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000580302407 484419589 /nfs/dbraw/zinc/41/95/89/484419589.db2.gz MCVFMMWARYVXMT-FZKCQIBNSA-N 2 1 368.478 -0.727 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000580302408 484419499 /nfs/dbraw/zinc/41/94/99/484419499.db2.gz MCVFMMWARYVXMT-LVQVYYBASA-N 2 1 368.478 -0.727 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000580302409 484419407 /nfs/dbraw/zinc/41/94/07/484419407.db2.gz MCVFMMWARYVXMT-WCVJEAGWSA-N 2 1 368.478 -0.727 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000580302410 484420242 /nfs/dbraw/zinc/42/02/42/484420242.db2.gz MCVFMMWARYVXMT-XUWVNRHRSA-N 2 1 368.478 -0.727 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000580302410 484420237 /nfs/dbraw/zinc/42/02/37/484420237.db2.gz MCVFMMWARYVXMT-XUWVNRHRSA-N 2 1 368.478 -0.727 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000580420613 484999279 /nfs/dbraw/zinc/99/92/79/484999279.db2.gz BLRKVVADOCORHX-UHFFFAOYSA-N 2 1 356.515 -0.667 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534083 484021306 /nfs/dbraw/zinc/02/13/06/484021306.db2.gz RBOPHXYFCVPXAE-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534084 484020095 /nfs/dbraw/zinc/02/00/95/484020095.db2.gz RBOPHXYFCVPXAE-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534085 484019834 /nfs/dbraw/zinc/01/98/34/484019834.db2.gz RBOPHXYFCVPXAE-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534086 484020049 /nfs/dbraw/zinc/02/00/49/484020049.db2.gz RBOPHXYFCVPXAE-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580539078 484047968 /nfs/dbraw/zinc/04/79/68/484047968.db2.gz FMBZRVKYMQCLHU-KBPBESRZSA-N 2 1 355.483 -0.395 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580539079 484047216 /nfs/dbraw/zinc/04/72/16/484047216.db2.gz FMBZRVKYMQCLHU-OKILXGFUSA-N 2 1 355.483 -0.395 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580539079 484047207 /nfs/dbraw/zinc/04/72/07/484047207.db2.gz FMBZRVKYMQCLHU-OKILXGFUSA-N 2 1 355.483 -0.395 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000580539080 484047181 /nfs/dbraw/zinc/04/71/81/484047181.db2.gz FMBZRVKYMQCLHU-ZIAGYGMSSA-N 2 1 355.483 -0.395 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580551015 484090953 /nfs/dbraw/zinc/09/09/53/484090953.db2.gz RBDRWNWSAXIWIP-CVEARBPZSA-N 2 1 351.495 -0.722 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580551016 484091808 /nfs/dbraw/zinc/09/18/08/484091808.db2.gz RBDRWNWSAXIWIP-HOTGVXAUSA-N 2 1 351.495 -0.722 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000580551017 484091368 /nfs/dbraw/zinc/09/13/68/484091368.db2.gz RBDRWNWSAXIWIP-HZPDHXFCSA-N 2 1 351.495 -0.722 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000580551018 484090894 /nfs/dbraw/zinc/09/08/94/484090894.db2.gz RBDRWNWSAXIWIP-JKSUJKDBSA-N 2 1 351.495 -0.722 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000580569702 484092616 /nfs/dbraw/zinc/09/26/16/484092616.db2.gz BOWNUJQDEIPNAC-AWEZNQCLSA-N 2 1 351.451 -0.163 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000580569703 484092920 /nfs/dbraw/zinc/09/29/20/484092920.db2.gz BOWNUJQDEIPNAC-CQSZACIVSA-N 2 1 351.451 -0.163 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580588869 484097337 /nfs/dbraw/zinc/09/73/37/484097337.db2.gz WJBXVBSVAHHVFJ-CABCVRRESA-N 2 1 369.510 -0.498 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580588872 484096605 /nfs/dbraw/zinc/09/66/05/484096605.db2.gz WJBXVBSVAHHVFJ-GJZGRUSLSA-N 2 1 369.510 -0.498 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580588875 484096373 /nfs/dbraw/zinc/09/63/73/484096373.db2.gz WJBXVBSVAHHVFJ-HUUCEWRRSA-N 2 1 369.510 -0.498 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580588876 484097162 /nfs/dbraw/zinc/09/71/62/484097162.db2.gz WJBXVBSVAHHVFJ-LSDHHAIUSA-N 2 1 369.510 -0.498 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccsc1 ZINC000580634204 484102161 /nfs/dbraw/zinc/10/21/61/484102161.db2.gz FBAPFDUWKIUCDP-CYBMUJFWSA-N 2 1 367.475 -0.985 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccsc1 ZINC000580634219 484101774 /nfs/dbraw/zinc/10/17/74/484101774.db2.gz FBAPFDUWKIUCDP-ZDUSSCGKSA-N 2 1 367.475 -0.985 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580639760 484102969 /nfs/dbraw/zinc/10/29/69/484102969.db2.gz SVIFYXXJTNKYPR-IKGGRYGDSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580639768 484103437 /nfs/dbraw/zinc/10/34/37/484103437.db2.gz SVIFYXXJTNKYPR-ZACQAIPSSA-N 2 1 363.506 -0.422 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1CC[NH2+]CC1 ZINC000580646154 484103636 /nfs/dbraw/zinc/10/36/36/484103636.db2.gz CVOIQPITIDQEAR-INIZCTEOSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1CC[NH2+]CC1 ZINC000580646155 484103129 /nfs/dbraw/zinc/10/31/29/484103129.db2.gz CVOIQPITIDQEAR-MRXNPFEDSA-N 2 1 352.479 -0.185 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646950 484103373 /nfs/dbraw/zinc/10/33/73/484103373.db2.gz RQAVNNIOFITBPC-CABCVRRESA-N 2 1 360.524 -0.104 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646951 484103650 /nfs/dbraw/zinc/10/36/50/484103650.db2.gz RQAVNNIOFITBPC-GJZGRUSLSA-N 2 1 360.524 -0.104 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646952 484102848 /nfs/dbraw/zinc/10/28/48/484102848.db2.gz RQAVNNIOFITBPC-HUUCEWRRSA-N 2 1 360.524 -0.104 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646953 484103359 /nfs/dbraw/zinc/10/33/59/484103359.db2.gz RQAVNNIOFITBPC-LSDHHAIUSA-N 2 1 360.524 -0.104 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580647314 484103286 /nfs/dbraw/zinc/10/32/86/484103286.db2.gz QFEOIIZDAOSSLB-DOTOQJQBSA-N 2 1 359.474 -0.567 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580647323 484103254 /nfs/dbraw/zinc/10/32/54/484103254.db2.gz QFEOIIZDAOSSLB-NVXWUHKLSA-N 2 1 359.474 -0.567 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580647324 484103546 /nfs/dbraw/zinc/10/35/46/484103546.db2.gz QFEOIIZDAOSSLB-RDJZCZTQSA-N 2 1 359.474 -0.567 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580647454 484103166 /nfs/dbraw/zinc/10/31/66/484103166.db2.gz QFEOIIZDAOSSLB-WBVHZDCISA-N 2 1 359.474 -0.567 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1)CC[NH2+]CC2 ZINC000580710114 484299019 /nfs/dbraw/zinc/29/90/19/484299019.db2.gz VAMWKRVNWWIZPU-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1)CC[NH2+]CC2 ZINC000580710115 484298455 /nfs/dbraw/zinc/29/84/55/484298455.db2.gz VAMWKRVNWWIZPU-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000580827988 484295759 /nfs/dbraw/zinc/29/57/59/484295759.db2.gz OCAURRBHKGXXEG-BARDWOONSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000580827988 484295754 /nfs/dbraw/zinc/29/57/54/484295754.db2.gz OCAURRBHKGXXEG-BARDWOONSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000580827989 484294901 /nfs/dbraw/zinc/29/49/01/484294901.db2.gz OCAURRBHKGXXEG-CBBWQLFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000580827989 484294897 /nfs/dbraw/zinc/29/48/97/484294897.db2.gz OCAURRBHKGXXEG-CBBWQLFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000580827990 484295341 /nfs/dbraw/zinc/29/53/41/484295341.db2.gz OCAURRBHKGXXEG-LXTVHRRPSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000580827990 484295333 /nfs/dbraw/zinc/29/53/33/484295333.db2.gz OCAURRBHKGXXEG-LXTVHRRPSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000580827991 484295932 /nfs/dbraw/zinc/29/59/32/484295932.db2.gz OCAURRBHKGXXEG-QPSCCSFWSA-N 2 1 352.479 -0.514 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000580827991 484295931 /nfs/dbraw/zinc/29/59/31/484295931.db2.gz OCAURRBHKGXXEG-QPSCCSFWSA-N 2 1 352.479 -0.514 20 0 FBADMP O=C1NCC[C@]12CCC[N@@H+]2CCOCC[NH+]1CCC[C@@]12CCNC2=O ZINC000580840915 484296561 /nfs/dbraw/zinc/29/65/61/484296561.db2.gz AJPWGNIJSKMTDS-HDICACEKSA-N 2 1 350.463 -0.288 20 0 FBADMP O=C1NCC[C@]12CCC[N@H+]2CCOCC[NH+]1CCC[C@@]12CCNC2=O ZINC000580840915 484296552 /nfs/dbraw/zinc/29/65/52/484296552.db2.gz AJPWGNIJSKMTDS-HDICACEKSA-N 2 1 350.463 -0.288 20 0 FBADMP O=C1NCC[C@]12CCC[NH+]2CCOCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000580840915 484296544 /nfs/dbraw/zinc/29/65/44/484296544.db2.gz AJPWGNIJSKMTDS-HDICACEKSA-N 2 1 350.463 -0.288 20 0 FBADMP O=C1NCC[C@]12CCC[NH+]2CCOCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000580840917 484296324 /nfs/dbraw/zinc/29/63/24/484296324.db2.gz AJPWGNIJSKMTDS-QZTJIDSGSA-N 2 1 350.463 -0.288 20 0 FBADMP O=C1NCC[C@@]12CCC[NH+]2CCOCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000580840919 484296763 /nfs/dbraw/zinc/29/67/63/484296763.db2.gz AJPWGNIJSKMTDS-ROUUACIJSA-N 2 1 350.463 -0.288 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CC(N)=O)CC3)CC2)CC1 ZINC000580842159 484297075 /nfs/dbraw/zinc/29/70/75/484297075.db2.gz XTBIWDYEQUUSBN-UHFFFAOYSA-N 2 1 365.522 -0.188 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000580847516 484297299 /nfs/dbraw/zinc/29/72/99/484297299.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000580847516 484297291 /nfs/dbraw/zinc/29/72/91/484297291.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000580847516 484297284 /nfs/dbraw/zinc/29/72/84/484297284.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000580847517 484296908 /nfs/dbraw/zinc/29/69/08/484296908.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000580847517 484296905 /nfs/dbraw/zinc/29/69/05/484296905.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000580847517 484296900 /nfs/dbraw/zinc/29/69/00/484296900.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 2 1 367.538 -0.023 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000580851567 484297774 /nfs/dbraw/zinc/29/77/74/484297774.db2.gz FOYYLMNMYZJFKU-HNNXBMFYSA-N 2 1 365.478 -0.468 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000580851568 484296504 /nfs/dbraw/zinc/29/65/04/484296504.db2.gz FOYYLMNMYZJFKU-OAHLLOKOSA-N 2 1 365.478 -0.468 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000580947490 484302716 /nfs/dbraw/zinc/30/27/16/484302716.db2.gz UPJZGRDLJMXJTD-DLBZAZTESA-N 2 1 363.510 -0.118 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000580955513 484302659 /nfs/dbraw/zinc/30/26/59/484302659.db2.gz FSHTWQVPDTWMAY-UHFFFAOYSA-N 2 1 366.466 -0.671 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@H](C)O ZINC000581005688 484304734 /nfs/dbraw/zinc/30/47/34/484304734.db2.gz AKUZOLPLFRVFAL-FCEWJHQRSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000581005688 484304731 /nfs/dbraw/zinc/30/47/31/484304731.db2.gz AKUZOLPLFRVFAL-FCEWJHQRSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@H](C)O ZINC000581005689 484304656 /nfs/dbraw/zinc/30/46/56/484304656.db2.gz AKUZOLPLFRVFAL-FRQCXROJSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000581005689 484304652 /nfs/dbraw/zinc/30/46/52/484304652.db2.gz AKUZOLPLFRVFAL-FRQCXROJSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000581005690 484304681 /nfs/dbraw/zinc/30/46/81/484304681.db2.gz AKUZOLPLFRVFAL-GPMSIDNRSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000581005690 484304676 /nfs/dbraw/zinc/30/46/76/484304676.db2.gz AKUZOLPLFRVFAL-GPMSIDNRSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000581005691 484303456 /nfs/dbraw/zinc/30/34/56/484303456.db2.gz AKUZOLPLFRVFAL-MDZRGWNJSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000581005691 484303453 /nfs/dbraw/zinc/30/34/53/484303453.db2.gz AKUZOLPLFRVFAL-MDZRGWNJSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)C[C@H](O)C[NH3+] ZINC000581013852 484305595 /nfs/dbraw/zinc/30/55/95/484305595.db2.gz FDABCONJKPKKAO-CRAIPNDOSA-N 2 1 364.490 -0.225 20 0 FBADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)C[C@H](O)C[NH3+] ZINC000581013853 484305268 /nfs/dbraw/zinc/30/52/68/484305268.db2.gz FDABCONJKPKKAO-MAUKXSAKSA-N 2 1 364.490 -0.225 20 0 FBADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)C[C@@H](O)C[NH3+] ZINC000581013854 484305670 /nfs/dbraw/zinc/30/56/70/484305670.db2.gz FDABCONJKPKKAO-QAPCUYQASA-N 2 1 364.490 -0.225 20 0 FBADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)C[C@@H](O)C[NH3+] ZINC000581013855 484305906 /nfs/dbraw/zinc/30/59/06/484305906.db2.gz FDABCONJKPKKAO-YJBOKZPZSA-N 2 1 364.490 -0.225 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000581085881 484309303 /nfs/dbraw/zinc/30/93/03/484309303.db2.gz NNYLMHOYXKWDBI-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126007 483494458 /nfs/dbraw/zinc/49/44/58/483494458.db2.gz WQJHRTYTRXCWBO-BRWVUGGUSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126010 483495218 /nfs/dbraw/zinc/49/52/18/483495218.db2.gz WQJHRTYTRXCWBO-IKGGRYGDSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126012 483494553 /nfs/dbraw/zinc/49/45/53/483494553.db2.gz WQJHRTYTRXCWBO-IXDOHACOSA-N 2 1 363.506 -0.422 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126014 483494409 /nfs/dbraw/zinc/49/44/09/483494409.db2.gz WQJHRTYTRXCWBO-ZACQAIPSSA-N 2 1 363.506 -0.422 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177096 484314227 /nfs/dbraw/zinc/31/42/27/484314227.db2.gz RDAQLOGKRAXPQJ-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177096 484314224 /nfs/dbraw/zinc/31/42/24/484314224.db2.gz RDAQLOGKRAXPQJ-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581177096 484314218 /nfs/dbraw/zinc/31/42/18/484314218.db2.gz RDAQLOGKRAXPQJ-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581177096 484314210 /nfs/dbraw/zinc/31/42/10/484314210.db2.gz RDAQLOGKRAXPQJ-BEFAXECRSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177097 484313125 /nfs/dbraw/zinc/31/31/25/484313125.db2.gz RDAQLOGKRAXPQJ-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177097 484313121 /nfs/dbraw/zinc/31/31/21/484313121.db2.gz RDAQLOGKRAXPQJ-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581177097 484313116 /nfs/dbraw/zinc/31/31/16/484313116.db2.gz RDAQLOGKRAXPQJ-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581177097 484313114 /nfs/dbraw/zinc/31/31/14/484313114.db2.gz RDAQLOGKRAXPQJ-DNVCBOLYSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177098 484313254 /nfs/dbraw/zinc/31/32/54/484313254.db2.gz RDAQLOGKRAXPQJ-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177098 484313251 /nfs/dbraw/zinc/31/32/51/484313251.db2.gz RDAQLOGKRAXPQJ-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581177098 484313246 /nfs/dbraw/zinc/31/32/46/484313246.db2.gz RDAQLOGKRAXPQJ-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581177098 484313242 /nfs/dbraw/zinc/31/32/42/484313242.db2.gz RDAQLOGKRAXPQJ-HNAYVOBHSA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177099 484313039 /nfs/dbraw/zinc/31/30/39/484313039.db2.gz RDAQLOGKRAXPQJ-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC[NH+]1CC(C)(C)O ZINC000581177099 484313034 /nfs/dbraw/zinc/31/30/34/484313034.db2.gz RDAQLOGKRAXPQJ-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581177099 484313030 /nfs/dbraw/zinc/31/30/30/484313030.db2.gz RDAQLOGKRAXPQJ-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581177099 484313027 /nfs/dbraw/zinc/31/30/27/484313027.db2.gz RDAQLOGKRAXPQJ-KXBFYZLASA-N 2 1 366.506 -0.156 20 0 FBADMP COC[C@@]1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000581181038 484313218 /nfs/dbraw/zinc/31/32/18/484313218.db2.gz JVTBWJQKIUVBSB-PBHICJAKSA-N 2 1 353.467 -0.639 20 0 FBADMP COC[C@]1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000581181039 484314255 /nfs/dbraw/zinc/31/42/55/484314255.db2.gz JVTBWJQKIUVBSB-RHSMWYFYSA-N 2 1 353.467 -0.639 20 0 FBADMP COC[C@]1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000581181040 484314296 /nfs/dbraw/zinc/31/42/96/484314296.db2.gz JVTBWJQKIUVBSB-WMLDXEAASA-N 2 1 353.467 -0.639 20 0 FBADMP COC[C@@]1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000581181041 484314127 /nfs/dbraw/zinc/31/41/27/484314127.db2.gz JVTBWJQKIUVBSB-YOEHRIQHSA-N 2 1 353.467 -0.639 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[NH2+]C1CC1 ZINC000581191441 484313173 /nfs/dbraw/zinc/31/31/73/484313173.db2.gz AJHJMDNVBOYAAL-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[NH2+]C1CC1 ZINC000581191442 484313711 /nfs/dbraw/zinc/31/37/11/484313711.db2.gz AJHJMDNVBOYAAL-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000581239385 484317158 /nfs/dbraw/zinc/31/71/58/484317158.db2.gz RNGIHLOZTRACAF-HNNXBMFYSA-N 2 1 356.467 -0.948 20 0 FBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000581239385 484317151 /nfs/dbraw/zinc/31/71/51/484317151.db2.gz RNGIHLOZTRACAF-HNNXBMFYSA-N 2 1 356.467 -0.948 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000581239386 484317559 /nfs/dbraw/zinc/31/75/59/484317559.db2.gz RNGIHLOZTRACAF-OAHLLOKOSA-N 2 1 356.467 -0.948 20 0 FBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000581239386 484317552 /nfs/dbraw/zinc/31/75/52/484317552.db2.gz RNGIHLOZTRACAF-OAHLLOKOSA-N 2 1 356.467 -0.948 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581245484 484316975 /nfs/dbraw/zinc/31/69/75/484316975.db2.gz BWMHIBVMNNXLIK-GOSISDBHSA-N 2 1 352.479 -0.496 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581245485 484317459 /nfs/dbraw/zinc/31/74/59/484317459.db2.gz BWMHIBVMNNXLIK-SFHVURJKSA-N 2 1 352.479 -0.496 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000581266504 484318277 /nfs/dbraw/zinc/31/82/77/484318277.db2.gz XDMAODCEDXCTRL-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000581266505 484318643 /nfs/dbraw/zinc/31/86/43/484318643.db2.gz XDMAODCEDXCTRL-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP COC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000581307926 484320700 /nfs/dbraw/zinc/32/07/00/484320700.db2.gz LLQMPTSIJFZKKB-GOSISDBHSA-N 2 1 362.478 -0.269 20 0 FBADMP COC[C@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000581307927 484320397 /nfs/dbraw/zinc/32/03/97/484320397.db2.gz LLQMPTSIJFZKKB-SFHVURJKSA-N 2 1 362.478 -0.269 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000581325891 484321340 /nfs/dbraw/zinc/32/13/40/484321340.db2.gz YNZGBWYQJUPWRX-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000581333743 484321282 /nfs/dbraw/zinc/32/12/82/484321282.db2.gz UHVCPPZJLRAULO-HNNXBMFYSA-N 2 1 372.535 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000581333743 484321275 /nfs/dbraw/zinc/32/12/75/484321275.db2.gz UHVCPPZJLRAULO-HNNXBMFYSA-N 2 1 372.535 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000581333744 484321589 /nfs/dbraw/zinc/32/15/89/484321589.db2.gz UHVCPPZJLRAULO-OAHLLOKOSA-N 2 1 372.535 -0.056 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000581333744 484321583 /nfs/dbraw/zinc/32/15/83/484321583.db2.gz UHVCPPZJLRAULO-OAHLLOKOSA-N 2 1 372.535 -0.056 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000581386343 484324551 /nfs/dbraw/zinc/32/45/51/484324551.db2.gz PXHDUULVTQKKQE-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000581386343 484324543 /nfs/dbraw/zinc/32/45/43/484324543.db2.gz PXHDUULVTQKKQE-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000581386343 484324535 /nfs/dbraw/zinc/32/45/35/484324535.db2.gz PXHDUULVTQKKQE-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000581435908 484328560 /nfs/dbraw/zinc/32/85/60/484328560.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000581435908 484328554 /nfs/dbraw/zinc/32/85/54/484328554.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000581435908 484328547 /nfs/dbraw/zinc/32/85/47/484328547.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000581435909 484328385 /nfs/dbraw/zinc/32/83/85/484328385.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000581435909 484328380 /nfs/dbraw/zinc/32/83/80/484328380.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000581435909 484328373 /nfs/dbraw/zinc/32/83/73/484328373.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000581435910 484327838 /nfs/dbraw/zinc/32/78/38/484327838.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000581435910 484327832 /nfs/dbraw/zinc/32/78/32/484327832.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000581435910 484327824 /nfs/dbraw/zinc/32/78/24/484327824.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000581435911 484328175 /nfs/dbraw/zinc/32/81/75/484328175.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000581435911 484328172 /nfs/dbraw/zinc/32/81/72/484328172.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000581435911 484328169 /nfs/dbraw/zinc/32/81/69/484328169.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000581440790 484328732 /nfs/dbraw/zinc/32/87/32/484328732.db2.gz RIVFOZMYJFOPNG-LJISPDSOSA-N 2 1 353.467 -0.561 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000581440791 484328211 /nfs/dbraw/zinc/32/82/11/484328211.db2.gz RIVFOZMYJFOPNG-LXTVHRRPSA-N 2 1 353.467 -0.561 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000581482799 484330405 /nfs/dbraw/zinc/33/04/05/484330405.db2.gz FULAQFROFSLRRR-CVEARBPZSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000581482799 484330399 /nfs/dbraw/zinc/33/03/99/484330399.db2.gz FULAQFROFSLRRR-CVEARBPZSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000581482800 484329874 /nfs/dbraw/zinc/32/98/74/484329874.db2.gz FULAQFROFSLRRR-HOTGVXAUSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000581482800 484329868 /nfs/dbraw/zinc/32/98/68/484329868.db2.gz FULAQFROFSLRRR-HOTGVXAUSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000581482801 484329916 /nfs/dbraw/zinc/32/99/16/484329916.db2.gz FULAQFROFSLRRR-HZPDHXFCSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000581482801 484329910 /nfs/dbraw/zinc/32/99/10/484329910.db2.gz FULAQFROFSLRRR-HZPDHXFCSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000581482802 484330095 /nfs/dbraw/zinc/33/00/95/484330095.db2.gz FULAQFROFSLRRR-JKSUJKDBSA-N 2 1 369.510 -0.953 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000581482802 484330090 /nfs/dbraw/zinc/33/00/90/484330090.db2.gz FULAQFROFSLRRR-JKSUJKDBSA-N 2 1 369.510 -0.953 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000581484340 484329972 /nfs/dbraw/zinc/32/99/72/484329972.db2.gz DZXKVHDXKPQJJM-PMACEKPBSA-N 2 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000581484340 484329968 /nfs/dbraw/zinc/32/99/68/484329968.db2.gz DZXKVHDXKPQJJM-PMACEKPBSA-N 2 1 362.518 -0.049 20 0 FBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000581484340 484329960 /nfs/dbraw/zinc/32/99/60/484329960.db2.gz DZXKVHDXKPQJJM-PMACEKPBSA-N 3 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000581484341 484330525 /nfs/dbraw/zinc/33/05/25/484330525.db2.gz DZXKVHDXKPQJJM-UXHICEINSA-N 2 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000581484341 484330520 /nfs/dbraw/zinc/33/05/20/484330520.db2.gz DZXKVHDXKPQJJM-UXHICEINSA-N 2 1 362.518 -0.049 20 0 FBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000581484341 484330514 /nfs/dbraw/zinc/33/05/14/484330514.db2.gz DZXKVHDXKPQJJM-UXHICEINSA-N 3 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000581484342 484331943 /nfs/dbraw/zinc/33/19/43/484331943.db2.gz DZXKVHDXKPQJJM-VQTJNVASSA-N 2 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000581484342 484331937 /nfs/dbraw/zinc/33/19/37/484331937.db2.gz DZXKVHDXKPQJJM-VQTJNVASSA-N 2 1 362.518 -0.049 20 0 FBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000581484342 484331934 /nfs/dbraw/zinc/33/19/34/484331934.db2.gz DZXKVHDXKPQJJM-VQTJNVASSA-N 3 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000581484343 484331434 /nfs/dbraw/zinc/33/14/34/484331434.db2.gz DZXKVHDXKPQJJM-WOJBJXKFSA-N 2 1 362.518 -0.049 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000581484343 484331428 /nfs/dbraw/zinc/33/14/28/484331428.db2.gz DZXKVHDXKPQJJM-WOJBJXKFSA-N 2 1 362.518 -0.049 20 0 FBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000581484343 484331423 /nfs/dbraw/zinc/33/14/23/484331423.db2.gz DZXKVHDXKPQJJM-WOJBJXKFSA-N 3 1 362.518 -0.049 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000581534400 484333399 /nfs/dbraw/zinc/33/33/99/484333399.db2.gz KGAYWDKBEXABQV-CVEARBPZSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000581534400 484333390 /nfs/dbraw/zinc/33/33/90/484333390.db2.gz KGAYWDKBEXABQV-CVEARBPZSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000581534401 484333122 /nfs/dbraw/zinc/33/31/22/484333122.db2.gz KGAYWDKBEXABQV-HOTGVXAUSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000581534401 484333118 /nfs/dbraw/zinc/33/31/18/484333118.db2.gz KGAYWDKBEXABQV-HOTGVXAUSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000581534402 484333443 /nfs/dbraw/zinc/33/34/43/484333443.db2.gz KGAYWDKBEXABQV-HZPDHXFCSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000581534402 484333438 /nfs/dbraw/zinc/33/34/38/484333438.db2.gz KGAYWDKBEXABQV-HZPDHXFCSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000581534403 484333229 /nfs/dbraw/zinc/33/32/29/484333229.db2.gz KGAYWDKBEXABQV-JKSUJKDBSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000581534403 484333224 /nfs/dbraw/zinc/33/32/24/484333224.db2.gz KGAYWDKBEXABQV-JKSUJKDBSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581550361 484335370 /nfs/dbraw/zinc/33/53/70/484335370.db2.gz XLYGBBBGLQJVGP-CFVMTHIKSA-N 2 1 356.492 -0.647 20 0 FBADMP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581550362 484335051 /nfs/dbraw/zinc/33/50/51/484335051.db2.gz XLYGBBBGLQJVGP-QEJZJMRPSA-N 2 1 356.492 -0.647 20 0 FBADMP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581550363 484334756 /nfs/dbraw/zinc/33/47/56/484334756.db2.gz XLYGBBBGLQJVGP-SNPRPXQTSA-N 2 1 356.492 -0.647 20 0 FBADMP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581550364 484335492 /nfs/dbraw/zinc/33/54/92/484335492.db2.gz XLYGBBBGLQJVGP-YUELXQCFSA-N 2 1 356.492 -0.647 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581593769 484338547 /nfs/dbraw/zinc/33/85/47/484338547.db2.gz AYUSZTKCKAUSTP-DLBZAZTESA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581593771 484337672 /nfs/dbraw/zinc/33/76/72/484337672.db2.gz AYUSZTKCKAUSTP-IRXDYDNUSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581593772 484338055 /nfs/dbraw/zinc/33/80/55/484338055.db2.gz AYUSZTKCKAUSTP-SJORKVTESA-N 2 1 364.490 -0.136 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000581597958 484338596 /nfs/dbraw/zinc/33/85/96/484338596.db2.gz RKFRBYVYELMNFT-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000581597958 484338592 /nfs/dbraw/zinc/33/85/92/484338592.db2.gz RKFRBYVYELMNFT-INIZCTEOSA-N 2 1 369.510 -0.049 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000581597959 484338193 /nfs/dbraw/zinc/33/81/93/484338193.db2.gz RKFRBYVYELMNFT-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000581597959 484338186 /nfs/dbraw/zinc/33/81/86/484338186.db2.gz RKFRBYVYELMNFT-MRXNPFEDSA-N 2 1 369.510 -0.049 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000581598227 484337579 /nfs/dbraw/zinc/33/75/79/484337579.db2.gz LUEHBIFATSXKEJ-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000581598228 484338691 /nfs/dbraw/zinc/33/86/91/484338691.db2.gz LUEHBIFATSXKEJ-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1)CC[NH+](C)C ZINC000581613569 484339841 /nfs/dbraw/zinc/33/98/41/484339841.db2.gz MJIDWMWTYXZNHD-UHFFFAOYSA-N 2 1 355.527 -0.084 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000581613569 484339834 /nfs/dbraw/zinc/33/98/34/484339834.db2.gz MJIDWMWTYXZNHD-UHFFFAOYSA-N 2 1 355.527 -0.084 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCOC3C[NH2+]C3)CC2)CC1 ZINC000581664932 484342771 /nfs/dbraw/zinc/34/27/71/484342771.db2.gz KMONSAJHACTMIU-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000581690369 484344934 /nfs/dbraw/zinc/34/49/34/484344934.db2.gz GMGHBIHBSZOGRG-CABCVRRESA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000581690369 484344930 /nfs/dbraw/zinc/34/49/30/484344930.db2.gz GMGHBIHBSZOGRG-CABCVRRESA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000581690370 484344354 /nfs/dbraw/zinc/34/43/54/484344354.db2.gz GMGHBIHBSZOGRG-GJZGRUSLSA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000581690370 484344346 /nfs/dbraw/zinc/34/43/46/484344346.db2.gz GMGHBIHBSZOGRG-GJZGRUSLSA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000581690371 484344971 /nfs/dbraw/zinc/34/49/71/484344971.db2.gz GMGHBIHBSZOGRG-HUUCEWRRSA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000581690371 484344964 /nfs/dbraw/zinc/34/49/64/484344964.db2.gz GMGHBIHBSZOGRG-HUUCEWRRSA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000581690372 484344227 /nfs/dbraw/zinc/34/42/27/484344227.db2.gz GMGHBIHBSZOGRG-LSDHHAIUSA-N 2 1 362.540 -0.507 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000581690372 484344219 /nfs/dbraw/zinc/34/42/19/484344219.db2.gz GMGHBIHBSZOGRG-LSDHHAIUSA-N 2 1 362.540 -0.507 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581692117 484344062 /nfs/dbraw/zinc/34/40/62/484344062.db2.gz GYVAIWHXECNNBR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581692118 484344100 /nfs/dbraw/zinc/34/41/00/484344100.db2.gz GYVAIWHXECNNBR-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581692119 484344891 /nfs/dbraw/zinc/34/48/91/484344891.db2.gz GYVAIWHXECNNBR-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581692120 484344750 /nfs/dbraw/zinc/34/47/50/484344750.db2.gz GYVAIWHXECNNBR-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721100 484346476 /nfs/dbraw/zinc/34/64/76/484346476.db2.gz FHNHKSBARSZTOX-HRCADAONSA-N 2 1 350.467 -0.033 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721101 484345953 /nfs/dbraw/zinc/34/59/53/484345953.db2.gz FHNHKSBARSZTOX-OWCLPIDISA-N 2 1 350.467 -0.033 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581742105 484348284 /nfs/dbraw/zinc/34/82/84/484348284.db2.gz IMKXYGRLSBALEJ-CYBMUJFWSA-N 2 1 355.483 -0.888 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581742106 484348430 /nfs/dbraw/zinc/34/84/30/484348430.db2.gz IMKXYGRLSBALEJ-ZDUSSCGKSA-N 2 1 355.483 -0.888 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000581751933 484348506 /nfs/dbraw/zinc/34/85/06/484348506.db2.gz ZSCMUJYOIFKCFR-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000581751933 484348502 /nfs/dbraw/zinc/34/85/02/484348502.db2.gz ZSCMUJYOIFKCFR-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000581751933 484348494 /nfs/dbraw/zinc/34/84/94/484348494.db2.gz ZSCMUJYOIFKCFR-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000581751933 484348486 /nfs/dbraw/zinc/34/84/86/484348486.db2.gz ZSCMUJYOIFKCFR-FMKPAKJESA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000581751934 484347868 /nfs/dbraw/zinc/34/78/68/484347868.db2.gz ZSCMUJYOIFKCFR-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000581751934 484347863 /nfs/dbraw/zinc/34/78/63/484347863.db2.gz ZSCMUJYOIFKCFR-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000581751934 484347858 /nfs/dbraw/zinc/34/78/58/484347858.db2.gz ZSCMUJYOIFKCFR-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000581751934 484347852 /nfs/dbraw/zinc/34/78/52/484347852.db2.gz ZSCMUJYOIFKCFR-IIAWOOMASA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000581751935 484348676 /nfs/dbraw/zinc/34/86/76/484348676.db2.gz ZSCMUJYOIFKCFR-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000581751935 484348674 /nfs/dbraw/zinc/34/86/74/484348674.db2.gz ZSCMUJYOIFKCFR-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000581751935 484348667 /nfs/dbraw/zinc/34/86/67/484348667.db2.gz ZSCMUJYOIFKCFR-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000581751935 484348661 /nfs/dbraw/zinc/34/86/61/484348661.db2.gz ZSCMUJYOIFKCFR-IJEWVQPXSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000581751936 484347810 /nfs/dbraw/zinc/34/78/10/484347810.db2.gz ZSCMUJYOIFKCFR-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000581751936 484347806 /nfs/dbraw/zinc/34/78/06/484347806.db2.gz ZSCMUJYOIFKCFR-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000581751936 484347800 /nfs/dbraw/zinc/34/78/00/484347800.db2.gz ZSCMUJYOIFKCFR-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000581751936 484347791 /nfs/dbraw/zinc/34/77/91/484347791.db2.gz ZSCMUJYOIFKCFR-YCPHGPKFSA-N 2 1 366.506 -0.111 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000581777619 484350149 /nfs/dbraw/zinc/35/01/49/484350149.db2.gz DAQVBKZSOIGQST-CRAIPNDOSA-N 2 1 373.501 -0.349 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000581777619 484350142 /nfs/dbraw/zinc/35/01/42/484350142.db2.gz DAQVBKZSOIGQST-CRAIPNDOSA-N 2 1 373.501 -0.349 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000581777620 484350355 /nfs/dbraw/zinc/35/03/55/484350355.db2.gz DAQVBKZSOIGQST-MAUKXSAKSA-N 2 1 373.501 -0.349 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000581777620 484350352 /nfs/dbraw/zinc/35/03/52/484350352.db2.gz DAQVBKZSOIGQST-MAUKXSAKSA-N 2 1 373.501 -0.349 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581822637 484350203 /nfs/dbraw/zinc/35/02/03/484350203.db2.gz FTJGLKILQFZTMT-BBWFWOEESA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581822639 484349555 /nfs/dbraw/zinc/34/95/55/484349555.db2.gz FTJGLKILQFZTMT-IXDOHACOSA-N 2 1 365.522 -0.128 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000581823305 484349943 /nfs/dbraw/zinc/34/99/43/484349943.db2.gz YMFWJIDGAFDTGP-GDBMZVCRSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000581823306 484349359 /nfs/dbraw/zinc/34/93/59/484349359.db2.gz YMFWJIDGAFDTGP-GOEBONIOSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000581823307 484349925 /nfs/dbraw/zinc/34/99/25/484349925.db2.gz YMFWJIDGAFDTGP-HOCLYGCPSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000581823308 484349758 /nfs/dbraw/zinc/34/97/58/484349758.db2.gz YMFWJIDGAFDTGP-ZBFHGGJFSA-N 2 1 352.479 -0.057 20 0 FBADMP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581823660 484349578 /nfs/dbraw/zinc/34/95/78/484349578.db2.gz UXGCBDJWSDKCKL-CVEARBPZSA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581823661 484350020 /nfs/dbraw/zinc/35/00/20/484350020.db2.gz UXGCBDJWSDKCKL-HOTGVXAUSA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581823662 484350063 /nfs/dbraw/zinc/35/00/63/484350063.db2.gz UXGCBDJWSDKCKL-HZPDHXFCSA-N 2 1 360.462 -0.156 20 0 FBADMP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581823663 484350054 /nfs/dbraw/zinc/35/00/54/484350054.db2.gz UXGCBDJWSDKCKL-JKSUJKDBSA-N 2 1 360.462 -0.156 20 0 FBADMP C[C@]1(C[NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000581885397 484352526 /nfs/dbraw/zinc/35/25/26/484352526.db2.gz XZDMVUQTXCRRCX-CRAIPNDOSA-N 2 1 352.479 -0.103 20 0 FBADMP C[C@]1(C[NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000581885398 484353353 /nfs/dbraw/zinc/35/33/53/484353353.db2.gz XZDMVUQTXCRRCX-MAUKXSAKSA-N 2 1 352.479 -0.103 20 0 FBADMP C[C@@]1(C[NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000581885399 484353057 /nfs/dbraw/zinc/35/30/57/484353057.db2.gz XZDMVUQTXCRRCX-QAPCUYQASA-N 2 1 352.479 -0.103 20 0 FBADMP C[C@@]1(C[NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000581885400 484352709 /nfs/dbraw/zinc/35/27/09/484352709.db2.gz XZDMVUQTXCRRCX-YJBOKZPZSA-N 2 1 352.479 -0.103 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000581940765 484363473 /nfs/dbraw/zinc/36/34/73/484363473.db2.gz YNTKEKISVAIHQH-HNNXBMFYSA-N 2 1 365.482 -0.311 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000581940766 484363379 /nfs/dbraw/zinc/36/33/79/484363379.db2.gz YNTKEKISVAIHQH-OAHLLOKOSA-N 2 1 365.482 -0.311 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000581968908 484371697 /nfs/dbraw/zinc/37/16/97/484371697.db2.gz GYUDILSQTGHAEE-CABCVRRESA-N 3 1 353.511 -0.320 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000581968909 484371926 /nfs/dbraw/zinc/37/19/26/484371926.db2.gz GYUDILSQTGHAEE-GJZGRUSLSA-N 3 1 353.511 -0.320 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000581968910 484372271 /nfs/dbraw/zinc/37/22/71/484372271.db2.gz GYUDILSQTGHAEE-HUUCEWRRSA-N 3 1 353.511 -0.320 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000581968911 484372508 /nfs/dbraw/zinc/37/25/08/484372508.db2.gz GYUDILSQTGHAEE-LSDHHAIUSA-N 3 1 353.511 -0.320 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581997346 484377132 /nfs/dbraw/zinc/37/71/32/484377132.db2.gz YJHAFPVQVLWMSM-KBXCAEBGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581997346 484377126 /nfs/dbraw/zinc/37/71/26/484377126.db2.gz YJHAFPVQVLWMSM-KBXCAEBGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581997347 484376126 /nfs/dbraw/zinc/37/61/26/484376126.db2.gz YJHAFPVQVLWMSM-KDOFPFPSSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581997347 484376114 /nfs/dbraw/zinc/37/61/14/484376114.db2.gz YJHAFPVQVLWMSM-KDOFPFPSSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581997348 484375935 /nfs/dbraw/zinc/37/59/35/484375935.db2.gz YJHAFPVQVLWMSM-KSSFIOAISA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581997348 484375932 /nfs/dbraw/zinc/37/59/32/484375932.db2.gz YJHAFPVQVLWMSM-KSSFIOAISA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CC(C)(C)O ZINC000581997349 484377083 /nfs/dbraw/zinc/37/70/83/484377083.db2.gz YJHAFPVQVLWMSM-RDTXWAMCSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000581997349 484377075 /nfs/dbraw/zinc/37/70/75/484377075.db2.gz YJHAFPVQVLWMSM-RDTXWAMCSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)N1CC[NH+](C)CC1 ZINC000582003362 484380034 /nfs/dbraw/zinc/38/00/34/484380034.db2.gz GYEYFZQUGNYFRP-CYBMUJFWSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)N1CC[NH+](C)CC1 ZINC000582003363 484379621 /nfs/dbraw/zinc/37/96/21/484379621.db2.gz GYEYFZQUGNYFRP-ZDUSSCGKSA-N 2 1 369.491 -0.502 20 0 FBADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000582006405 484380003 /nfs/dbraw/zinc/38/00/03/484380003.db2.gz JCZWLJCLRWVAFU-KRWDZBQOSA-N 2 1 373.505 -0.505 20 0 FBADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000582006406 484379639 /nfs/dbraw/zinc/37/96/39/484379639.db2.gz JCZWLJCLRWVAFU-QGZVFWFLSA-N 2 1 373.505 -0.505 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028730 483476787 /nfs/dbraw/zinc/47/67/87/483476787.db2.gz GDNFNZYCJJBCEL-GDBMZVCRSA-N 3 1 353.511 -0.463 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028731 483475762 /nfs/dbraw/zinc/47/57/62/483475762.db2.gz GDNFNZYCJJBCEL-GOEBONIOSA-N 3 1 353.511 -0.463 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028732 483476801 /nfs/dbraw/zinc/47/68/01/483476801.db2.gz GDNFNZYCJJBCEL-HOCLYGCPSA-N 3 1 353.511 -0.463 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028733 483476131 /nfs/dbraw/zinc/47/61/31/483476131.db2.gz GDNFNZYCJJBCEL-ZBFHGGJFSA-N 3 1 353.511 -0.463 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068295 483490469 /nfs/dbraw/zinc/49/04/69/483490469.db2.gz GNIHIOOHEBNHFX-INIZCTEOSA-N 2 1 367.538 -0.036 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068296 483490109 /nfs/dbraw/zinc/49/01/09/483490109.db2.gz GNIHIOOHEBNHFX-MRXNPFEDSA-N 2 1 367.538 -0.036 20 0 FBADMP C[NH2+]CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000582122821 483833595 /nfs/dbraw/zinc/83/35/95/483833595.db2.gz DRHPZUBWCHBCFU-UHFFFAOYSA-N 2 1 365.478 -0.101 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000582133885 483470527 /nfs/dbraw/zinc/47/05/27/483470527.db2.gz RDKZNHCQSMJTMC-HNNXBMFYSA-N 2 1 357.418 -0.061 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000582133885 483470520 /nfs/dbraw/zinc/47/05/20/483470520.db2.gz RDKZNHCQSMJTMC-HNNXBMFYSA-N 2 1 357.418 -0.061 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000582133886 483470174 /nfs/dbraw/zinc/47/01/74/483470174.db2.gz RDKZNHCQSMJTMC-OAHLLOKOSA-N 2 1 357.418 -0.061 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000582133886 483470170 /nfs/dbraw/zinc/47/01/70/483470170.db2.gz RDKZNHCQSMJTMC-OAHLLOKOSA-N 2 1 357.418 -0.061 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000582185897 484125898 /nfs/dbraw/zinc/12/58/98/484125898.db2.gz FIQYOHRARZQROD-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000582230825 484511103 /nfs/dbraw/zinc/51/11/03/484511103.db2.gz HAPVSPGVTOCQMA-CVEARBPZSA-N 2 1 362.478 -0.120 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000582230826 484510342 /nfs/dbraw/zinc/51/03/42/484510342.db2.gz HAPVSPGVTOCQMA-HOTGVXAUSA-N 2 1 362.478 -0.120 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000582230827 484510844 /nfs/dbraw/zinc/51/08/44/484510844.db2.gz HAPVSPGVTOCQMA-HZPDHXFCSA-N 2 1 362.478 -0.120 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000582230828 484510617 /nfs/dbraw/zinc/51/06/17/484510617.db2.gz HAPVSPGVTOCQMA-JKSUJKDBSA-N 2 1 362.478 -0.120 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000582231605 484511156 /nfs/dbraw/zinc/51/11/56/484511156.db2.gz TZSQQDLBZGIBDO-BARDWOONSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000582231605 484511153 /nfs/dbraw/zinc/51/11/53/484511153.db2.gz TZSQQDLBZGIBDO-BARDWOONSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC000582231606 484511224 /nfs/dbraw/zinc/51/12/24/484511224.db2.gz TZSQQDLBZGIBDO-TUVASFSCSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000582231607 484510459 /nfs/dbraw/zinc/51/04/59/484510459.db2.gz TZSQQDLBZGIBDO-XQLPTFJDSA-N 2 1 352.479 -0.189 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1(C)C ZINC000582247164 484543960 /nfs/dbraw/zinc/54/39/60/484543960.db2.gz FUDNHPKYGFULRE-UHFFFAOYSA-N 2 1 353.511 -0.284 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000582259035 484546820 /nfs/dbraw/zinc/54/68/20/484546820.db2.gz VRRAMPGSRLTBDT-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000582259036 484547594 /nfs/dbraw/zinc/54/75/94/484547594.db2.gz VRRAMPGSRLTBDT-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000582355637 484173775 /nfs/dbraw/zinc/17/37/75/484173775.db2.gz SVXAEDPLCAZDIC-JYJNAYRXSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000582355637 484173770 /nfs/dbraw/zinc/17/37/70/484173770.db2.gz SVXAEDPLCAZDIC-JYJNAYRXSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000582355638 484173964 /nfs/dbraw/zinc/17/39/64/484173964.db2.gz SVXAEDPLCAZDIC-OAGGEKHMSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000582355638 484173961 /nfs/dbraw/zinc/17/39/61/484173961.db2.gz SVXAEDPLCAZDIC-OAGGEKHMSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000582355639 484173343 /nfs/dbraw/zinc/17/33/43/484173343.db2.gz SVXAEDPLCAZDIC-PMPSAXMXSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000582355639 484173339 /nfs/dbraw/zinc/17/33/39/484173339.db2.gz SVXAEDPLCAZDIC-PMPSAXMXSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000582355640 484173593 /nfs/dbraw/zinc/17/35/93/484173593.db2.gz SVXAEDPLCAZDIC-XHSDSOJGSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000582355640 484173587 /nfs/dbraw/zinc/17/35/87/484173587.db2.gz SVXAEDPLCAZDIC-XHSDSOJGSA-N 2 1 366.506 -0.110 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000582406229 484209261 /nfs/dbraw/zinc/20/92/61/484209261.db2.gz BCEZKESASIHAPD-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000582406229 484209257 /nfs/dbraw/zinc/20/92/57/484209257.db2.gz BCEZKESASIHAPD-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000582406229 484209248 /nfs/dbraw/zinc/20/92/48/484209248.db2.gz BCEZKESASIHAPD-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000582406229 484209241 /nfs/dbraw/zinc/20/92/41/484209241.db2.gz BCEZKESASIHAPD-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000582406230 484209908 /nfs/dbraw/zinc/20/99/08/484209908.db2.gz BCEZKESASIHAPD-FXUDXRNXSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000582406230 484209905 /nfs/dbraw/zinc/20/99/05/484209905.db2.gz BCEZKESASIHAPD-FXUDXRNXSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000582406230 484209902 /nfs/dbraw/zinc/20/99/02/484209902.db2.gz BCEZKESASIHAPD-FXUDXRNXSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000582406230 484209898 /nfs/dbraw/zinc/20/98/98/484209898.db2.gz BCEZKESASIHAPD-FXUDXRNXSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000582406231 484209800 /nfs/dbraw/zinc/20/98/00/484209800.db2.gz BCEZKESASIHAPD-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000582406231 484209795 /nfs/dbraw/zinc/20/97/95/484209795.db2.gz BCEZKESASIHAPD-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000582406231 484209791 /nfs/dbraw/zinc/20/97/91/484209791.db2.gz BCEZKESASIHAPD-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000582406231 484209788 /nfs/dbraw/zinc/20/97/88/484209788.db2.gz BCEZKESASIHAPD-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000582406232 484209483 /nfs/dbraw/zinc/20/94/83/484209483.db2.gz BCEZKESASIHAPD-YHUYYLMFSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1C[C@H](C)O ZINC000582406232 484209478 /nfs/dbraw/zinc/20/94/78/484209478.db2.gz BCEZKESASIHAPD-YHUYYLMFSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000582406232 484209472 /nfs/dbraw/zinc/20/94/72/484209472.db2.gz BCEZKESASIHAPD-YHUYYLMFSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000582406232 484209467 /nfs/dbraw/zinc/20/94/67/484209467.db2.gz BCEZKESASIHAPD-YHUYYLMFSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582476859 484471322 /nfs/dbraw/zinc/47/13/22/484471322.db2.gz SXGAYSCGBYQBND-HNNXBMFYSA-N 2 1 367.494 -0.837 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582476860 484471473 /nfs/dbraw/zinc/47/14/73/484471473.db2.gz SXGAYSCGBYQBND-OAHLLOKOSA-N 2 1 367.494 -0.837 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000582480731 484471821 /nfs/dbraw/zinc/47/18/21/484471821.db2.gz SNLSCISQFUZUEK-BPKGMFCQSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000582480731 484471816 /nfs/dbraw/zinc/47/18/16/484471816.db2.gz SNLSCISQFUZUEK-BPKGMFCQSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000582480732 484471806 /nfs/dbraw/zinc/47/18/06/484471806.db2.gz SNLSCISQFUZUEK-MTSZKFMLSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000582480733 484472000 /nfs/dbraw/zinc/47/20/00/484472000.db2.gz SNLSCISQFUZUEK-NNXHMXCWSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000582480733 484471998 /nfs/dbraw/zinc/47/19/98/484471998.db2.gz SNLSCISQFUZUEK-NNXHMXCWSA-N 2 1 364.490 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000582480734 484471922 /nfs/dbraw/zinc/47/19/22/484471922.db2.gz SNLSCISQFUZUEK-OVYGPGRDSA-N 2 1 364.490 -0.236 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000582483198 484471712 /nfs/dbraw/zinc/47/17/12/484471712.db2.gz QWXYOFDKWAFNOZ-JKSUJKDBSA-N 3 1 353.511 -0.509 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487642 484471599 /nfs/dbraw/zinc/47/15/99/484471599.db2.gz OWNLKYAQOXLZDU-DLBZAZTESA-N 3 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487642 484471596 /nfs/dbraw/zinc/47/15/96/484471596.db2.gz OWNLKYAQOXLZDU-DLBZAZTESA-N 3 1 365.522 -0.269 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487642 484471593 /nfs/dbraw/zinc/47/15/93/484471593.db2.gz OWNLKYAQOXLZDU-DLBZAZTESA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487643 484471564 /nfs/dbraw/zinc/47/15/64/484471564.db2.gz OWNLKYAQOXLZDU-IAGOWNOFSA-N 3 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487643 484471561 /nfs/dbraw/zinc/47/15/61/484471561.db2.gz OWNLKYAQOXLZDU-IAGOWNOFSA-N 3 1 365.522 -0.269 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487643 484471556 /nfs/dbraw/zinc/47/15/56/484471556.db2.gz OWNLKYAQOXLZDU-IAGOWNOFSA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487644 484471729 /nfs/dbraw/zinc/47/17/29/484471729.db2.gz OWNLKYAQOXLZDU-IRXDYDNUSA-N 3 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487644 484471723 /nfs/dbraw/zinc/47/17/23/484471723.db2.gz OWNLKYAQOXLZDU-IRXDYDNUSA-N 3 1 365.522 -0.269 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487644 484471721 /nfs/dbraw/zinc/47/17/21/484471721.db2.gz OWNLKYAQOXLZDU-IRXDYDNUSA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487645 484471358 /nfs/dbraw/zinc/47/13/58/484471358.db2.gz OWNLKYAQOXLZDU-SJORKVTESA-N 3 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487645 484471354 /nfs/dbraw/zinc/47/13/54/484471354.db2.gz OWNLKYAQOXLZDU-SJORKVTESA-N 3 1 365.522 -0.269 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487645 484471349 /nfs/dbraw/zinc/47/13/49/484471349.db2.gz OWNLKYAQOXLZDU-SJORKVTESA-N 2 1 365.522 -0.269 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)CC[NH2+]CC2 ZINC000582541167 484475325 /nfs/dbraw/zinc/47/53/25/484475325.db2.gz AISWSUJUPISWEC-HRCADAONSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)CC[NH2+]CC2 ZINC000582541167 484475320 /nfs/dbraw/zinc/47/53/20/484475320.db2.gz AISWSUJUPISWEC-HRCADAONSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)CC[NH2+]CC2 ZINC000582541168 484475146 /nfs/dbraw/zinc/47/51/46/484475146.db2.gz AISWSUJUPISWEC-OAGGEKHMSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)CC[NH2+]CC2 ZINC000582541168 484475138 /nfs/dbraw/zinc/47/51/38/484475138.db2.gz AISWSUJUPISWEC-OAGGEKHMSA-N 2 1 366.506 -0.110 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000582541909 484475386 /nfs/dbraw/zinc/47/53/86/484475386.db2.gz SJDJPJBSRSVKNF-GOSISDBHSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000582541910 484475308 /nfs/dbraw/zinc/47/53/08/484475308.db2.gz SJDJPJBSRSVKNF-SFHVURJKSA-N 2 1 352.479 -0.232 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548901 484473831 /nfs/dbraw/zinc/47/38/31/484473831.db2.gz FPUGVCLUVULNFJ-BFHYXJOUSA-N 2 1 360.462 -0.117 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548902 484474388 /nfs/dbraw/zinc/47/43/88/484474388.db2.gz FPUGVCLUVULNFJ-IHRRRGAJSA-N 2 1 360.462 -0.117 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548903 484473878 /nfs/dbraw/zinc/47/38/78/484473878.db2.gz FPUGVCLUVULNFJ-MELADBBJSA-N 2 1 360.462 -0.117 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548904 484474150 /nfs/dbraw/zinc/47/41/50/484474150.db2.gz FPUGVCLUVULNFJ-MJBXVCDLSA-N 2 1 360.462 -0.117 20 0 FBADMP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000582712088 484480408 /nfs/dbraw/zinc/48/04/08/484480408.db2.gz LJGZGLGHAMKTBT-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000582712089 484480349 /nfs/dbraw/zinc/48/03/49/484480349.db2.gz LJGZGLGHAMKTBT-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCC[NH3+])c2cccs2)CC1 ZINC000582715665 484480652 /nfs/dbraw/zinc/48/06/52/484480652.db2.gz GVOOAGLNCFGWGH-CYBMUJFWSA-N 2 1 353.492 -0.382 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCC[NH3+])c2cccs2)CC1 ZINC000582715666 484481934 /nfs/dbraw/zinc/48/19/34/484481934.db2.gz GVOOAGLNCFGWGH-ZDUSSCGKSA-N 2 1 353.492 -0.382 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726883 484481682 /nfs/dbraw/zinc/48/16/82/484481682.db2.gz ODFSUEPGHIWLMN-CVEARBPZSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726883 484481675 /nfs/dbraw/zinc/48/16/75/484481675.db2.gz ODFSUEPGHIWLMN-CVEARBPZSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726885 484481792 /nfs/dbraw/zinc/48/17/92/484481792.db2.gz ODFSUEPGHIWLMN-HOTGVXAUSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726885 484481788 /nfs/dbraw/zinc/48/17/88/484481788.db2.gz ODFSUEPGHIWLMN-HOTGVXAUSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726887 484482621 /nfs/dbraw/zinc/48/26/21/484482621.db2.gz ODFSUEPGHIWLMN-HZPDHXFCSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726887 484482617 /nfs/dbraw/zinc/48/26/17/484482617.db2.gz ODFSUEPGHIWLMN-HZPDHXFCSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726889 484482272 /nfs/dbraw/zinc/48/22/72/484482272.db2.gz ODFSUEPGHIWLMN-JKSUJKDBSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726889 484482269 /nfs/dbraw/zinc/48/22/69/484482269.db2.gz ODFSUEPGHIWLMN-JKSUJKDBSA-N 2 1 352.479 -0.199 20 0 FBADMP CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582727162 484482631 /nfs/dbraw/zinc/48/26/31/484482631.db2.gz RUQKSOJNVYIOCR-IBGZPJMESA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C(=O)[C@]1(C)CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582727164 484481764 /nfs/dbraw/zinc/48/17/64/484481764.db2.gz RUQKSOJNVYIOCR-LJQANCHMSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000582783177 484495048 /nfs/dbraw/zinc/49/50/48/484495048.db2.gz JDZPVXWBBYCHFS-CYBMUJFWSA-N 2 1 361.450 -0.941 20 0 FBADMP CN(C)c1nc(N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000582783178 484494976 /nfs/dbraw/zinc/49/49/76/484494976.db2.gz JDZPVXWBBYCHFS-ZDUSSCGKSA-N 2 1 361.450 -0.941 20 0 FBADMP [NH3+]CCCn1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000582843214 484506452 /nfs/dbraw/zinc/50/64/52/484506452.db2.gz ZYJGXSLJLJUACT-UHFFFAOYSA-N 2 1 372.477 -0.036 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000582851893 484507836 /nfs/dbraw/zinc/50/78/36/484507836.db2.gz SKRTWHJMGFKQQX-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000582851893 484507833 /nfs/dbraw/zinc/50/78/33/484507833.db2.gz SKRTWHJMGFKQQX-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000582851893 484507829 /nfs/dbraw/zinc/50/78/29/484507829.db2.gz SKRTWHJMGFKQQX-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000582851895 484507692 /nfs/dbraw/zinc/50/76/92/484507692.db2.gz SKRTWHJMGFKQQX-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000582851895 484507689 /nfs/dbraw/zinc/50/76/89/484507689.db2.gz SKRTWHJMGFKQQX-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000582851895 484507684 /nfs/dbraw/zinc/50/76/84/484507684.db2.gz SKRTWHJMGFKQQX-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000582851896 484507664 /nfs/dbraw/zinc/50/76/64/484507664.db2.gz SKRTWHJMGFKQQX-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000582851896 484507659 /nfs/dbraw/zinc/50/76/59/484507659.db2.gz SKRTWHJMGFKQQX-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000582851896 484507653 /nfs/dbraw/zinc/50/76/53/484507653.db2.gz SKRTWHJMGFKQQX-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000582851899 484507494 /nfs/dbraw/zinc/50/74/94/484507494.db2.gz SKRTWHJMGFKQQX-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000582851899 484507488 /nfs/dbraw/zinc/50/74/88/484507488.db2.gz SKRTWHJMGFKQQX-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000582851899 484507484 /nfs/dbraw/zinc/50/74/84/484507484.db2.gz SKRTWHJMGFKQQX-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000582859011 484507712 /nfs/dbraw/zinc/50/77/12/484507712.db2.gz BSCUHANZESNBFH-UHFFFAOYSA-N 2 1 352.479 -0.088 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582874553 484507410 /nfs/dbraw/zinc/50/74/10/484507410.db2.gz RLWMNLTZYWLNNY-IPELMVKDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582874553 484507405 /nfs/dbraw/zinc/50/74/05/484507405.db2.gz RLWMNLTZYWLNNY-IPELMVKDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000582874553 484507401 /nfs/dbraw/zinc/50/74/01/484507401.db2.gz RLWMNLTZYWLNNY-IPELMVKDSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582874556 484507973 /nfs/dbraw/zinc/50/79/73/484507973.db2.gz RLWMNLTZYWLNNY-KFKAGJAMSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000582874556 484507970 /nfs/dbraw/zinc/50/79/70/484507970.db2.gz RLWMNLTZYWLNNY-KFKAGJAMSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000582874556 484507967 /nfs/dbraw/zinc/50/79/67/484507967.db2.gz RLWMNLTZYWLNNY-KFKAGJAMSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582874558 484507610 /nfs/dbraw/zinc/50/76/10/484507610.db2.gz RLWMNLTZYWLNNY-SNRMKQJTSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582874558 484507606 /nfs/dbraw/zinc/50/76/06/484507606.db2.gz RLWMNLTZYWLNNY-SNRMKQJTSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000582874558 484507603 /nfs/dbraw/zinc/50/76/03/484507603.db2.gz RLWMNLTZYWLNNY-SNRMKQJTSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582874559 484507815 /nfs/dbraw/zinc/50/78/15/484507815.db2.gz RLWMNLTZYWLNNY-ZYSHUDEJSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000582874559 484507812 /nfs/dbraw/zinc/50/78/12/484507812.db2.gz RLWMNLTZYWLNNY-ZYSHUDEJSA-N 2 1 354.539 -0.097 20 0 FBADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000582874559 484507810 /nfs/dbraw/zinc/50/78/10/484507810.db2.gz RLWMNLTZYWLNNY-ZYSHUDEJSA-N 2 1 354.539 -0.097 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582904449 484508886 /nfs/dbraw/zinc/50/88/86/484508886.db2.gz TWWMTMTZPPXPSX-UHFFFAOYSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000583010536 484513091 /nfs/dbraw/zinc/51/30/91/484513091.db2.gz GWIWXLUJQJSMOC-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000583010536 484513085 /nfs/dbraw/zinc/51/30/85/484513085.db2.gz GWIWXLUJQJSMOC-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000583010545 484513569 /nfs/dbraw/zinc/51/35/69/484513569.db2.gz GWIWXLUJQJSMOC-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000583010545 484513564 /nfs/dbraw/zinc/51/35/64/484513564.db2.gz GWIWXLUJQJSMOC-HOTGVXAUSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000583010546 484513608 /nfs/dbraw/zinc/51/36/08/484513608.db2.gz GWIWXLUJQJSMOC-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000583010546 484513606 /nfs/dbraw/zinc/51/36/06/484513606.db2.gz GWIWXLUJQJSMOC-HZPDHXFCSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000583010547 484513371 /nfs/dbraw/zinc/51/33/71/484513371.db2.gz GWIWXLUJQJSMOC-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000583010547 484513367 /nfs/dbraw/zinc/51/33/67/484513367.db2.gz GWIWXLUJQJSMOC-JKSUJKDBSA-N 2 1 366.506 -0.013 20 0 FBADMP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000583023954 484511695 /nfs/dbraw/zinc/51/16/95/484511695.db2.gz XGYPASAZHMGDKN-HNNXBMFYSA-N 2 1 352.460 -0.998 20 0 FBADMP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000583023955 484511708 /nfs/dbraw/zinc/51/17/08/484511708.db2.gz XGYPASAZHMGDKN-OAHLLOKOSA-N 2 1 352.460 -0.998 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000583134757 484518652 /nfs/dbraw/zinc/51/86/52/484518652.db2.gz YUGHDAHKYPGDRV-KRWDZBQOSA-N 2 1 367.538 -0.071 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000583134758 484518472 /nfs/dbraw/zinc/51/84/72/484518472.db2.gz YUGHDAHKYPGDRV-QGZVFWFLSA-N 2 1 367.538 -0.071 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000583149712 484519321 /nfs/dbraw/zinc/51/93/21/484519321.db2.gz BFIKZDNEELCGOY-AWEZNQCLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000583149712 484519315 /nfs/dbraw/zinc/51/93/15/484519315.db2.gz BFIKZDNEELCGOY-AWEZNQCLSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000583149713 484519613 /nfs/dbraw/zinc/51/96/13/484519613.db2.gz BFIKZDNEELCGOY-CQSZACIVSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000583149713 484519606 /nfs/dbraw/zinc/51/96/06/484519606.db2.gz BFIKZDNEELCGOY-CQSZACIVSA-N 2 1 354.495 -0.123 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000583189956 484524782 /nfs/dbraw/zinc/52/47/82/484524782.db2.gz NQYXADIZSCMPJD-UHFFFAOYSA-N 3 1 355.527 -0.262 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000583328028 484545741 /nfs/dbraw/zinc/54/57/41/484545741.db2.gz PIZHRGCPJQPKQO-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000583328029 484544853 /nfs/dbraw/zinc/54/48/53/484544853.db2.gz PIZHRGCPJQPKQO-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000583328030 484545329 /nfs/dbraw/zinc/54/53/29/484545329.db2.gz PIZHRGCPJQPKQO-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000583328031 484545622 /nfs/dbraw/zinc/54/56/22/484545622.db2.gz PIZHRGCPJQPKQO-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000583338292 483408662 /nfs/dbraw/zinc/40/86/62/483408662.db2.gz INWAMCBMTQFUIM-GPANFISMSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000583338293 483408798 /nfs/dbraw/zinc/40/87/98/483408798.db2.gz INWAMCBMTQFUIM-UYSNPLJNSA-N 2 1 353.511 -0.415 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C[C@H](C)O ZINC000583434994 483890940 /nfs/dbraw/zinc/89/09/40/483890940.db2.gz XMWMKQXLDMBXOX-FZKCQIBNSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C[C@H](C)O ZINC000583434994 483890939 /nfs/dbraw/zinc/89/09/39/483890939.db2.gz XMWMKQXLDMBXOX-FZKCQIBNSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C[C@@H](C)O ZINC000583434995 483891237 /nfs/dbraw/zinc/89/12/37/483891237.db2.gz XMWMKQXLDMBXOX-LVQVYYBASA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C[C@@H](C)O ZINC000583434995 483891236 /nfs/dbraw/zinc/89/12/36/483891236.db2.gz XMWMKQXLDMBXOX-LVQVYYBASA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C[C@@H](C)O ZINC000583434996 483891166 /nfs/dbraw/zinc/89/11/66/483891166.db2.gz XMWMKQXLDMBXOX-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C[C@@H](C)O ZINC000583434996 483891164 /nfs/dbraw/zinc/89/11/64/483891164.db2.gz XMWMKQXLDMBXOX-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C[C@H](C)O ZINC000583434997 483890914 /nfs/dbraw/zinc/89/09/14/483890914.db2.gz XMWMKQXLDMBXOX-XUWVNRHRSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C[C@H](C)O ZINC000583434997 483890911 /nfs/dbraw/zinc/89/09/11/483890911.db2.gz XMWMKQXLDMBXOX-XUWVNRHRSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439046 483891309 /nfs/dbraw/zinc/89/13/09/483891309.db2.gz ULJYPUUUTKRSSX-CVEARBPZSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439047 483891715 /nfs/dbraw/zinc/89/17/15/483891715.db2.gz ULJYPUUUTKRSSX-HOTGVXAUSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439048 483891693 /nfs/dbraw/zinc/89/16/93/483891693.db2.gz ULJYPUUUTKRSSX-HZPDHXFCSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439049 483891389 /nfs/dbraw/zinc/89/13/89/483891389.db2.gz ULJYPUUUTKRSSX-JKSUJKDBSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000583513522 484107965 /nfs/dbraw/zinc/10/79/65/484107965.db2.gz KLDHHDBVTBOSMV-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000583533212 484116196 /nfs/dbraw/zinc/11/61/96/484116196.db2.gz KIIXMLGZVISULL-UHFFFAOYSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640469 484267045 /nfs/dbraw/zinc/26/70/45/484267045.db2.gz LLUSUVVTOOJEGM-FZKCQIBNSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640470 484267708 /nfs/dbraw/zinc/26/77/08/484267708.db2.gz LLUSUVVTOOJEGM-UGUYLWEFSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640471 484267418 /nfs/dbraw/zinc/26/74/18/484267418.db2.gz LLUSUVVTOOJEGM-VGWMRTNUSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640472 484268251 /nfs/dbraw/zinc/26/82/51/484268251.db2.gz LLUSUVVTOOJEGM-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000583687397 484193998 /nfs/dbraw/zinc/19/39/98/484193998.db2.gz WBDINNCBSQWFNQ-INIZCTEOSA-N 3 1 355.527 -0.214 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000583687398 484194041 /nfs/dbraw/zinc/19/40/41/484194041.db2.gz WBDINNCBSQWFNQ-MRXNPFEDSA-N 3 1 355.527 -0.214 20 0 FBADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583687764 484193199 /nfs/dbraw/zinc/19/31/99/484193199.db2.gz SEXWYQCZGVFQQM-HNNXBMFYSA-N 2 1 365.478 -0.339 20 0 FBADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583687765 484194075 /nfs/dbraw/zinc/19/40/75/484194075.db2.gz SEXWYQCZGVFQQM-OAHLLOKOSA-N 2 1 365.478 -0.339 20 0 FBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000583698936 484469047 /nfs/dbraw/zinc/46/90/47/484469047.db2.gz VTOGQVJMVXQICT-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000583698937 484469517 /nfs/dbraw/zinc/46/95/17/484469517.db2.gz VTOGQVJMVXQICT-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000583798333 484557972 /nfs/dbraw/zinc/55/79/72/484557972.db2.gz FWSCMKHSTRMCQO-UHFFFAOYSA-N 3 1 353.511 -0.365 20 0 FBADMP C[NH+](C)Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000583811611 484565360 /nfs/dbraw/zinc/56/53/60/484565360.db2.gz LTUYJMMFGNITQY-UHFFFAOYSA-N 2 1 366.487 -0.192 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000583854853 484577006 /nfs/dbraw/zinc/57/70/06/484577006.db2.gz ACYQUTUDEHLSHI-UHFFFAOYSA-N 2 1 367.494 -0.342 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC[NH2+]CC2 ZINC000583929395 483402025 /nfs/dbraw/zinc/40/20/25/483402025.db2.gz HAEKJFNMUZKBBL-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC[NH2+]CC2 ZINC000583929396 483401859 /nfs/dbraw/zinc/40/18/59/483401859.db2.gz HAEKJFNMUZKBBL-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583960636 483415204 /nfs/dbraw/zinc/41/52/04/483415204.db2.gz NAOASFSFEXYBRJ-BFYDXBDKSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583960636 483415201 /nfs/dbraw/zinc/41/52/01/483415201.db2.gz NAOASFSFEXYBRJ-BFYDXBDKSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583960637 483414550 /nfs/dbraw/zinc/41/45/50/483414550.db2.gz NAOASFSFEXYBRJ-HLLBOEOZSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583960637 483414544 /nfs/dbraw/zinc/41/45/44/483414544.db2.gz NAOASFSFEXYBRJ-HLLBOEOZSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583960638 483414602 /nfs/dbraw/zinc/41/46/02/483414602.db2.gz NAOASFSFEXYBRJ-INMHGKMJSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583960638 483414598 /nfs/dbraw/zinc/41/45/98/483414598.db2.gz NAOASFSFEXYBRJ-INMHGKMJSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583960639 483415237 /nfs/dbraw/zinc/41/52/37/483415237.db2.gz NAOASFSFEXYBRJ-VYDXJSESSA-N 2 1 364.490 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583960639 483415232 /nfs/dbraw/zinc/41/52/32/483415232.db2.gz NAOASFSFEXYBRJ-VYDXJSESSA-N 2 1 364.490 -0.234 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007966 483476289 /nfs/dbraw/zinc/47/62/89/483476289.db2.gz VZKMXVWVQFJPBM-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007967 483476935 /nfs/dbraw/zinc/47/69/35/483476935.db2.gz VZKMXVWVQFJPBM-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584012375 483477982 /nfs/dbraw/zinc/47/79/82/483477982.db2.gz PGDOSFVKTPJFQI-KRWDZBQOSA-N 2 1 365.522 -0.317 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584012376 483477865 /nfs/dbraw/zinc/47/78/65/483477865.db2.gz PGDOSFVKTPJFQI-QGZVFWFLSA-N 2 1 365.522 -0.317 20 0 FBADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CCC([NH+]4CCNCC4)CC3)CCN2C1=O ZINC000584064462 483582408 /nfs/dbraw/zinc/58/24/08/483582408.db2.gz CUNGXTCXMVMNRE-CKUJCDMFSA-N 2 1 364.494 -0.844 20 0 FBADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CCC([NH+]4CCNCC4)CC3)CCN2C1=O ZINC000584064463 483582339 /nfs/dbraw/zinc/58/23/39/483582339.db2.gz CUNGXTCXMVMNRE-FJBKBRRZSA-N 2 1 364.494 -0.844 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CCC([NH+]4CCNCC4)CC3)CCN2C1=O ZINC000584064464 483581800 /nfs/dbraw/zinc/58/18/00/483581800.db2.gz CUNGXTCXMVMNRE-QDIHITRGSA-N 2 1 364.494 -0.844 20 0 FBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CCC([NH+]4CCNCC4)CC3)CCN2C1=O ZINC000584064465 483582252 /nfs/dbraw/zinc/58/22/52/483582252.db2.gz CUNGXTCXMVMNRE-SSHXOBKSSA-N 2 1 364.494 -0.844 20 0 FBADMP C[NH+](C[C@@H](O)CN1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000584141792 483699888 /nfs/dbraw/zinc/69/98/88/483699888.db2.gz PPGOBSAZXIDUCA-KDURUIRLSA-N 2 1 354.539 -0.096 20 0 FBADMP C[NH+](C[C@@H](O)CN1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000584141792 483699886 /nfs/dbraw/zinc/69/98/86/483699886.db2.gz PPGOBSAZXIDUCA-KDURUIRLSA-N 2 1 354.539 -0.096 20 0 FBADMP C[NH+](C[C@H](O)CN1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000584141792 483699884 /nfs/dbraw/zinc/69/98/84/483699884.db2.gz PPGOBSAZXIDUCA-KDURUIRLSA-N 2 1 354.539 -0.096 20 0 FBADMP C[NH+](C[C@H](O)CN1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000584141793 483700115 /nfs/dbraw/zinc/70/01/15/483700115.db2.gz PPGOBSAZXIDUCA-OALUTQOASA-N 2 1 354.539 -0.096 20 0 FBADMP C[NH+](C[C@@H](O)CN1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000584141794 483699858 /nfs/dbraw/zinc/69/98/58/483699858.db2.gz PPGOBSAZXIDUCA-RTBURBONSA-N 2 1 354.539 -0.096 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000584306038 483836288 /nfs/dbraw/zinc/83/62/88/483836288.db2.gz PTPFFUZGGMWFGC-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CCOCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000584306039 483836614 /nfs/dbraw/zinc/83/66/14/483836614.db2.gz PTPFFUZGGMWFGC-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000584322975 484396827 /nfs/dbraw/zinc/39/68/27/484396827.db2.gz RAZWAJUYOCGANN-AWEZNQCLSA-N 2 1 359.496 -0.136 20 0 FBADMP CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000584322975 484396823 /nfs/dbraw/zinc/39/68/23/484396823.db2.gz RAZWAJUYOCGANN-AWEZNQCLSA-N 2 1 359.496 -0.136 20 0 FBADMP CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000584322976 484397154 /nfs/dbraw/zinc/39/71/54/484397154.db2.gz RAZWAJUYOCGANN-CQSZACIVSA-N 2 1 359.496 -0.136 20 0 FBADMP CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000584322976 484397148 /nfs/dbraw/zinc/39/71/48/484397148.db2.gz RAZWAJUYOCGANN-CQSZACIVSA-N 2 1 359.496 -0.136 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332878 483439013 /nfs/dbraw/zinc/43/90/13/483439013.db2.gz OVTROEZWVSAPDO-DZUCGIPZSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332878 483439009 /nfs/dbraw/zinc/43/90/09/483439009.db2.gz OVTROEZWVSAPDO-DZUCGIPZSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332878 483439005 /nfs/dbraw/zinc/43/90/05/483439005.db2.gz OVTROEZWVSAPDO-DZUCGIPZSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332879 483438965 /nfs/dbraw/zinc/43/89/65/483438965.db2.gz OVTROEZWVSAPDO-PQEBFOHHSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332879 483438962 /nfs/dbraw/zinc/43/89/62/483438962.db2.gz OVTROEZWVSAPDO-PQEBFOHHSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332879 483438956 /nfs/dbraw/zinc/43/89/56/483438956.db2.gz OVTROEZWVSAPDO-PQEBFOHHSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332880 483438284 /nfs/dbraw/zinc/43/82/84/483438284.db2.gz OVTROEZWVSAPDO-QSPRXWTASA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332880 483438278 /nfs/dbraw/zinc/43/82/78/483438278.db2.gz OVTROEZWVSAPDO-QSPRXWTASA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332880 483438274 /nfs/dbraw/zinc/43/82/74/483438274.db2.gz OVTROEZWVSAPDO-QSPRXWTASA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332881 483438757 /nfs/dbraw/zinc/43/87/57/483438757.db2.gz OVTROEZWVSAPDO-XBVQOTNRSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332881 483438752 /nfs/dbraw/zinc/43/87/52/483438752.db2.gz OVTROEZWVSAPDO-XBVQOTNRSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332881 483438743 /nfs/dbraw/zinc/43/87/43/483438743.db2.gz OVTROEZWVSAPDO-XBVQOTNRSA-N 2 1 370.453 -0.030 20 0 FBADMP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000584350053 484282547 /nfs/dbraw/zinc/28/25/47/484282547.db2.gz KGOJPMHUFNKENN-BBRMVZONSA-N 2 1 366.487 -0.232 20 0 FBADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000584350054 484283320 /nfs/dbraw/zinc/28/33/20/484283320.db2.gz KGOJPMHUFNKENN-CJNGLKHVSA-N 2 1 366.487 -0.232 20 0 FBADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000584350055 484282467 /nfs/dbraw/zinc/28/24/67/484282467.db2.gz KGOJPMHUFNKENN-CZUORRHYSA-N 2 1 366.487 -0.232 20 0 FBADMP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000584350056 484282934 /nfs/dbraw/zinc/28/29/34/484282934.db2.gz KGOJPMHUFNKENN-XJKSGUPXSA-N 2 1 366.487 -0.232 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584369122 484511968 /nfs/dbraw/zinc/51/19/68/484511968.db2.gz YIOVBICEMBTWOS-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584369123 484511588 /nfs/dbraw/zinc/51/15/88/484511588.db2.gz YIOVBICEMBTWOS-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584369124 484512343 /nfs/dbraw/zinc/51/23/43/484512343.db2.gz YIOVBICEMBTWOS-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584369125 484512126 /nfs/dbraw/zinc/51/21/26/484512126.db2.gz YIOVBICEMBTWOS-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)c1 ZINC000584396631 484545430 /nfs/dbraw/zinc/54/54/30/484545430.db2.gz FGXKHRXSYWENQE-GOEBONIOSA-N 2 1 373.457 -0.099 20 0 FBADMP CC(C)C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000584399559 484547170 /nfs/dbraw/zinc/54/71/70/484547170.db2.gz TYNUZLYLDZPKGP-HNNXBMFYSA-N 2 1 355.483 -0.536 20 0 FBADMP CC(C)C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000584399560 484546692 /nfs/dbraw/zinc/54/66/92/484546692.db2.gz TYNUZLYLDZPKGP-OAHLLOKOSA-N 2 1 355.483 -0.536 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000584420716 484549003 /nfs/dbraw/zinc/54/90/03/484549003.db2.gz RPRDQVDJGCLOII-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000584425014 484549137 /nfs/dbraw/zinc/54/91/37/484549137.db2.gz CJZKYTXIEATDQC-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000584425015 484548594 /nfs/dbraw/zinc/54/85/94/484548594.db2.gz CJZKYTXIEATDQC-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000584425016 484548757 /nfs/dbraw/zinc/54/87/57/484548757.db2.gz CJZKYTXIEATDQC-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000584425017 484548882 /nfs/dbraw/zinc/54/88/82/484548882.db2.gz CJZKYTXIEATDQC-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000584519101 484586597 /nfs/dbraw/zinc/58/65/97/484586597.db2.gz AUMWGVKZNPNXDQ-UHFFFAOYSA-N 2 1 373.523 -0.510 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)c(=O)n2C ZINC000584616296 484597953 /nfs/dbraw/zinc/59/79/53/484597953.db2.gz JLKPUVXDNBVTNM-GOSISDBHSA-N 2 1 360.462 -0.101 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)c(=O)n2C ZINC000584616299 484597978 /nfs/dbraw/zinc/59/79/78/484597978.db2.gz JLKPUVXDNBVTNM-SFHVURJKSA-N 2 1 360.462 -0.101 20 0 FBADMP CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000584720280 484605060 /nfs/dbraw/zinc/60/50/60/484605060.db2.gz GIJDNCCOXUQHES-IBGZPJMESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000584734734 484605423 /nfs/dbraw/zinc/60/54/23/484605423.db2.gz AWIWDPPRSKTXCV-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000584734735 484604963 /nfs/dbraw/zinc/60/49/63/484604963.db2.gz AWIWDPPRSKTXCV-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000584770154 484609043 /nfs/dbraw/zinc/60/90/43/484609043.db2.gz WWKOHQHJTXGFQP-NMWPEEMBSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000584770154 484609036 /nfs/dbraw/zinc/60/90/36/484609036.db2.gz WWKOHQHJTXGFQP-NMWPEEMBSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000584770155 484609649 /nfs/dbraw/zinc/60/96/49/484609649.db2.gz WWKOHQHJTXGFQP-TUVASFSCSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000584770156 484609129 /nfs/dbraw/zinc/60/91/29/484609129.db2.gz WWKOHQHJTXGFQP-ZQDZILKHSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584774803 484607667 /nfs/dbraw/zinc/60/76/67/484607667.db2.gz OGLYHVDKWXGMMS-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584774803 484607659 /nfs/dbraw/zinc/60/76/59/484607659.db2.gz OGLYHVDKWXGMMS-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584774807 484607982 /nfs/dbraw/zinc/60/79/82/484607982.db2.gz OGLYHVDKWXGMMS-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584774807 484607977 /nfs/dbraw/zinc/60/79/77/484607977.db2.gz OGLYHVDKWXGMMS-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000584782456 484607252 /nfs/dbraw/zinc/60/72/52/484607252.db2.gz WXCKGJSXPWYNRV-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000584782457 484607368 /nfs/dbraw/zinc/60/73/68/484607368.db2.gz WXCKGJSXPWYNRV-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000584782458 484608180 /nfs/dbraw/zinc/60/81/80/484608180.db2.gz WXCKGJSXPWYNRV-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000584782459 484607381 /nfs/dbraw/zinc/60/73/81/484607381.db2.gz WXCKGJSXPWYNRV-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000584785140 484609380 /nfs/dbraw/zinc/60/93/80/484609380.db2.gz MTBGFCILZXIBIO-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000584785140 484609374 /nfs/dbraw/zinc/60/93/74/484609374.db2.gz MTBGFCILZXIBIO-HNNXBMFYSA-N 2 1 367.494 -0.885 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000584785145 484608984 /nfs/dbraw/zinc/60/89/84/484608984.db2.gz MTBGFCILZXIBIO-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000584785145 484608979 /nfs/dbraw/zinc/60/89/79/484608979.db2.gz MTBGFCILZXIBIO-OAHLLOKOSA-N 2 1 367.494 -0.885 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584825133 484610803 /nfs/dbraw/zinc/61/08/03/484610803.db2.gz DAAOSIMFMSRHHR-KRWDZBQOSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584825142 484610411 /nfs/dbraw/zinc/61/04/11/484610411.db2.gz DAAOSIMFMSRHHR-QGZVFWFLSA-N 2 1 364.490 -0.136 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000584828832 484610383 /nfs/dbraw/zinc/61/03/83/484610383.db2.gz DWPGEVFNTHCFCR-CHWSQXEVSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000584828833 484610546 /nfs/dbraw/zinc/61/05/46/484610546.db2.gz DWPGEVFNTHCFCR-OLZOCXBDSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000584828834 484610139 /nfs/dbraw/zinc/61/01/39/484610139.db2.gz DWPGEVFNTHCFCR-QWHCGFSZSA-N 2 1 359.496 -0.867 20 0 FBADMP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000584828835 484610989 /nfs/dbraw/zinc/61/09/89/484610989.db2.gz DWPGEVFNTHCFCR-STQMWFEESA-N 2 1 359.496 -0.867 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000588968789 484065750 /nfs/dbraw/zinc/06/57/50/484065750.db2.gz BNNWYAWHSBWMEO-UHFFFAOYSA-N 2 1 369.510 -0.049 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000588972237 484065498 /nfs/dbraw/zinc/06/54/98/484065498.db2.gz XYYWTBPVTCWEPA-UHFFFAOYSA-N 2 1 369.510 -0.003 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000588982557 484142966 /nfs/dbraw/zinc/14/29/66/484142966.db2.gz NBVDASWJXQDQLX-UHFFFAOYSA-N 2 1 369.510 -0.240 20 0 FBADMP COCC[N@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000588982557 484142961 /nfs/dbraw/zinc/14/29/61/484142961.db2.gz NBVDASWJXQDQLX-UHFFFAOYSA-N 2 1 369.510 -0.240 20 0 FBADMP CC[N@@H+]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)[C@@H](C)C1 ZINC000589034555 484243211 /nfs/dbraw/zinc/24/32/11/484243211.db2.gz VALHWNILJRSPHQ-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034557 484242979 /nfs/dbraw/zinc/24/29/79/484242979.db2.gz VALHWNILJRSPHQ-BRWVUGGUSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034558 484243563 /nfs/dbraw/zinc/24/35/63/484243563.db2.gz VALHWNILJRSPHQ-GVDBMIGSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034560 484243985 /nfs/dbraw/zinc/24/39/85/484243985.db2.gz VALHWNILJRSPHQ-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315287 483451985 /nfs/dbraw/zinc/45/19/85/483451985.db2.gz OPQQVHYHQWDTNS-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315287 483451982 /nfs/dbraw/zinc/45/19/82/483451982.db2.gz OPQQVHYHQWDTNS-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315294 483451959 /nfs/dbraw/zinc/45/19/59/483451959.db2.gz OPQQVHYHQWDTNS-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315294 483451956 /nfs/dbraw/zinc/45/19/56/483451956.db2.gz OPQQVHYHQWDTNS-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315295 483450958 /nfs/dbraw/zinc/45/09/58/483450958.db2.gz OPQQVHYHQWDTNS-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315295 483450954 /nfs/dbraw/zinc/45/09/54/483450954.db2.gz OPQQVHYHQWDTNS-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315296 483451604 /nfs/dbraw/zinc/45/16/04/483451604.db2.gz OPQQVHYHQWDTNS-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000590315296 483451597 /nfs/dbraw/zinc/45/15/97/483451597.db2.gz OPQQVHYHQWDTNS-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000590790883 483592349 /nfs/dbraw/zinc/59/23/49/483592349.db2.gz CLYPCVVDWDKTJA-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000590790884 483591758 /nfs/dbraw/zinc/59/17/58/483591758.db2.gz CLYPCVVDWDKTJA-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)CN(CCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592191842 483657388 /nfs/dbraw/zinc/65/73/88/483657388.db2.gz ADGKAPNAUWALAD-KBXIAJHMSA-N 2 1 358.435 -0.912 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCN2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592191844 483657664 /nfs/dbraw/zinc/65/76/64/483657664.db2.gz ADGKAPNAUWALAD-PYHGIMPFSA-N 2 1 358.435 -0.912 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCCN2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592191845 483656315 /nfs/dbraw/zinc/65/63/15/483656315.db2.gz ADGKAPNAUWALAD-TUVASFSCSA-N 2 1 358.435 -0.912 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCN2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592191846 483657527 /nfs/dbraw/zinc/65/75/27/483657527.db2.gz ADGKAPNAUWALAD-XGUBFFRZSA-N 2 1 358.435 -0.912 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](C)CN2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592193967 483656827 /nfs/dbraw/zinc/65/68/27/483656827.db2.gz GEYNYFCXJTWAHY-DGXTUMSLSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](C)CN2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592193968 483656481 /nfs/dbraw/zinc/65/64/81/483656481.db2.gz GEYNYFCXJTWAHY-PWFLSRTFSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](C)CN2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592193969 483657118 /nfs/dbraw/zinc/65/71/18/483657118.db2.gz GEYNYFCXJTWAHY-QMHWVQJVSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CC(C)C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592193970 483656622 /nfs/dbraw/zinc/65/66/22/483656622.db2.gz GEYNYFCXJTWAHY-WCVJEAGWSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CC(C)C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592193970 483656616 /nfs/dbraw/zinc/65/66/16/483656616.db2.gz GEYNYFCXJTWAHY-WCVJEAGWSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)CN(CC(C)C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592193970 483656613 /nfs/dbraw/zinc/65/66/13/483656613.db2.gz GEYNYFCXJTWAHY-WCVJEAGWSA-N 2 1 372.462 -0.666 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C)CC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592197324 483657342 /nfs/dbraw/zinc/65/73/42/483657342.db2.gz PHMWHHBEIBPOAM-CQJMVSDSSA-N 2 1 372.462 -0.523 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)CN([C@@H](C)CC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592197325 483657611 /nfs/dbraw/zinc/65/76/11/483657611.db2.gz PHMWHHBEIBPOAM-OTJKEOIZSA-N 2 1 372.462 -0.523 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC[C@H](C)N2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592197326 483657031 /nfs/dbraw/zinc/65/70/31/483657031.db2.gz PHMWHHBEIBPOAM-QRJUGERDSA-N 2 1 372.462 -0.523 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC[C@H](C)N2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592197327 483657185 /nfs/dbraw/zinc/65/71/85/483657185.db2.gz PHMWHHBEIBPOAM-XFIYOXNOSA-N 2 1 372.462 -0.523 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCCC[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204412 483659012 /nfs/dbraw/zinc/65/90/12/483659012.db2.gz ITJBARNMKZDGJE-FPCVCCKLSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCCC[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204412 483659008 /nfs/dbraw/zinc/65/90/08/483659008.db2.gz ITJBARNMKZDGJE-FPCVCCKLSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[NH+](CCCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204412 483659004 /nfs/dbraw/zinc/65/90/04/483659004.db2.gz ITJBARNMKZDGJE-FPCVCCKLSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCC[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204426 483658173 /nfs/dbraw/zinc/65/81/73/483658173.db2.gz ITJBARNMKZDGJE-FZKCQIBNSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCC[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204426 483658171 /nfs/dbraw/zinc/65/81/71/483658171.db2.gz ITJBARNMKZDGJE-FZKCQIBNSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204426 483658167 /nfs/dbraw/zinc/65/81/67/483658167.db2.gz ITJBARNMKZDGJE-FZKCQIBNSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCC[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204428 483659120 /nfs/dbraw/zinc/65/91/20/483659120.db2.gz ITJBARNMKZDGJE-SYMSYNOKSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCC[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204428 483659117 /nfs/dbraw/zinc/65/91/17/483659117.db2.gz ITJBARNMKZDGJE-SYMSYNOKSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204428 483659113 /nfs/dbraw/zinc/65/91/13/483659113.db2.gz ITJBARNMKZDGJE-SYMSYNOKSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204431 483658940 /nfs/dbraw/zinc/65/89/40/483658940.db2.gz ITJBARNMKZDGJE-WCVJEAGWSA-N 2 1 372.462 -0.522 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C/C=C\C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208103 483658490 /nfs/dbraw/zinc/65/84/90/483658490.db2.gz RWJPLSBDVRZCCY-KATZGCASSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C/C=C\C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208103 483658487 /nfs/dbraw/zinc/65/84/87/483658487.db2.gz RWJPLSBDVRZCCY-KATZGCASSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C/C=C\C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208103 483658482 /nfs/dbraw/zinc/65/84/82/483658482.db2.gz RWJPLSBDVRZCCY-KATZGCASSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C=C/C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208104 483659029 /nfs/dbraw/zinc/65/90/29/483659029.db2.gz RWJPLSBDVRZCCY-RWGICRFRSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C=C/C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208104 483659026 /nfs/dbraw/zinc/65/90/26/483659026.db2.gz RWJPLSBDVRZCCY-RWGICRFRSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](C/C=C/C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208104 483659022 /nfs/dbraw/zinc/65/90/22/483659022.db2.gz RWJPLSBDVRZCCY-RWGICRFRSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C/C=C/C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208105 483657955 /nfs/dbraw/zinc/65/79/55/483657955.db2.gz RWJPLSBDVRZCCY-VCFYFLBXSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C/C=C/C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208105 483657951 /nfs/dbraw/zinc/65/79/51/483657951.db2.gz RWJPLSBDVRZCCY-VCFYFLBXSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C/C=C/C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208105 483657948 /nfs/dbraw/zinc/65/79/48/483657948.db2.gz RWJPLSBDVRZCCY-VCFYFLBXSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C=C\C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208106 483658787 /nfs/dbraw/zinc/65/87/87/483658787.db2.gz RWJPLSBDVRZCCY-XZBYNNTFSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C=C\C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208106 483658784 /nfs/dbraw/zinc/65/87/84/483658784.db2.gz RWJPLSBDVRZCCY-XZBYNNTFSA-N 2 1 370.446 -0.746 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](C/C=C\C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208106 483658777 /nfs/dbraw/zinc/65/87/77/483658777.db2.gz RWJPLSBDVRZCCY-XZBYNNTFSA-N 2 1 370.446 -0.746 20 0 FBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000592317018 483662943 /nfs/dbraw/zinc/66/29/43/483662943.db2.gz UCCDNTJMAXMAGA-INIZCTEOSA-N 2 1 365.522 -0.365 20 0 FBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000592317018 483662941 /nfs/dbraw/zinc/66/29/41/483662941.db2.gz UCCDNTJMAXMAGA-INIZCTEOSA-N 2 1 365.522 -0.365 20 0 FBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000592317019 483663102 /nfs/dbraw/zinc/66/31/02/483663102.db2.gz UCCDNTJMAXMAGA-MRXNPFEDSA-N 2 1 365.522 -0.365 20 0 FBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000592317019 483663099 /nfs/dbraw/zinc/66/30/99/483663099.db2.gz UCCDNTJMAXMAGA-MRXNPFEDSA-N 2 1 365.522 -0.365 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000592471057 483669380 /nfs/dbraw/zinc/66/93/80/483669380.db2.gz MBESYWWNZQYPEL-AWEZNQCLSA-N 2 1 365.478 -0.101 20 0 FBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000592471061 483669064 /nfs/dbraw/zinc/66/90/64/483669064.db2.gz MBESYWWNZQYPEL-CQSZACIVSA-N 2 1 365.478 -0.101 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000592472276 483669198 /nfs/dbraw/zinc/66/91/98/483669198.db2.gz RWMFJPGXBJQCLN-UHFFFAOYSA-N 2 1 363.418 -0.100 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000592472276 483669196 /nfs/dbraw/zinc/66/91/96/483669196.db2.gz RWMFJPGXBJQCLN-UHFFFAOYSA-N 2 1 363.418 -0.100 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592479420 483669016 /nfs/dbraw/zinc/66/90/16/483669016.db2.gz XVSHXHVLSCGZFA-CABCVRRESA-N 2 1 368.478 -0.412 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592479421 483669090 /nfs/dbraw/zinc/66/90/90/483669090.db2.gz XVSHXHVLSCGZFA-GJZGRUSLSA-N 2 1 368.478 -0.412 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592479422 483669336 /nfs/dbraw/zinc/66/93/36/483669336.db2.gz XVSHXHVLSCGZFA-HUUCEWRRSA-N 2 1 368.478 -0.412 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592479423 483669006 /nfs/dbraw/zinc/66/90/06/483669006.db2.gz XVSHXHVLSCGZFA-LSDHHAIUSA-N 2 1 368.478 -0.412 20 0 FBADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)c21 ZINC000592543357 483669642 /nfs/dbraw/zinc/66/96/42/483669642.db2.gz SCVHFJDLFSVRPA-KBPBESRZSA-N 2 1 360.462 -0.244 20 0 FBADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)c21 ZINC000592543358 483669605 /nfs/dbraw/zinc/66/96/05/483669605.db2.gz SCVHFJDLFSVRPA-KGLIPLIRSA-N 2 1 360.462 -0.244 20 0 FBADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c21 ZINC000592543359 483669696 /nfs/dbraw/zinc/66/96/96/483669696.db2.gz SCVHFJDLFSVRPA-UONOGXRCSA-N 2 1 360.462 -0.244 20 0 FBADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c21 ZINC000592543360 483669577 /nfs/dbraw/zinc/66/95/77/483669577.db2.gz SCVHFJDLFSVRPA-ZIAGYGMSSA-N 2 1 360.462 -0.244 20 0 FBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824051 483673678 /nfs/dbraw/zinc/67/36/78/483673678.db2.gz REQPZVVSQFTLRA-HZPDHXFCSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824051 483673677 /nfs/dbraw/zinc/67/36/77/483673677.db2.gz REQPZVVSQFTLRA-HZPDHXFCSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824051 483673667 /nfs/dbraw/zinc/67/36/67/483673667.db2.gz REQPZVVSQFTLRA-HZPDHXFCSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824057 483673696 /nfs/dbraw/zinc/67/36/96/483673696.db2.gz REQPZVVSQFTLRA-JKSUJKDBSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824057 483673692 /nfs/dbraw/zinc/67/36/92/483673692.db2.gz REQPZVVSQFTLRA-JKSUJKDBSA-N 2 1 368.526 -0.491 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824057 483673685 /nfs/dbraw/zinc/67/36/85/483673685.db2.gz REQPZVVSQFTLRA-JKSUJKDBSA-N 2 1 368.526 -0.491 20 0 FBADMP COc1cc[nH+]c(N2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1 ZINC000592825418 483673274 /nfs/dbraw/zinc/67/32/74/483673274.db2.gz VCTCKZFAICTQNS-HNNXBMFYSA-N 2 1 361.446 -0.099 20 0 FBADMP COc1cc[nH+]c(N2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1 ZINC000592825419 483673760 /nfs/dbraw/zinc/67/37/60/483673760.db2.gz VCTCKZFAICTQNS-OAHLLOKOSA-N 2 1 361.446 -0.099 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592963812 483677921 /nfs/dbraw/zinc/67/79/21/483677921.db2.gz CHRZXZPNTAQYAN-AWEZNQCLSA-N 2 1 362.478 -0.045 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592963845 483677792 /nfs/dbraw/zinc/67/77/92/483677792.db2.gz CHRZXZPNTAQYAN-CQSZACIVSA-N 2 1 362.478 -0.045 20 0 FBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000592984932 483677699 /nfs/dbraw/zinc/67/76/99/483677699.db2.gz WVTZXLSTFUWPJR-CVEARBPZSA-N 2 1 370.494 -0.704 20 0 FBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000592984935 483678224 /nfs/dbraw/zinc/67/82/24/483678224.db2.gz WVTZXLSTFUWPJR-HOTGVXAUSA-N 2 1 370.494 -0.704 20 0 FBADMP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000592984937 483677770 /nfs/dbraw/zinc/67/77/70/483677770.db2.gz WVTZXLSTFUWPJR-HZPDHXFCSA-N 2 1 370.494 -0.704 20 0 FBADMP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000592984939 483678208 /nfs/dbraw/zinc/67/82/08/483678208.db2.gz WVTZXLSTFUWPJR-JKSUJKDBSA-N 2 1 370.494 -0.704 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594090799 483697904 /nfs/dbraw/zinc/69/79/04/483697904.db2.gz ZARVNNYHHWHPCP-INIZCTEOSA-N 2 1 368.526 -0.347 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594090800 483697752 /nfs/dbraw/zinc/69/77/52/483697752.db2.gz ZARVNNYHHWHPCP-MRXNPFEDSA-N 2 1 368.526 -0.347 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000594104006 483698126 /nfs/dbraw/zinc/69/81/26/483698126.db2.gz SAPNRBBORKQHGC-HNNXBMFYSA-N 2 1 355.483 -0.262 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000594104007 483697741 /nfs/dbraw/zinc/69/77/41/483697741.db2.gz SAPNRBBORKQHGC-OAHLLOKOSA-N 2 1 355.483 -0.262 20 0 FBADMP C[NH+]1CCC[C@@H](CNC(=O)COCC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000594695143 483709232 /nfs/dbraw/zinc/70/92/32/483709232.db2.gz HANCIHRCZLQGBF-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CCC[C@H](CNC(=O)COCC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000594695144 483709219 /nfs/dbraw/zinc/70/92/19/483709219.db2.gz HANCIHRCZLQGBF-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CCC[C@H](CNC(=O)COCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000594695145 483709386 /nfs/dbraw/zinc/70/93/86/483709386.db2.gz HANCIHRCZLQGBF-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CCC[C@H](CNC(=O)COCC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000594695145 483709381 /nfs/dbraw/zinc/70/93/81/483709381.db2.gz HANCIHRCZLQGBF-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CCC[C@@H](CNC(=O)COCC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000594695145 483709377 /nfs/dbraw/zinc/70/93/77/483709377.db2.gz HANCIHRCZLQGBF-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875245 483715063 /nfs/dbraw/zinc/71/50/63/483715063.db2.gz FOAAOZDUDSTHLL-CABCVRRESA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875245 483715061 /nfs/dbraw/zinc/71/50/61/483715061.db2.gz FOAAOZDUDSTHLL-CABCVRRESA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875246 483715164 /nfs/dbraw/zinc/71/51/64/483715164.db2.gz FOAAOZDUDSTHLL-GJZGRUSLSA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875246 483715163 /nfs/dbraw/zinc/71/51/63/483715163.db2.gz FOAAOZDUDSTHLL-GJZGRUSLSA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875247 483715114 /nfs/dbraw/zinc/71/51/14/483715114.db2.gz FOAAOZDUDSTHLL-HUUCEWRRSA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875247 483715112 /nfs/dbraw/zinc/71/51/12/483715112.db2.gz FOAAOZDUDSTHLL-HUUCEWRRSA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875248 483715132 /nfs/dbraw/zinc/71/51/32/483715132.db2.gz FOAAOZDUDSTHLL-LSDHHAIUSA-N 2 1 359.430 -0.354 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CCN2C1=O ZINC000594875248 483715131 /nfs/dbraw/zinc/71/51/31/483715131.db2.gz FOAAOZDUDSTHLL-LSDHHAIUSA-N 2 1 359.430 -0.354 20 0 FBADMP CCN(C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000595202668 483723397 /nfs/dbraw/zinc/72/33/97/483723397.db2.gz NCMAMTKHSOTFFF-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000595202695 483723298 /nfs/dbraw/zinc/72/32/98/483723298.db2.gz NCMAMTKHSOTFFF-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000595202696 483723510 /nfs/dbraw/zinc/72/35/10/483723510.db2.gz NCMAMTKHSOTFFF-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000595202697 483723463 /nfs/dbraw/zinc/72/34/63/483723463.db2.gz NCMAMTKHSOTFFF-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266589 483727487 /nfs/dbraw/zinc/72/74/87/483727487.db2.gz XLSDVXBVZJOLBG-BPUTZDHNSA-N 2 1 364.494 -0.892 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266589 483727484 /nfs/dbraw/zinc/72/74/84/483727484.db2.gz XLSDVXBVZJOLBG-BPUTZDHNSA-N 2 1 364.494 -0.892 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266591 483727663 /nfs/dbraw/zinc/72/76/63/483727663.db2.gz XLSDVXBVZJOLBG-CWRNSKLLSA-N 2 1 364.494 -0.892 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266591 483727661 /nfs/dbraw/zinc/72/76/61/483727661.db2.gz XLSDVXBVZJOLBG-CWRNSKLLSA-N 2 1 364.494 -0.892 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266592 483728014 /nfs/dbraw/zinc/72/80/14/483728014.db2.gz XLSDVXBVZJOLBG-IMJJTQAJSA-N 2 1 364.494 -0.892 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266592 483728011 /nfs/dbraw/zinc/72/80/11/483728011.db2.gz XLSDVXBVZJOLBG-IMJJTQAJSA-N 2 1 364.494 -0.892 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266593 483727652 /nfs/dbraw/zinc/72/76/52/483727652.db2.gz XLSDVXBVZJOLBG-NUEKZKHPSA-N 2 1 364.494 -0.892 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266593 483727650 /nfs/dbraw/zinc/72/76/50/483727650.db2.gz XLSDVXBVZJOLBG-NUEKZKHPSA-N 2 1 364.494 -0.892 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271173 483725238 /nfs/dbraw/zinc/72/52/38/483725238.db2.gz IONIEBJRMMWIKB-MRLBHPIUSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271173 483725235 /nfs/dbraw/zinc/72/52/35/483725235.db2.gz IONIEBJRMMWIKB-MRLBHPIUSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271174 483724926 /nfs/dbraw/zinc/72/49/26/483724926.db2.gz IONIEBJRMMWIKB-NIFZNCRKSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271174 483724924 /nfs/dbraw/zinc/72/49/24/483724924.db2.gz IONIEBJRMMWIKB-NIFZNCRKSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271175 483725011 /nfs/dbraw/zinc/72/50/11/483725011.db2.gz IONIEBJRMMWIKB-QMIVOQANSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271175 483725009 /nfs/dbraw/zinc/72/50/09/483725009.db2.gz IONIEBJRMMWIKB-QMIVOQANSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271177 483724981 /nfs/dbraw/zinc/72/49/81/483724981.db2.gz IONIEBJRMMWIKB-UXXRCYHCSA-N 2 1 353.467 -0.563 20 0 FBADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595271177 483724980 /nfs/dbraw/zinc/72/49/80/483724980.db2.gz IONIEBJRMMWIKB-UXXRCYHCSA-N 2 1 353.467 -0.563 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000595275109 483725801 /nfs/dbraw/zinc/72/58/01/483725801.db2.gz GZCPRRNMTPCENY-LLVKDONJSA-N 2 1 366.422 -0.580 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000595275109 483725800 /nfs/dbraw/zinc/72/58/00/483725800.db2.gz GZCPRRNMTPCENY-LLVKDONJSA-N 2 1 366.422 -0.580 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000595275110 483725572 /nfs/dbraw/zinc/72/55/72/483725572.db2.gz GZCPRRNMTPCENY-NSHDSACASA-N 2 1 366.422 -0.580 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000595275110 483725571 /nfs/dbraw/zinc/72/55/71/483725571.db2.gz GZCPRRNMTPCENY-NSHDSACASA-N 2 1 366.422 -0.580 20 0 FBADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310786 483728658 /nfs/dbraw/zinc/72/86/58/483728658.db2.gz FMZRVJMVTHAWHH-CVEARBPZSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310788 483728562 /nfs/dbraw/zinc/72/85/62/483728562.db2.gz FMZRVJMVTHAWHH-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310790 483728462 /nfs/dbraw/zinc/72/84/62/483728462.db2.gz FMZRVJMVTHAWHH-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310792 483728996 /nfs/dbraw/zinc/72/89/96/483728996.db2.gz FMZRVJMVTHAWHH-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595668214 483736984 /nfs/dbraw/zinc/73/69/84/483736984.db2.gz RTJBMZHLURHPFN-IJEWVQPXSA-N 2 1 357.451 -0.621 20 0 FBADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595668215 483737040 /nfs/dbraw/zinc/73/70/40/483737040.db2.gz RTJBMZHLURHPFN-OFQRWUPVSA-N 2 1 357.451 -0.621 20 0 FBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886926 483739554 /nfs/dbraw/zinc/73/95/54/483739554.db2.gz AUMRVZWKOYNOGO-KBPBESRZSA-N 2 1 354.451 -0.673 20 0 FBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886927 483739734 /nfs/dbraw/zinc/73/97/34/483739734.db2.gz AUMRVZWKOYNOGO-KGLIPLIRSA-N 2 1 354.451 -0.673 20 0 FBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886931 483739673 /nfs/dbraw/zinc/73/96/73/483739673.db2.gz AUMRVZWKOYNOGO-UONOGXRCSA-N 2 1 354.451 -0.673 20 0 FBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886933 483739295 /nfs/dbraw/zinc/73/92/95/483739295.db2.gz AUMRVZWKOYNOGO-ZIAGYGMSSA-N 2 1 354.451 -0.673 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892597 483739597 /nfs/dbraw/zinc/73/95/97/483739597.db2.gz NILUKVCEIVVVFL-KBPBESRZSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892597 483739594 /nfs/dbraw/zinc/73/95/94/483739594.db2.gz NILUKVCEIVVVFL-KBPBESRZSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892598 483739330 /nfs/dbraw/zinc/73/93/30/483739330.db2.gz NILUKVCEIVVVFL-KGLIPLIRSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892598 483739328 /nfs/dbraw/zinc/73/93/28/483739328.db2.gz NILUKVCEIVVVFL-KGLIPLIRSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892599 483740090 /nfs/dbraw/zinc/74/00/90/483740090.db2.gz NILUKVCEIVVVFL-UONOGXRCSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892599 483740086 /nfs/dbraw/zinc/74/00/86/483740086.db2.gz NILUKVCEIVVVFL-UONOGXRCSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892600 483740190 /nfs/dbraw/zinc/74/01/90/483740190.db2.gz NILUKVCEIVVVFL-ZIAGYGMSSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595892600 483740188 /nfs/dbraw/zinc/74/01/88/483740188.db2.gz NILUKVCEIVVVFL-ZIAGYGMSSA-N 2 1 350.423 -0.462 20 0 FBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893600 483740070 /nfs/dbraw/zinc/74/00/70/483740070.db2.gz SVRZLPMFYMYKEN-CABCVRRESA-N 2 1 364.450 -0.072 20 0 FBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893602 483739986 /nfs/dbraw/zinc/73/99/86/483739986.db2.gz SVRZLPMFYMYKEN-GJZGRUSLSA-N 2 1 364.450 -0.072 20 0 FBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893603 483740224 /nfs/dbraw/zinc/74/02/24/483740224.db2.gz SVRZLPMFYMYKEN-HUUCEWRRSA-N 2 1 364.450 -0.072 20 0 FBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893604 483739944 /nfs/dbraw/zinc/73/99/44/483739944.db2.gz SVRZLPMFYMYKEN-LSDHHAIUSA-N 2 1 364.450 -0.072 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894774 483740115 /nfs/dbraw/zinc/74/01/15/483740115.db2.gz XCTOOEZTIWGRGV-CABCVRRESA-N 2 1 366.462 -0.706 20 0 FBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894776 483739918 /nfs/dbraw/zinc/73/99/18/483739918.db2.gz XCTOOEZTIWGRGV-GJZGRUSLSA-N 2 1 366.462 -0.706 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894777 483740235 /nfs/dbraw/zinc/74/02/35/483740235.db2.gz XCTOOEZTIWGRGV-HUUCEWRRSA-N 2 1 366.462 -0.706 20 0 FBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894779 483740322 /nfs/dbraw/zinc/74/03/22/483740322.db2.gz XCTOOEZTIWGRGV-LSDHHAIUSA-N 2 1 366.462 -0.706 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1CCC[NH3+] ZINC000595905511 483740864 /nfs/dbraw/zinc/74/08/64/483740864.db2.gz UKWDQSCAQCDZFH-HZSPNIEDSA-N 2 1 374.507 -0.161 20 0 FBADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1CCC[NH3+] ZINC000595905511 483740862 /nfs/dbraw/zinc/74/08/62/483740862.db2.gz UKWDQSCAQCDZFH-HZSPNIEDSA-N 2 1 374.507 -0.161 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1CCC[NH3+] ZINC000595905512 483740635 /nfs/dbraw/zinc/74/06/35/483740635.db2.gz UKWDQSCAQCDZFH-MGPQQGTHSA-N 2 1 374.507 -0.161 20 0 FBADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1CCC[NH3+] ZINC000595905512 483740632 /nfs/dbraw/zinc/74/06/32/483740632.db2.gz UKWDQSCAQCDZFH-MGPQQGTHSA-N 2 1 374.507 -0.161 20 0 FBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910151 483740874 /nfs/dbraw/zinc/74/08/74/483740874.db2.gz HHKICVAHLGLJLT-CYBMUJFWSA-N 2 1 363.466 -0.156 20 0 FBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910158 483740807 /nfs/dbraw/zinc/74/08/07/483740807.db2.gz HHKICVAHLGLJLT-ZDUSSCGKSA-N 2 1 363.466 -0.156 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911924 483740711 /nfs/dbraw/zinc/74/07/11/483740711.db2.gz URLDVHBWYORMBW-CYBMUJFWSA-N 2 1 363.466 -0.156 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911924 483740707 /nfs/dbraw/zinc/74/07/07/483740707.db2.gz URLDVHBWYORMBW-CYBMUJFWSA-N 2 1 363.466 -0.156 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911925 483740590 /nfs/dbraw/zinc/74/05/90/483740590.db2.gz URLDVHBWYORMBW-ZDUSSCGKSA-N 2 1 363.466 -0.156 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911925 483740587 /nfs/dbraw/zinc/74/05/87/483740587.db2.gz URLDVHBWYORMBW-ZDUSSCGKSA-N 2 1 363.466 -0.156 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912248 483740790 /nfs/dbraw/zinc/74/07/90/483740790.db2.gz XPBPZLFNRPAFFH-CHWSQXEVSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912248 483740788 /nfs/dbraw/zinc/74/07/88/483740788.db2.gz XPBPZLFNRPAFFH-CHWSQXEVSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912249 483740886 /nfs/dbraw/zinc/74/08/86/483740886.db2.gz XPBPZLFNRPAFFH-OLZOCXBDSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912249 483740883 /nfs/dbraw/zinc/74/08/83/483740883.db2.gz XPBPZLFNRPAFFH-OLZOCXBDSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912250 483740764 /nfs/dbraw/zinc/74/07/64/483740764.db2.gz XPBPZLFNRPAFFH-QWHCGFSZSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912250 483740762 /nfs/dbraw/zinc/74/07/62/483740762.db2.gz XPBPZLFNRPAFFH-QWHCGFSZSA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912251 483740831 /nfs/dbraw/zinc/74/08/31/483740831.db2.gz XPBPZLFNRPAFFH-STQMWFEESA-N 2 1 363.466 -0.157 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595912251 483740830 /nfs/dbraw/zinc/74/08/30/483740830.db2.gz XPBPZLFNRPAFFH-STQMWFEESA-N 2 1 363.466 -0.157 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980774 483744472 /nfs/dbraw/zinc/74/44/72/483744472.db2.gz KEXGXHKLSSCRHN-KKUMJFAQSA-N 2 1 365.478 -0.910 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980775 483744494 /nfs/dbraw/zinc/74/44/94/483744494.db2.gz KEXGXHKLSSCRHN-RRFJBIMHSA-N 2 1 365.478 -0.910 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980776 483744434 /nfs/dbraw/zinc/74/44/34/483744434.db2.gz KEXGXHKLSSCRHN-SOUVJXGZSA-N 2 1 365.478 -0.910 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980777 483744524 /nfs/dbraw/zinc/74/45/24/483744524.db2.gz KEXGXHKLSSCRHN-ZNMIVQPWSA-N 2 1 365.478 -0.910 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595982010 483745060 /nfs/dbraw/zinc/74/50/60/483745060.db2.gz QPNLCVTURCFIEZ-BYNSBNAKSA-N 2 1 365.478 -0.912 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595982011 483745159 /nfs/dbraw/zinc/74/51/59/483745159.db2.gz QPNLCVTURCFIEZ-CBBWQLFWSA-N 2 1 365.478 -0.912 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595982012 483744916 /nfs/dbraw/zinc/74/49/16/483744916.db2.gz QPNLCVTURCFIEZ-LXTVHRRPSA-N 2 1 365.478 -0.912 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595982013 483745133 /nfs/dbraw/zinc/74/51/33/483745133.db2.gz QPNLCVTURCFIEZ-ZQDZILKHSA-N 2 1 365.478 -0.912 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982052 483744786 /nfs/dbraw/zinc/74/47/86/483744786.db2.gz RSBLRIXJKQHZRZ-KBPBESRZSA-N 2 1 365.478 -0.910 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982053 483744973 /nfs/dbraw/zinc/74/49/73/483744973.db2.gz RSBLRIXJKQHZRZ-KGLIPLIRSA-N 2 1 365.478 -0.910 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982055 483744996 /nfs/dbraw/zinc/74/49/96/483744996.db2.gz RSBLRIXJKQHZRZ-UONOGXRCSA-N 2 1 365.478 -0.910 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982057 483745087 /nfs/dbraw/zinc/74/50/87/483745087.db2.gz RSBLRIXJKQHZRZ-ZIAGYGMSSA-N 2 1 365.478 -0.910 20 0 FBADMP COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596688610 483754003 /nfs/dbraw/zinc/75/40/03/483754003.db2.gz DUUWTJXKHWJANF-KKUMJFAQSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000596688610 483754000 /nfs/dbraw/zinc/75/40/00/483754000.db2.gz DUUWTJXKHWJANF-KKUMJFAQSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596688615 483754365 /nfs/dbraw/zinc/75/43/65/483754365.db2.gz DUUWTJXKHWJANF-RRFJBIMHSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000596688615 483754362 /nfs/dbraw/zinc/75/43/62/483754362.db2.gz DUUWTJXKHWJANF-RRFJBIMHSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596688618 483754153 /nfs/dbraw/zinc/75/41/53/483754153.db2.gz DUUWTJXKHWJANF-SOUVJXGZSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000596688618 483754150 /nfs/dbraw/zinc/75/41/50/483754150.db2.gz DUUWTJXKHWJANF-SOUVJXGZSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596688621 483753934 /nfs/dbraw/zinc/75/39/34/483753934.db2.gz DUUWTJXKHWJANF-ZNMIVQPWSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000596688621 483753932 /nfs/dbraw/zinc/75/39/32/483753932.db2.gz DUUWTJXKHWJANF-ZNMIVQPWSA-N 2 1 358.483 -0.176 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+](C)C1 ZINC000596887257 483755771 /nfs/dbraw/zinc/75/57/71/483755771.db2.gz GELROWRWFPERLR-GDBMZVCRSA-N 2 1 368.478 -0.014 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+](C)C1 ZINC000596887258 483755907 /nfs/dbraw/zinc/75/59/07/483755907.db2.gz GELROWRWFPERLR-GOEBONIOSA-N 2 1 368.478 -0.014 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+](C)C1 ZINC000596887259 483756079 /nfs/dbraw/zinc/75/60/79/483756079.db2.gz GELROWRWFPERLR-HOCLYGCPSA-N 2 1 368.478 -0.014 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+](C)C1 ZINC000596887260 483755941 /nfs/dbraw/zinc/75/59/41/483755941.db2.gz GELROWRWFPERLR-ZBFHGGJFSA-N 2 1 368.478 -0.014 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402411 483764534 /nfs/dbraw/zinc/76/45/34/483764534.db2.gz SWYMBROVRBYYLZ-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402412 483764320 /nfs/dbraw/zinc/76/43/20/483764320.db2.gz SWYMBROVRBYYLZ-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402413 483764615 /nfs/dbraw/zinc/76/46/15/483764615.db2.gz SWYMBROVRBYYLZ-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402414 483764447 /nfs/dbraw/zinc/76/44/47/483764447.db2.gz SWYMBROVRBYYLZ-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP COC(=O)CCNC(=O)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000599009803 483794489 /nfs/dbraw/zinc/79/44/89/483794489.db2.gz ZLQJEMPOZHAMFF-UHFFFAOYSA-N 2 1 364.450 -0.613 20 0 FBADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600042502 483826207 /nfs/dbraw/zinc/82/62/07/483826207.db2.gz QCTIBAPBSALYOJ-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600042502 483826206 /nfs/dbraw/zinc/82/62/06/483826206.db2.gz QCTIBAPBSALYOJ-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600042503 483826212 /nfs/dbraw/zinc/82/62/12/483826212.db2.gz QCTIBAPBSALYOJ-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600042503 483826211 /nfs/dbraw/zinc/82/62/11/483826211.db2.gz QCTIBAPBSALYOJ-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600042504 483826163 /nfs/dbraw/zinc/82/61/63/483826163.db2.gz QCTIBAPBSALYOJ-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600042504 483826161 /nfs/dbraw/zinc/82/61/61/483826161.db2.gz QCTIBAPBSALYOJ-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600042505 483826064 /nfs/dbraw/zinc/82/60/64/483826064.db2.gz QCTIBAPBSALYOJ-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600042505 483826061 /nfs/dbraw/zinc/82/60/61/483826061.db2.gz QCTIBAPBSALYOJ-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000600052681 483825022 /nfs/dbraw/zinc/82/50/22/483825022.db2.gz HJQKPDLJCCTJGF-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000600052681 483825019 /nfs/dbraw/zinc/82/50/19/483825019.db2.gz HJQKPDLJCCTJGF-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000600052684 483825160 /nfs/dbraw/zinc/82/51/60/483825160.db2.gz HJQKPDLJCCTJGF-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000600052684 483825158 /nfs/dbraw/zinc/82/51/58/483825158.db2.gz HJQKPDLJCCTJGF-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600142730 483395490 /nfs/dbraw/zinc/39/54/90/483395490.db2.gz XXHOSFYGYDDIOK-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600142730 483395489 /nfs/dbraw/zinc/39/54/89/483395489.db2.gz XXHOSFYGYDDIOK-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600142731 483395178 /nfs/dbraw/zinc/39/51/78/483395178.db2.gz XXHOSFYGYDDIOK-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600142731 483395173 /nfs/dbraw/zinc/39/51/73/483395173.db2.gz XXHOSFYGYDDIOK-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600142732 483395276 /nfs/dbraw/zinc/39/52/76/483395276.db2.gz XXHOSFYGYDDIOK-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600142732 483395274 /nfs/dbraw/zinc/39/52/74/483395274.db2.gz XXHOSFYGYDDIOK-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600142734 483395526 /nfs/dbraw/zinc/39/55/26/483395526.db2.gz XXHOSFYGYDDIOK-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000600142734 483395523 /nfs/dbraw/zinc/39/55/23/483395523.db2.gz XXHOSFYGYDDIOK-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000601048092 484104182 /nfs/dbraw/zinc/10/41/82/484104182.db2.gz FWMPXQQJIXLGNR-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000601048092 484104173 /nfs/dbraw/zinc/10/41/73/484104173.db2.gz FWMPXQQJIXLGNR-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048092 484104165 /nfs/dbraw/zinc/10/41/65/484104165.db2.gz FWMPXQQJIXLGNR-BBWFWOEESA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000601048093 484103700 /nfs/dbraw/zinc/10/37/00/484103700.db2.gz FWMPXQQJIXLGNR-BRWVUGGUSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000601048093 484103693 /nfs/dbraw/zinc/10/36/93/484103693.db2.gz FWMPXQQJIXLGNR-BRWVUGGUSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048093 484103684 /nfs/dbraw/zinc/10/36/84/484103684.db2.gz FWMPXQQJIXLGNR-BRWVUGGUSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000601048094 484104551 /nfs/dbraw/zinc/10/45/51/484104551.db2.gz FWMPXQQJIXLGNR-GVDBMIGSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000601048094 484104546 /nfs/dbraw/zinc/10/45/46/484104546.db2.gz FWMPXQQJIXLGNR-GVDBMIGSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048094 484104539 /nfs/dbraw/zinc/10/45/39/484104539.db2.gz FWMPXQQJIXLGNR-GVDBMIGSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000601048095 484104780 /nfs/dbraw/zinc/10/47/80/484104780.db2.gz FWMPXQQJIXLGNR-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000601048095 484104775 /nfs/dbraw/zinc/10/47/75/484104775.db2.gz FWMPXQQJIXLGNR-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048095 484104773 /nfs/dbraw/zinc/10/47/73/484104773.db2.gz FWMPXQQJIXLGNR-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC[N@H+]1C ZINC000601546026 483830051 /nfs/dbraw/zinc/83/00/51/483830051.db2.gz KUSFJSNJJUOBRU-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000602445765 483840114 /nfs/dbraw/zinc/84/01/14/483840114.db2.gz BKZNPOMOOWYADK-UHFFFAOYSA-N 2 1 369.535 -0.015 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602474013 483840515 /nfs/dbraw/zinc/84/05/15/483840515.db2.gz NUGKQEJNPSMZDK-RUZDIDTESA-N 2 1 372.535 -0.500 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602474014 483840424 /nfs/dbraw/zinc/84/04/24/483840424.db2.gz NUGKQEJNPSMZDK-VWLOTQADSA-N 2 1 372.535 -0.500 20 0 FBADMP C[S@@](=O)C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000602474083 483840669 /nfs/dbraw/zinc/84/06/69/483840669.db2.gz QDHGAVADBUWOAO-RUZDIDTESA-N 2 1 370.519 -0.746 20 0 FBADMP C[S@](=O)C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000602474084 483840535 /nfs/dbraw/zinc/84/05/35/483840535.db2.gz QDHGAVADBUWOAO-VWLOTQADSA-N 2 1 370.519 -0.746 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(CSCC[NH3+])nn2)C1 ZINC000603186204 483847582 /nfs/dbraw/zinc/84/75/82/483847582.db2.gz PPUMFEBQHRIIPL-HNNXBMFYSA-N 2 1 370.523 -0.057 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(CSCC[NH3+])nn2)C1 ZINC000603186212 483847430 /nfs/dbraw/zinc/84/74/30/483847430.db2.gz PPUMFEBQHRIIPL-OAHLLOKOSA-N 2 1 370.523 -0.057 20 0 FBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000603302168 483849179 /nfs/dbraw/zinc/84/91/79/483849179.db2.gz FGUCFOOZUUEBBH-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000603302168 483849178 /nfs/dbraw/zinc/84/91/78/483849178.db2.gz FGUCFOOZUUEBBH-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000603302169 483849335 /nfs/dbraw/zinc/84/93/35/483849335.db2.gz FGUCFOOZUUEBBH-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000603302169 483849332 /nfs/dbraw/zinc/84/93/32/483849332.db2.gz FGUCFOOZUUEBBH-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302170 483849094 /nfs/dbraw/zinc/84/90/94/483849094.db2.gz FGUCFOOZUUEBBH-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302170 483849092 /nfs/dbraw/zinc/84/90/92/483849092.db2.gz FGUCFOOZUUEBBH-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302171 483849368 /nfs/dbraw/zinc/84/93/68/483849368.db2.gz FGUCFOOZUUEBBH-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302171 483849366 /nfs/dbraw/zinc/84/93/66/483849366.db2.gz FGUCFOOZUUEBBH-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000603815113 483856503 /nfs/dbraw/zinc/85/65/03/483856503.db2.gz XOZFYTZGRODRLW-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000603815114 483856362 /nfs/dbraw/zinc/85/63/62/483856362.db2.gz XOZFYTZGRODRLW-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000603815115 483856239 /nfs/dbraw/zinc/85/62/39/483856239.db2.gz XOZFYTZGRODRLW-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000603815116 483856311 /nfs/dbraw/zinc/85/63/11/483856311.db2.gz XOZFYTZGRODRLW-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCOC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604172113 483861481 /nfs/dbraw/zinc/86/14/81/483861481.db2.gz VPIRWASUWVCTAN-UHFFFAOYSA-N 2 1 369.510 -0.097 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604350338 483864750 /nfs/dbraw/zinc/86/47/50/483864750.db2.gz XMQMROMCIJWDAY-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CC(C)NC(=O)CN(C)CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604350339 483864876 /nfs/dbraw/zinc/86/48/76/483864876.db2.gz XMQMROMCIJWDAY-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604606435 483870298 /nfs/dbraw/zinc/87/02/98/483870298.db2.gz WPBVOTNPVGRMHZ-GOSISDBHSA-N 2 1 367.538 -0.463 20 0 FBADMP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604606436 483870342 /nfs/dbraw/zinc/87/03/42/483870342.db2.gz WPBVOTNPVGRMHZ-SFHVURJKSA-N 2 1 367.538 -0.463 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604648839 483871438 /nfs/dbraw/zinc/87/14/38/483871438.db2.gz XRGCRWSGOPFPKZ-INIZCTEOSA-N 2 1 350.467 -0.103 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604648839 483871436 /nfs/dbraw/zinc/87/14/36/483871436.db2.gz XRGCRWSGOPFPKZ-INIZCTEOSA-N 2 1 350.467 -0.103 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604648840 483871388 /nfs/dbraw/zinc/87/13/88/483871388.db2.gz XRGCRWSGOPFPKZ-MRXNPFEDSA-N 2 1 350.467 -0.103 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604648840 483871385 /nfs/dbraw/zinc/87/13/85/483871385.db2.gz XRGCRWSGOPFPKZ-MRXNPFEDSA-N 2 1 350.467 -0.103 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604651833 483871363 /nfs/dbraw/zinc/87/13/63/483871363.db2.gz RTDNSIZLRMVARU-DLBZAZTESA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604651833 483871360 /nfs/dbraw/zinc/87/13/60/483871360.db2.gz RTDNSIZLRMVARU-DLBZAZTESA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604651834 483871289 /nfs/dbraw/zinc/87/12/89/483871289.db2.gz RTDNSIZLRMVARU-IAGOWNOFSA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604651834 483871286 /nfs/dbraw/zinc/87/12/86/483871286.db2.gz RTDNSIZLRMVARU-IAGOWNOFSA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604651835 483871489 /nfs/dbraw/zinc/87/14/89/483871489.db2.gz RTDNSIZLRMVARU-IRXDYDNUSA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@H]1COCCN1CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604651835 483871486 /nfs/dbraw/zinc/87/14/86/483871486.db2.gz RTDNSIZLRMVARU-IRXDYDNUSA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604651836 483871256 /nfs/dbraw/zinc/87/12/56/483871256.db2.gz RTDNSIZLRMVARU-SJORKVTESA-N 2 1 369.510 -0.587 20 0 FBADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604651836 483871253 /nfs/dbraw/zinc/87/12/53/483871253.db2.gz RTDNSIZLRMVARU-SJORKVTESA-N 2 1 369.510 -0.587 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654361 483872308 /nfs/dbraw/zinc/87/23/08/483872308.db2.gz QDEQUETYEMREQO-DLBZAZTESA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604654361 483872306 /nfs/dbraw/zinc/87/23/06/483872306.db2.gz QDEQUETYEMREQO-DLBZAZTESA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604654361 483872303 /nfs/dbraw/zinc/87/23/03/483872303.db2.gz QDEQUETYEMREQO-DLBZAZTESA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654362 483872537 /nfs/dbraw/zinc/87/25/37/483872537.db2.gz QDEQUETYEMREQO-IAGOWNOFSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604654362 483872534 /nfs/dbraw/zinc/87/25/34/483872534.db2.gz QDEQUETYEMREQO-IAGOWNOFSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604654362 483872532 /nfs/dbraw/zinc/87/25/32/483872532.db2.gz QDEQUETYEMREQO-IAGOWNOFSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654363 483872262 /nfs/dbraw/zinc/87/22/62/483872262.db2.gz QDEQUETYEMREQO-IRXDYDNUSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604654363 483872260 /nfs/dbraw/zinc/87/22/60/483872260.db2.gz QDEQUETYEMREQO-IRXDYDNUSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604654363 483872258 /nfs/dbraw/zinc/87/22/58/483872258.db2.gz QDEQUETYEMREQO-IRXDYDNUSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654364 483872563 /nfs/dbraw/zinc/87/25/63/483872563.db2.gz QDEQUETYEMREQO-SJORKVTESA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604654364 483872561 /nfs/dbraw/zinc/87/25/61/483872561.db2.gz QDEQUETYEMREQO-SJORKVTESA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604654364 483872559 /nfs/dbraw/zinc/87/25/59/483872559.db2.gz QDEQUETYEMREQO-SJORKVTESA-N 2 1 352.527 -0.346 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655435 483871759 /nfs/dbraw/zinc/87/17/59/483871759.db2.gz ROJHKWPJEBEXKM-INIZCTEOSA-N 2 1 371.551 -0.259 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655435 483871757 /nfs/dbraw/zinc/87/17/57/483871757.db2.gz ROJHKWPJEBEXKM-INIZCTEOSA-N 2 1 371.551 -0.259 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655436 483871651 /nfs/dbraw/zinc/87/16/51/483871651.db2.gz ROJHKWPJEBEXKM-MRXNPFEDSA-N 2 1 371.551 -0.259 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655436 483871648 /nfs/dbraw/zinc/87/16/48/483871648.db2.gz ROJHKWPJEBEXKM-MRXNPFEDSA-N 2 1 371.551 -0.259 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604656079 483871967 /nfs/dbraw/zinc/87/19/67/483871967.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604656079 483871965 /nfs/dbraw/zinc/87/19/65/483871965.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000604656079 483871963 /nfs/dbraw/zinc/87/19/63/483871963.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604656080 483871903 /nfs/dbraw/zinc/87/19/03/483871903.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604656080 483871901 /nfs/dbraw/zinc/87/19/01/483871901.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604656080 483871898 /nfs/dbraw/zinc/87/18/98/483871898.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604656081 483872013 /nfs/dbraw/zinc/87/20/13/483872013.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604656081 483872011 /nfs/dbraw/zinc/87/20/11/483872011.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604656081 483872008 /nfs/dbraw/zinc/87/20/08/483872008.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604656082 483871870 /nfs/dbraw/zinc/87/18/70/483871870.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604656082 483871868 /nfs/dbraw/zinc/87/18/68/483871868.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604656082 483871866 /nfs/dbraw/zinc/87/18/66/483871866.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604667754 483872433 /nfs/dbraw/zinc/87/24/33/483872433.db2.gz JGBYPIXJNUAKKG-KRWDZBQOSA-N 2 1 362.478 -0.379 20 0 FBADMP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604667755 483872150 /nfs/dbraw/zinc/87/21/50/483872150.db2.gz JGBYPIXJNUAKKG-QGZVFWFLSA-N 2 1 362.478 -0.379 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605846655 483682989 /nfs/dbraw/zinc/68/29/89/483682989.db2.gz ZPTKHBDNZGODHZ-INIZCTEOSA-N 2 1 369.510 -0.003 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605846655 483682985 /nfs/dbraw/zinc/68/29/85/483682985.db2.gz ZPTKHBDNZGODHZ-INIZCTEOSA-N 2 1 369.510 -0.003 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605846656 483682586 /nfs/dbraw/zinc/68/25/86/483682586.db2.gz ZPTKHBDNZGODHZ-MRXNPFEDSA-N 2 1 369.510 -0.003 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605846656 483682583 /nfs/dbraw/zinc/68/25/83/483682583.db2.gz ZPTKHBDNZGODHZ-MRXNPFEDSA-N 2 1 369.510 -0.003 20 0 FBADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000605875110 483756321 /nfs/dbraw/zinc/75/63/21/483756321.db2.gz ATOXNHXEAXGFQC-UHFFFAOYSA-N 2 1 361.490 -0.158 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605875286 483756600 /nfs/dbraw/zinc/75/66/00/483756600.db2.gz BBOIIKBYZXNJJX-CABCVRRESA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605875286 483756597 /nfs/dbraw/zinc/75/65/97/483756597.db2.gz BBOIIKBYZXNJJX-CABCVRRESA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000605875286 483756595 /nfs/dbraw/zinc/75/65/95/483756595.db2.gz BBOIIKBYZXNJJX-CABCVRRESA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605875321 483756681 /nfs/dbraw/zinc/75/66/81/483756681.db2.gz BBOIIKBYZXNJJX-GJZGRUSLSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605875321 483756677 /nfs/dbraw/zinc/75/66/77/483756677.db2.gz BBOIIKBYZXNJJX-GJZGRUSLSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000605875321 483756675 /nfs/dbraw/zinc/75/66/75/483756675.db2.gz BBOIIKBYZXNJJX-GJZGRUSLSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605875335 483756491 /nfs/dbraw/zinc/75/64/91/483756491.db2.gz BBOIIKBYZXNJJX-HUUCEWRRSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605875335 483756488 /nfs/dbraw/zinc/75/64/88/483756488.db2.gz BBOIIKBYZXNJJX-HUUCEWRRSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000605875335 483756485 /nfs/dbraw/zinc/75/64/85/483756485.db2.gz BBOIIKBYZXNJJX-HUUCEWRRSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605875353 483756332 /nfs/dbraw/zinc/75/63/32/483756332.db2.gz BBOIIKBYZXNJJX-LSDHHAIUSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605875353 483756331 /nfs/dbraw/zinc/75/63/31/483756331.db2.gz BBOIIKBYZXNJJX-LSDHHAIUSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000605875353 483756329 /nfs/dbraw/zinc/75/63/29/483756329.db2.gz BBOIIKBYZXNJJX-LSDHHAIUSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757524 /nfs/dbraw/zinc/75/75/24/483757524.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757523 /nfs/dbraw/zinc/75/75/23/483757523.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757522 /nfs/dbraw/zinc/75/75/22/483757522.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757801 /nfs/dbraw/zinc/75/78/01/483757801.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757798 /nfs/dbraw/zinc/75/77/98/483757798.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757795 /nfs/dbraw/zinc/75/77/95/483757795.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757765 /nfs/dbraw/zinc/75/77/65/483757765.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757762 /nfs/dbraw/zinc/75/77/62/483757762.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757759 /nfs/dbraw/zinc/75/77/59/483757759.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757479 /nfs/dbraw/zinc/75/74/79/483757479.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757478 /nfs/dbraw/zinc/75/74/78/483757478.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757475 /nfs/dbraw/zinc/75/74/75/483757475.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 2 1 369.510 -0.016 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881408 483758066 /nfs/dbraw/zinc/75/80/66/483758066.db2.gz LQOMXSLLYLNODL-INIZCTEOSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881424 483758133 /nfs/dbraw/zinc/75/81/33/483758133.db2.gz LQOMXSLLYLNODL-MRXNPFEDSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000605887007 483759982 /nfs/dbraw/zinc/75/99/82/483759982.db2.gz WDDJFLKZTHQIGM-HNNXBMFYSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000605887007 483759980 /nfs/dbraw/zinc/75/99/80/483759980.db2.gz WDDJFLKZTHQIGM-HNNXBMFYSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000605887009 483759512 /nfs/dbraw/zinc/75/95/12/483759512.db2.gz WDDJFLKZTHQIGM-OAHLLOKOSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000605887009 483759511 /nfs/dbraw/zinc/75/95/11/483759511.db2.gz WDDJFLKZTHQIGM-OAHLLOKOSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606658905 483895749 /nfs/dbraw/zinc/89/57/49/483895749.db2.gz CJGXMSVEMOGBJJ-HNNXBMFYSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606658906 483895808 /nfs/dbraw/zinc/89/58/08/483895808.db2.gz CJGXMSVEMOGBJJ-OAHLLOKOSA-N 2 1 355.483 -0.264 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895987 /nfs/dbraw/zinc/89/59/87/483895987.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895986 /nfs/dbraw/zinc/89/59/86/483895986.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895984 /nfs/dbraw/zinc/89/59/84/483895984.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895841 /nfs/dbraw/zinc/89/58/41/483895841.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895839 /nfs/dbraw/zinc/89/58/39/483895839.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895836 /nfs/dbraw/zinc/89/58/36/483895836.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895857 /nfs/dbraw/zinc/89/58/57/483895857.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895855 /nfs/dbraw/zinc/89/58/55/483895855.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895854 /nfs/dbraw/zinc/89/58/54/483895854.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895933 /nfs/dbraw/zinc/89/59/33/483895933.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895930 /nfs/dbraw/zinc/89/59/30/483895930.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 2 1 369.510 -0.051 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895929 /nfs/dbraw/zinc/89/59/29/483895929.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 2 1 369.510 -0.051 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000606704931 483905696 /nfs/dbraw/zinc/90/56/96/483905696.db2.gz GXPZMPWMANRUFF-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000606704932 483906306 /nfs/dbraw/zinc/90/63/06/483906306.db2.gz GXPZMPWMANRUFF-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716527 483906109 /nfs/dbraw/zinc/90/61/09/483906109.db2.gz TUADEVUBCJQBNX-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716527 483906104 /nfs/dbraw/zinc/90/61/04/483906104.db2.gz TUADEVUBCJQBNX-CABCVRRESA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716534 483905938 /nfs/dbraw/zinc/90/59/38/483905938.db2.gz TUADEVUBCJQBNX-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716534 483905932 /nfs/dbraw/zinc/90/59/32/483905932.db2.gz TUADEVUBCJQBNX-GJZGRUSLSA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716536 483906491 /nfs/dbraw/zinc/90/64/91/483906491.db2.gz TUADEVUBCJQBNX-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716536 483906487 /nfs/dbraw/zinc/90/64/87/483906487.db2.gz TUADEVUBCJQBNX-HUUCEWRRSA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716537 483905654 /nfs/dbraw/zinc/90/56/54/483905654.db2.gz TUADEVUBCJQBNX-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCOCC1 ZINC000606716537 483905650 /nfs/dbraw/zinc/90/56/50/483905650.db2.gz TUADEVUBCJQBNX-LSDHHAIUSA-N 2 1 355.483 -0.406 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000607045406 484038713 /nfs/dbraw/zinc/03/87/13/484038713.db2.gz QIVKROSGWPXBJW-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000607045418 484038483 /nfs/dbraw/zinc/03/84/83/484038483.db2.gz QIVKROSGWPXBJW-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049941 484038951 /nfs/dbraw/zinc/03/89/51/484038951.db2.gz GJVWDUCGEIBGLK-DLBZAZTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049944 484039349 /nfs/dbraw/zinc/03/93/49/484039349.db2.gz GJVWDUCGEIBGLK-IAGOWNOFSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049946 484039526 /nfs/dbraw/zinc/03/95/26/484039526.db2.gz GJVWDUCGEIBGLK-IRXDYDNUSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049948 484039847 /nfs/dbraw/zinc/03/98/47/484039847.db2.gz GJVWDUCGEIBGLK-SJORKVTESA-N 2 1 367.538 -0.214 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000607232079 484317711 /nfs/dbraw/zinc/31/77/11/484317711.db2.gz UTJMCDDPVQVHOD-UHFFFAOYSA-N 2 1 369.510 -0.267 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245755 484348896 /nfs/dbraw/zinc/34/88/96/484348896.db2.gz PTIZJUAAYALKRH-HNNXBMFYSA-N 2 1 353.511 -0.089 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245755 484348890 /nfs/dbraw/zinc/34/88/90/484348890.db2.gz PTIZJUAAYALKRH-HNNXBMFYSA-N 2 1 353.511 -0.089 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245756 484349204 /nfs/dbraw/zinc/34/92/04/484349204.db2.gz PTIZJUAAYALKRH-OAHLLOKOSA-N 2 1 353.511 -0.089 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245756 484349196 /nfs/dbraw/zinc/34/91/96/484349196.db2.gz PTIZJUAAYALKRH-OAHLLOKOSA-N 2 1 353.511 -0.089 20 0 FBADMP COCC(=O)NC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608018090 483873408 /nfs/dbraw/zinc/87/34/08/483873408.db2.gz VPDASVSTWPJCAM-AWEZNQCLSA-N 2 1 354.451 -0.707 20 0 FBADMP COCC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608018091 483873327 /nfs/dbraw/zinc/87/33/27/483873327.db2.gz VPDASVSTWPJCAM-CQSZACIVSA-N 2 1 354.451 -0.707 20 0 FBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000609536880 483902791 /nfs/dbraw/zinc/90/27/91/483902791.db2.gz HBXADJHGYJSIPW-UHFFFAOYSA-N 2 1 354.451 -0.752 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000609539589 483904521 /nfs/dbraw/zinc/90/45/21/483904521.db2.gz GWDAGFGVAJEHTI-UHFFFAOYSA-N 2 1 356.467 -0.506 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610115951 484306788 /nfs/dbraw/zinc/30/67/88/484306788.db2.gz KPNIKVJPEKUJAH-UHFFFAOYSA-N 2 1 355.483 -0.142 20 0 FBADMP COC(=O)CNC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610216404 484470406 /nfs/dbraw/zinc/47/04/06/484470406.db2.gz IRVJZUFFDOGJQN-UHFFFAOYSA-N 2 1 370.494 -0.308 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638045 484944377 /nfs/dbraw/zinc/94/43/77/484944377.db2.gz PDVAKWVFOZCDLE-CKEIUWERSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638045 484944372 /nfs/dbraw/zinc/94/43/72/484944372.db2.gz PDVAKWVFOZCDLE-CKEIUWERSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[N@H+]1C1CC1 ZINC000611638045 484944367 /nfs/dbraw/zinc/94/43/67/484944367.db2.gz PDVAKWVFOZCDLE-CKEIUWERSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638046 484944980 /nfs/dbraw/zinc/94/49/80/484944980.db2.gz PDVAKWVFOZCDLE-CPUCHLNUSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638046 484944975 /nfs/dbraw/zinc/94/49/75/484944975.db2.gz PDVAKWVFOZCDLE-CPUCHLNUSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[N@H+]1C1CC1 ZINC000611638046 484944969 /nfs/dbraw/zinc/94/49/69/484944969.db2.gz PDVAKWVFOZCDLE-CPUCHLNUSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638047 484944802 /nfs/dbraw/zinc/94/48/02/484944802.db2.gz PDVAKWVFOZCDLE-JKIFEVAISA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638047 484944796 /nfs/dbraw/zinc/94/47/96/484944796.db2.gz PDVAKWVFOZCDLE-JKIFEVAISA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[N@H+]1C1CC1 ZINC000611638047 484944791 /nfs/dbraw/zinc/94/47/91/484944791.db2.gz PDVAKWVFOZCDLE-JKIFEVAISA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638048 484944907 /nfs/dbraw/zinc/94/49/07/484944907.db2.gz PDVAKWVFOZCDLE-KEYYUXOJSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[NH+]1C1CC1 ZINC000611638048 484944901 /nfs/dbraw/zinc/94/49/01/484944901.db2.gz PDVAKWVFOZCDLE-KEYYUXOJSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[N@H+]1C1CC1 ZINC000611638048 484944896 /nfs/dbraw/zinc/94/48/96/484944896.db2.gz PDVAKWVFOZCDLE-KEYYUXOJSA-N 2 1 364.490 -0.215 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611642817 484945004 /nfs/dbraw/zinc/94/50/04/484945004.db2.gz YXPTXQPHAGKDHI-FMKPAKJESA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611642818 484944397 /nfs/dbraw/zinc/94/43/97/484944397.db2.gz YXPTXQPHAGKDHI-IIAWOOMASA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611642819 484944453 /nfs/dbraw/zinc/94/44/53/484944453.db2.gz YXPTXQPHAGKDHI-IJEWVQPXSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611642820 484944553 /nfs/dbraw/zinc/94/45/53/484944553.db2.gz YXPTXQPHAGKDHI-YCPHGPKFSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000611649368 484945829 /nfs/dbraw/zinc/94/58/29/484945829.db2.gz MLBHPRHVESSEQN-COXVUDFISA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000611649368 484945824 /nfs/dbraw/zinc/94/58/24/484945824.db2.gz MLBHPRHVESSEQN-COXVUDFISA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000611649368 484945822 /nfs/dbraw/zinc/94/58/22/484945822.db2.gz MLBHPRHVESSEQN-COXVUDFISA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000611649369 484945858 /nfs/dbraw/zinc/94/58/58/484945858.db2.gz MLBHPRHVESSEQN-KBRIMQKVSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000611649369 484945854 /nfs/dbraw/zinc/94/58/54/484945854.db2.gz MLBHPRHVESSEQN-KBRIMQKVSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000611649369 484945848 /nfs/dbraw/zinc/94/58/48/484945848.db2.gz MLBHPRHVESSEQN-KBRIMQKVSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000611649371 484946529 /nfs/dbraw/zinc/94/65/29/484946529.db2.gz MLBHPRHVESSEQN-XOKHGSTOSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000611649371 484946522 /nfs/dbraw/zinc/94/65/22/484946522.db2.gz MLBHPRHVESSEQN-XOKHGSTOSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000611649371 484946515 /nfs/dbraw/zinc/94/65/15/484946515.db2.gz MLBHPRHVESSEQN-XOKHGSTOSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000611649372 484946634 /nfs/dbraw/zinc/94/66/34/484946634.db2.gz MLBHPRHVESSEQN-XYPHTWIQSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000611649372 484946628 /nfs/dbraw/zinc/94/66/28/484946628.db2.gz MLBHPRHVESSEQN-XYPHTWIQSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000611649372 484946619 /nfs/dbraw/zinc/94/66/19/484946619.db2.gz MLBHPRHVESSEQN-XYPHTWIQSA-N 2 1 364.490 -0.357 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651829 484946031 /nfs/dbraw/zinc/94/60/31/484946031.db2.gz XEMSRNFPSPSBPR-COXVUDFISA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651835 484946779 /nfs/dbraw/zinc/94/67/79/484946779.db2.gz XEMSRNFPSPSBPR-KBRIMQKVSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651837 484946187 /nfs/dbraw/zinc/94/61/87/484946187.db2.gz XEMSRNFPSPSBPR-XOKHGSTOSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651840 484946088 /nfs/dbraw/zinc/94/60/88/484946088.db2.gz XEMSRNFPSPSBPR-XYPHTWIQSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000611670930 484947291 /nfs/dbraw/zinc/94/72/91/484947291.db2.gz DPXODTHOMALINN-ARFHVFGLSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000611670930 484947286 /nfs/dbraw/zinc/94/72/86/484947286.db2.gz DPXODTHOMALINN-ARFHVFGLSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000611670935 484947523 /nfs/dbraw/zinc/94/75/23/484947523.db2.gz DPXODTHOMALINN-HRCADAONSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000611670935 484947516 /nfs/dbraw/zinc/94/75/16/484947516.db2.gz DPXODTHOMALINN-HRCADAONSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611670936 484948053 /nfs/dbraw/zinc/94/80/53/484948053.db2.gz DPXODTHOMALINN-JYJNAYRXSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000611670936 484948050 /nfs/dbraw/zinc/94/80/50/484948050.db2.gz DPXODTHOMALINN-JYJNAYRXSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611670937 484947712 /nfs/dbraw/zinc/94/77/12/484947712.db2.gz DPXODTHOMALINN-XHSDSOJGSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000611670937 484947705 /nfs/dbraw/zinc/94/77/05/484947705.db2.gz DPXODTHOMALINN-XHSDSOJGSA-N 2 1 370.494 -0.609 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000611851036 484954700 /nfs/dbraw/zinc/95/47/00/484954700.db2.gz YVIQHYYJNJVMBP-GDBMZVCRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000611851037 484955324 /nfs/dbraw/zinc/95/53/24/484955324.db2.gz YVIQHYYJNJVMBP-ZBFHGGJFSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955188 484972402 /nfs/dbraw/zinc/97/24/02/484972402.db2.gz HMWFRYTUTYABKK-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955188 484972397 /nfs/dbraw/zinc/97/23/97/484972397.db2.gz HMWFRYTUTYABKK-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955188 484972388 /nfs/dbraw/zinc/97/23/88/484972388.db2.gz HMWFRYTUTYABKK-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955190 484973184 /nfs/dbraw/zinc/97/31/84/484973184.db2.gz HMWFRYTUTYABKK-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955190 484973178 /nfs/dbraw/zinc/97/31/78/484973178.db2.gz HMWFRYTUTYABKK-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955190 484973172 /nfs/dbraw/zinc/97/31/72/484973172.db2.gz HMWFRYTUTYABKK-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000611955192 484972996 /nfs/dbraw/zinc/97/29/96/484972996.db2.gz HMWFRYTUTYABKK-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000611955192 484972988 /nfs/dbraw/zinc/97/29/88/484972988.db2.gz HMWFRYTUTYABKK-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000611955192 484972979 /nfs/dbraw/zinc/97/29/79/484972979.db2.gz HMWFRYTUTYABKK-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000611955194 484973337 /nfs/dbraw/zinc/97/33/37/484973337.db2.gz HMWFRYTUTYABKK-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000611955194 484973330 /nfs/dbraw/zinc/97/33/30/484973330.db2.gz HMWFRYTUTYABKK-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000611955194 484973323 /nfs/dbraw/zinc/97/33/23/484973323.db2.gz HMWFRYTUTYABKK-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000612098611 485142361 /nfs/dbraw/zinc/14/23/61/485142361.db2.gz WBOXSFHKSUWVOP-UHFFFAOYSA-N 2 1 370.494 -0.166 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000612447664 485211370 /nfs/dbraw/zinc/21/13/70/485211370.db2.gz SBDZQIMBAVIPRU-BHYGNILZSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000612447664 485211365 /nfs/dbraw/zinc/21/13/65/485211365.db2.gz SBDZQIMBAVIPRU-BHYGNILZSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612447664 485211359 /nfs/dbraw/zinc/21/13/59/485211359.db2.gz SBDZQIMBAVIPRU-BHYGNILZSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000612447666 485211627 /nfs/dbraw/zinc/21/16/27/485211627.db2.gz SBDZQIMBAVIPRU-HYVNUMGLSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000612447666 485211623 /nfs/dbraw/zinc/21/16/23/485211623.db2.gz SBDZQIMBAVIPRU-HYVNUMGLSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612447666 485211619 /nfs/dbraw/zinc/21/16/19/485211619.db2.gz SBDZQIMBAVIPRU-HYVNUMGLSA-N 2 1 364.490 -0.213 20 0 FBADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612480000 485214481 /nfs/dbraw/zinc/21/44/81/485214481.db2.gz FYMFCKFRALGSHZ-HRCADAONSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612480002 485213985 /nfs/dbraw/zinc/21/39/85/485213985.db2.gz FYMFCKFRALGSHZ-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542670 485221806 /nfs/dbraw/zinc/22/18/06/485221806.db2.gz KGSMIOKGUKMVOB-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542670 485221802 /nfs/dbraw/zinc/22/18/02/485221802.db2.gz KGSMIOKGUKMVOB-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542670 485221798 /nfs/dbraw/zinc/22/17/98/485221798.db2.gz KGSMIOKGUKMVOB-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542670 485221794 /nfs/dbraw/zinc/22/17/94/485221794.db2.gz KGSMIOKGUKMVOB-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542677 485220905 /nfs/dbraw/zinc/22/09/05/485220905.db2.gz KGSMIOKGUKMVOB-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542677 485220899 /nfs/dbraw/zinc/22/08/99/485220899.db2.gz KGSMIOKGUKMVOB-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542677 485220894 /nfs/dbraw/zinc/22/08/94/485220894.db2.gz KGSMIOKGUKMVOB-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542677 485220890 /nfs/dbraw/zinc/22/08/90/485220890.db2.gz KGSMIOKGUKMVOB-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542679 485220856 /nfs/dbraw/zinc/22/08/56/485220856.db2.gz KGSMIOKGUKMVOB-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542679 485220852 /nfs/dbraw/zinc/22/08/52/485220852.db2.gz KGSMIOKGUKMVOB-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542679 485220851 /nfs/dbraw/zinc/22/08/51/485220851.db2.gz KGSMIOKGUKMVOB-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000612542679 485220844 /nfs/dbraw/zinc/22/08/44/485220844.db2.gz KGSMIOKGUKMVOB-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542680 485221247 /nfs/dbraw/zinc/22/12/47/485221247.db2.gz KGSMIOKGUKMVOB-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542680 485221241 /nfs/dbraw/zinc/22/12/41/485221241.db2.gz KGSMIOKGUKMVOB-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542680 485221237 /nfs/dbraw/zinc/22/12/37/485221237.db2.gz KGSMIOKGUKMVOB-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000612542680 485221233 /nfs/dbraw/zinc/22/12/33/485221233.db2.gz KGSMIOKGUKMVOB-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612542761 485221859 /nfs/dbraw/zinc/22/18/59/485221859.db2.gz LJMJMGGFFOFKJG-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612542762 485221778 /nfs/dbraw/zinc/22/17/78/485221778.db2.gz LJMJMGGFFOFKJG-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612542763 485221331 /nfs/dbraw/zinc/22/13/31/485221331.db2.gz LJMJMGGFFOFKJG-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612542764 485220342 /nfs/dbraw/zinc/22/03/42/485220342.db2.gz LJMJMGGFFOFKJG-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220382 /nfs/dbraw/zinc/22/03/82/485220382.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220377 /nfs/dbraw/zinc/22/03/77/485220377.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220371 /nfs/dbraw/zinc/22/03/71/485220371.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220707 /nfs/dbraw/zinc/22/07/07/485220707.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220702 /nfs/dbraw/zinc/22/07/02/485220702.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220698 /nfs/dbraw/zinc/22/06/98/485220698.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221459 /nfs/dbraw/zinc/22/14/59/485221459.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221452 /nfs/dbraw/zinc/22/14/52/485221452.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221447 /nfs/dbraw/zinc/22/14/47/485221447.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221818 /nfs/dbraw/zinc/22/18/18/485221818.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221815 /nfs/dbraw/zinc/22/18/15/485221815.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221813 /nfs/dbraw/zinc/22/18/13/485221813.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544215 485220162 /nfs/dbraw/zinc/22/01/62/485220162.db2.gz XHWOGMMWZNPQKC-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544215 485220159 /nfs/dbraw/zinc/22/01/59/485220159.db2.gz XHWOGMMWZNPQKC-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544215 485220152 /nfs/dbraw/zinc/22/01/52/485220152.db2.gz XHWOGMMWZNPQKC-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544215 485220150 /nfs/dbraw/zinc/22/01/50/485220150.db2.gz XHWOGMMWZNPQKC-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544216 485221196 /nfs/dbraw/zinc/22/11/96/485221196.db2.gz XHWOGMMWZNPQKC-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544216 485221189 /nfs/dbraw/zinc/22/11/89/485221189.db2.gz XHWOGMMWZNPQKC-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544216 485221185 /nfs/dbraw/zinc/22/11/85/485221185.db2.gz XHWOGMMWZNPQKC-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544216 485221181 /nfs/dbraw/zinc/22/11/81/485221181.db2.gz XHWOGMMWZNPQKC-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544217 485220679 /nfs/dbraw/zinc/22/06/79/485220679.db2.gz XHWOGMMWZNPQKC-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544217 485220677 /nfs/dbraw/zinc/22/06/77/485220677.db2.gz XHWOGMMWZNPQKC-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544217 485220671 /nfs/dbraw/zinc/22/06/71/485220671.db2.gz XHWOGMMWZNPQKC-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000612544217 485220668 /nfs/dbraw/zinc/22/06/68/485220668.db2.gz XHWOGMMWZNPQKC-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544218 485221014 /nfs/dbraw/zinc/22/10/14/485221014.db2.gz XHWOGMMWZNPQKC-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544218 485221011 /nfs/dbraw/zinc/22/10/11/485221011.db2.gz XHWOGMMWZNPQKC-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544218 485221007 /nfs/dbraw/zinc/22/10/07/485221007.db2.gz XHWOGMMWZNPQKC-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000612544218 485221000 /nfs/dbraw/zinc/22/10/00/485221000.db2.gz XHWOGMMWZNPQKC-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000612544429 485220501 /nfs/dbraw/zinc/22/05/01/485220501.db2.gz CSBVZNWAMQAIDQ-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000612544429 485220498 /nfs/dbraw/zinc/22/04/98/485220498.db2.gz CSBVZNWAMQAIDQ-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000612544430 485220474 /nfs/dbraw/zinc/22/04/74/485220474.db2.gz CSBVZNWAMQAIDQ-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000612544430 485220471 /nfs/dbraw/zinc/22/04/71/485220471.db2.gz CSBVZNWAMQAIDQ-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000612544431 485221358 /nfs/dbraw/zinc/22/13/58/485221358.db2.gz CSBVZNWAMQAIDQ-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000612544431 485221353 /nfs/dbraw/zinc/22/13/53/485221353.db2.gz CSBVZNWAMQAIDQ-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000612544432 485220779 /nfs/dbraw/zinc/22/07/79/485220779.db2.gz CSBVZNWAMQAIDQ-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000612544432 485220775 /nfs/dbraw/zinc/22/07/75/485220775.db2.gz CSBVZNWAMQAIDQ-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000612544793 485221511 /nfs/dbraw/zinc/22/15/11/485221511.db2.gz GYVQFGLKDGZYSY-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000612544793 485221507 /nfs/dbraw/zinc/22/15/07/485221507.db2.gz GYVQFGLKDGZYSY-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000612544794 485222153 /nfs/dbraw/zinc/22/21/53/485222153.db2.gz GYVQFGLKDGZYSY-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000612544794 485222147 /nfs/dbraw/zinc/22/21/47/485222147.db2.gz GYVQFGLKDGZYSY-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000612544797 485222481 /nfs/dbraw/zinc/22/24/81/485222481.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000612544797 485222474 /nfs/dbraw/zinc/22/24/74/485222474.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000612544797 485222467 /nfs/dbraw/zinc/22/24/67/485222467.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000612544798 485223511 /nfs/dbraw/zinc/22/35/11/485223511.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000612544798 485223505 /nfs/dbraw/zinc/22/35/05/485223505.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000612544798 485223500 /nfs/dbraw/zinc/22/35/00/485223500.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000612547421 485223452 /nfs/dbraw/zinc/22/34/52/485223452.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000612547421 485223449 /nfs/dbraw/zinc/22/34/49/485223449.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000612547421 485223444 /nfs/dbraw/zinc/22/34/44/485223444.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000612547422 485223545 /nfs/dbraw/zinc/22/35/45/485223545.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000612547422 485223539 /nfs/dbraw/zinc/22/35/39/485223539.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000612547422 485223533 /nfs/dbraw/zinc/22/35/33/485223533.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548155 485223030 /nfs/dbraw/zinc/22/30/30/485223030.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548155 485223027 /nfs/dbraw/zinc/22/30/27/485223027.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548155 485223024 /nfs/dbraw/zinc/22/30/24/485223024.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548156 485223300 /nfs/dbraw/zinc/22/33/00/485223300.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548156 485223295 /nfs/dbraw/zinc/22/32/95/485223295.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548156 485223293 /nfs/dbraw/zinc/22/32/93/485223293.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548157 485222375 /nfs/dbraw/zinc/22/23/75/485222375.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548157 485222365 /nfs/dbraw/zinc/22/23/65/485222365.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548157 485222361 /nfs/dbraw/zinc/22/23/61/485222361.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548158 485223289 /nfs/dbraw/zinc/22/32/89/485223289.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548158 485223287 /nfs/dbraw/zinc/22/32/87/485223287.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548158 485223284 /nfs/dbraw/zinc/22/32/84/485223284.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612560867 485224575 /nfs/dbraw/zinc/22/45/75/485224575.db2.gz BPYWGVXNSUDBAL-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000612590871 485225967 /nfs/dbraw/zinc/22/59/67/485225967.db2.gz FZMWVLQONCYPNJ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000612590872 485226122 /nfs/dbraw/zinc/22/61/22/485226122.db2.gz FZMWVLQONCYPNJ-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000612590873 485225939 /nfs/dbraw/zinc/22/59/39/485225939.db2.gz FZMWVLQONCYPNJ-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000612590874 485225995 /nfs/dbraw/zinc/22/59/95/485225995.db2.gz FZMWVLQONCYPNJ-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593903 485225671 /nfs/dbraw/zinc/22/56/71/485225671.db2.gz GTMISSUXNIRETL-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612593904 485225853 /nfs/dbraw/zinc/22/58/53/485225853.db2.gz GTMISSUXNIRETL-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595063 485228111 /nfs/dbraw/zinc/22/81/11/485228111.db2.gz IWLORJSYNZZQKG-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595064 485228636 /nfs/dbraw/zinc/22/86/36/485228636.db2.gz IWLORJSYNZZQKG-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595065 485228939 /nfs/dbraw/zinc/22/89/39/485228939.db2.gz IWLORJSYNZZQKG-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595066 485228519 /nfs/dbraw/zinc/22/85/19/485228519.db2.gz IWLORJSYNZZQKG-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612596043 485226338 /nfs/dbraw/zinc/22/63/38/485226338.db2.gz NUHRANXNAOFGQK-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612596044 485226205 /nfs/dbraw/zinc/22/62/05/485226205.db2.gz NUHRANXNAOFGQK-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000612597954 485226737 /nfs/dbraw/zinc/22/67/37/485226737.db2.gz PWXCLBNXLRGGBC-DJIMGWMZSA-N 2 1 364.490 -0.092 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000612597957 485227457 /nfs/dbraw/zinc/22/74/57/485227457.db2.gz PWXCLBNXLRGGBC-HYVNUMGLSA-N 2 1 364.490 -0.092 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000612597959 485226988 /nfs/dbraw/zinc/22/69/88/485226988.db2.gz PWXCLBNXLRGGBC-OIISXLGYSA-N 2 1 364.490 -0.092 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)[C@H]2C1 ZINC000612597960 485227415 /nfs/dbraw/zinc/22/74/15/485227415.db2.gz PWXCLBNXLRGGBC-PVAVHDDUSA-N 2 1 364.490 -0.092 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598810 485226726 /nfs/dbraw/zinc/22/67/26/485226726.db2.gz JGLOCLYIWRNRBD-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598811 485226932 /nfs/dbraw/zinc/22/69/32/485226932.db2.gz JGLOCLYIWRNRBD-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598812 485226908 /nfs/dbraw/zinc/22/69/08/485226908.db2.gz JGLOCLYIWRNRBD-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598813 485227501 /nfs/dbraw/zinc/22/75/01/485227501.db2.gz JGLOCLYIWRNRBD-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599073 485227044 /nfs/dbraw/zinc/22/70/44/485227044.db2.gz OOZRLMRJASHFOI-HNNXBMFYSA-N 2 1 370.519 -0.479 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599074 485227163 /nfs/dbraw/zinc/22/71/63/485227163.db2.gz OOZRLMRJASHFOI-OAHLLOKOSA-N 2 1 370.519 -0.479 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612601630 485227057 /nfs/dbraw/zinc/22/70/57/485227057.db2.gz RXUZAQZIMXMGOG-KRWDZBQOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612601632 485226706 /nfs/dbraw/zinc/22/67/06/485226706.db2.gz RXUZAQZIMXMGOG-QGZVFWFLSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612772581 485241295 /nfs/dbraw/zinc/24/12/95/485241295.db2.gz FLZNNYOGAZDNQC-DLBZAZTESA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000612972893 485253450 /nfs/dbraw/zinc/25/34/50/485253450.db2.gz WGSBDOUKWYLERN-CVEARBPZSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000612972900 485253819 /nfs/dbraw/zinc/25/38/19/485253819.db2.gz WGSBDOUKWYLERN-HOTGVXAUSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000612972903 485253288 /nfs/dbraw/zinc/25/32/88/485253288.db2.gz WGSBDOUKWYLERN-HZPDHXFCSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000612972905 485253858 /nfs/dbraw/zinc/25/38/58/485253858.db2.gz WGSBDOUKWYLERN-JKSUJKDBSA-N 2 1 351.495 -0.166 20 0 FBADMP CC1[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614125581 484451225 /nfs/dbraw/zinc/45/12/25/484451225.db2.gz WNGUSHDTUBRYEI-RFSXOUPVSA-N 2 1 360.502 -0.092 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000614909023 484632784 /nfs/dbraw/zinc/63/27/84/484632784.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000614909023 484632778 /nfs/dbraw/zinc/63/27/78/484632778.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000614909023 484632773 /nfs/dbraw/zinc/63/27/73/484632773.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000614909024 484633002 /nfs/dbraw/zinc/63/30/02/484633002.db2.gz NRMDJYCHROZMEV-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000614909024 484632994 /nfs/dbraw/zinc/63/29/94/484632994.db2.gz NRMDJYCHROZMEV-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000614909024 484632987 /nfs/dbraw/zinc/63/29/87/484632987.db2.gz NRMDJYCHROZMEV-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)n[nH]3)[C@@H]2C1 ZINC000615185099 484966601 /nfs/dbraw/zinc/96/66/01/484966601.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)n[nH]3)[C@@H]2C1 ZINC000615185099 484966594 /nfs/dbraw/zinc/96/65/94/484966594.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)[nH]n2)C1 ZINC000615185099 484966591 /nfs/dbraw/zinc/96/65/91/484966591.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)[nH]n2)C1 ZINC000615185099 484966587 /nfs/dbraw/zinc/96/65/87/484966587.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)n[nH]2)C1 ZINC000615185099 484966580 /nfs/dbraw/zinc/96/65/80/484966580.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)n[nH]2)C1 ZINC000615185099 484966574 /nfs/dbraw/zinc/96/65/74/484966574.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)[nH]n3)[C@@H]2C1 ZINC000615185099 484966570 /nfs/dbraw/zinc/96/65/70/484966570.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)n[nH]3)[C@@H]2C1 ZINC000615185100 484967125 /nfs/dbraw/zinc/96/71/25/484967125.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)n[nH]3)[C@@H]2C1 ZINC000615185100 484967122 /nfs/dbraw/zinc/96/71/22/484967122.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@H]54)[nH]n3)[C@@H]2C1 ZINC000615185100 484967116 /nfs/dbraw/zinc/96/71/16/484967116.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@H]54)[nH]n3)[C@@H]2C1 ZINC000615185100 484967113 /nfs/dbraw/zinc/96/71/13/484967113.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@H]54)n[nH]3)[C@@H]2C1 ZINC000615185100 484967108 /nfs/dbraw/zinc/96/71/08/484967108.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@H]54)n[nH]3)[C@@H]2C1 ZINC000615185100 484967104 /nfs/dbraw/zinc/96/71/04/484967104.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)[nH]n3)[C@@H]2C1 ZINC000615185100 484967101 /nfs/dbraw/zinc/96/71/01/484967101.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)n[nH]3)[C@H]2C1 ZINC000615185101 484967246 /nfs/dbraw/zinc/96/72/46/484967246.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)n[nH]3)[C@H]2C1 ZINC000615185101 484967243 /nfs/dbraw/zinc/96/72/43/484967243.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@@H]54)[nH]n3)[C@@H]2C1 ZINC000615185101 484967237 /nfs/dbraw/zinc/96/72/37/484967237.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@@H]54)[nH]n3)[C@@H]2C1 ZINC000615185101 484967230 /nfs/dbraw/zinc/96/72/30/484967230.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@@H]54)n[nH]3)[C@@H]2C1 ZINC000615185101 484967228 /nfs/dbraw/zinc/96/72/28/484967228.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@@H]54)n[nH]3)[C@@H]2C1 ZINC000615185101 484967224 /nfs/dbraw/zinc/96/72/24/484967224.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)[nH]n3)[C@H]2C1 ZINC000615185101 484967217 /nfs/dbraw/zinc/96/72/17/484967217.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)n[nH]3)[C@H]2C1 ZINC000615185102 484966743 /nfs/dbraw/zinc/96/67/43/484966743.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)n[nH]3)[C@H]2C1 ZINC000615185102 484966737 /nfs/dbraw/zinc/96/67/37/484966737.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[nH]n2)C1 ZINC000615185102 484966727 /nfs/dbraw/zinc/96/67/27/484966727.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[nH]n2)C1 ZINC000615185102 484966720 /nfs/dbraw/zinc/96/67/20/484966720.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)n[nH]2)C1 ZINC000615185102 484966712 /nfs/dbraw/zinc/96/67/12/484966712.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)n[nH]2)C1 ZINC000615185102 484966705 /nfs/dbraw/zinc/96/67/05/484966705.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)[nH]n3)[C@H]2C1 ZINC000615185102 484966699 /nfs/dbraw/zinc/96/66/99/484966699.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 1 372.473 -0.038 20 0 FBADMP CN(C[C@H](O)CNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000615216318 484980001 /nfs/dbraw/zinc/98/00/01/484980001.db2.gz VAIBNYCNRPDQGH-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000615216319 484980384 /nfs/dbraw/zinc/98/03/84/484980384.db2.gz VAIBNYCNRPDQGH-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000615216320 484980505 /nfs/dbraw/zinc/98/05/05/484980505.db2.gz VAIBNYCNRPDQGH-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000615216321 484979757 /nfs/dbraw/zinc/97/97/57/484979757.db2.gz VAIBNYCNRPDQGH-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216441 484980582 /nfs/dbraw/zinc/98/05/82/484980582.db2.gz XXMKSXBQDSYIHO-IBEHDNSVSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216441 484980577 /nfs/dbraw/zinc/98/05/77/484980577.db2.gz XXMKSXBQDSYIHO-IBEHDNSVSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216441 484980573 /nfs/dbraw/zinc/98/05/73/484980573.db2.gz XXMKSXBQDSYIHO-IBEHDNSVSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216442 484980547 /nfs/dbraw/zinc/98/05/47/484980547.db2.gz XXMKSXBQDSYIHO-OXGONZEZSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216442 484980543 /nfs/dbraw/zinc/98/05/43/484980543.db2.gz XXMKSXBQDSYIHO-OXGONZEZSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216442 484980537 /nfs/dbraw/zinc/98/05/37/484980537.db2.gz XXMKSXBQDSYIHO-OXGONZEZSA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000615222359 484983775 /nfs/dbraw/zinc/98/37/75/484983775.db2.gz ZQNWDBKUOTUBLK-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000615222363 484983583 /nfs/dbraw/zinc/98/35/83/484983583.db2.gz ZQNWDBKUOTUBLK-OAGGEKHMSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000615222367 484983088 /nfs/dbraw/zinc/98/30/88/484983088.db2.gz ZQNWDBKUOTUBLK-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000615222369 484983824 /nfs/dbraw/zinc/98/38/24/484983824.db2.gz ZQNWDBKUOTUBLK-PMPSAXMXSA-N 2 1 354.495 -0.395 20 0 FBADMP CC(C)C[C@H](NC(=O)CN1CC[NH+](C)CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000615231420 484995330 /nfs/dbraw/zinc/99/53/30/484995330.db2.gz RNJVHOSGNOQDPU-IRXDYDNUSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)C[C@H](NC(=O)CN1CC[NH+](C)CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615231441 484993873 /nfs/dbraw/zinc/99/38/73/484993873.db2.gz RNJVHOSGNOQDPU-SJORKVTESA-N 2 1 367.538 -0.073 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)CC1=O ZINC000615263546 485026766 /nfs/dbraw/zinc/02/67/66/485026766.db2.gz IBQDLKHEYGKFLJ-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)CC1=O ZINC000615263548 485025807 /nfs/dbraw/zinc/02/58/07/485025807.db2.gz IBQDLKHEYGKFLJ-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1=O ZINC000615263549 485027120 /nfs/dbraw/zinc/02/71/20/485027120.db2.gz IBQDLKHEYGKFLJ-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)CC1=O ZINC000615263551 485028816 /nfs/dbraw/zinc/02/88/16/485028816.db2.gz IBQDLKHEYGKFLJ-PMPSAXMXSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC(CN3CC[NH+](C)CC3)C2)CC1=O ZINC000615272626 485035742 /nfs/dbraw/zinc/03/57/42/485035742.db2.gz AJMHVCLFBGRAMA-INIZCTEOSA-N 2 1 351.495 -0.898 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC(CN3CC[NH+](C)CC3)C2)CC1=O ZINC000615272627 485035388 /nfs/dbraw/zinc/03/53/88/485035388.db2.gz AJMHVCLFBGRAMA-MRXNPFEDSA-N 2 1 351.495 -0.898 20 0 FBADMP C[NH+](C)CC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000615510685 484374861 /nfs/dbraw/zinc/37/48/61/484374861.db2.gz SRFILFFXHJUFES-INIZCTEOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000615510686 484375156 /nfs/dbraw/zinc/37/51/56/484375156.db2.gz SRFILFFXHJUFES-MRXNPFEDSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)c3cc(C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)n[nH]3)C[C@H]21 ZINC000615850831 484431138 /nfs/dbraw/zinc/43/11/38/484431138.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)c3cc(C(=O)N4C[C@H]5CC[N@H+](C)[C@H]5C4)n[nH]3)C[C@H]21 ZINC000615850831 484431135 /nfs/dbraw/zinc/43/11/35/484431135.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)c3cc(C(=O)N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)[nH]n3)C[C@@H]21 ZINC000615850831 484431132 /nfs/dbraw/zinc/43/11/32/484431132.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)c3cc(C(=O)N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)[nH]n3)C[C@@H]21 ZINC000615850831 484431129 /nfs/dbraw/zinc/43/11/29/484431129.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)c3cc(C(=O)N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)n[nH]3)C[C@@H]21 ZINC000615850831 484431126 /nfs/dbraw/zinc/43/11/26/484431126.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)c3cc(C(=O)N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)n[nH]3)C[C@@H]21 ZINC000615850831 484431123 /nfs/dbraw/zinc/43/11/23/484431123.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)c3cc(C(=O)N4C[C@H]5CC[N@H+](C)[C@H]5C4)[nH]n3)C[C@H]21 ZINC000615850831 484431120 /nfs/dbraw/zinc/43/11/20/484431120.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 1 372.473 -0.038 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cnnn2)CCOCC1 ZINC000617502262 484095250 /nfs/dbraw/zinc/09/52/50/484095250.db2.gz IZOZUCBILQCSIS-AWEZNQCLSA-N 2 1 353.471 -0.433 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cnnn2)CCOCC1 ZINC000617502262 484095244 /nfs/dbraw/zinc/09/52/44/484095244.db2.gz IZOZUCBILQCSIS-AWEZNQCLSA-N 2 1 353.471 -0.433 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000617502398 484094777 /nfs/dbraw/zinc/09/47/77/484094777.db2.gz NXGXJSUCZRGTME-AWEZNQCLSA-N 2 1 352.483 -0.231 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000617502398 484094773 /nfs/dbraw/zinc/09/47/73/484094773.db2.gz NXGXJSUCZRGTME-AWEZNQCLSA-N 2 1 352.483 -0.231 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cccnc1 ZINC000617502604 484095677 /nfs/dbraw/zinc/09/56/77/484095677.db2.gz VVGUOBHNMAQQRY-AWEZNQCLSA-N 2 1 371.507 -0.252 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cccnc1 ZINC000617502604 484095671 /nfs/dbraw/zinc/09/56/71/484095671.db2.gz VVGUOBHNMAQQRY-AWEZNQCLSA-N 2 1 371.507 -0.252 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000617503795 484095324 /nfs/dbraw/zinc/09/53/24/484095324.db2.gz ZOZYQVDURHELDM-HNNXBMFYSA-N 2 1 367.498 -0.043 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000617503795 484095319 /nfs/dbraw/zinc/09/53/19/484095319.db2.gz ZOZYQVDURHELDM-HNNXBMFYSA-N 2 1 367.498 -0.043 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000617504132 484095123 /nfs/dbraw/zinc/09/51/23/484095123.db2.gz HZIDUKAPWXGCOF-ZDUSSCGKSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000617504132 484095117 /nfs/dbraw/zinc/09/51/17/484095117.db2.gz HZIDUKAPWXGCOF-ZDUSSCGKSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000617504371 484094867 /nfs/dbraw/zinc/09/48/67/484094867.db2.gz SKSKLJYNSQFLPW-LBPRGKRZSA-N 2 1 359.496 -0.326 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000617504371 484094863 /nfs/dbraw/zinc/09/48/63/484094863.db2.gz SKSKLJYNSQFLPW-LBPRGKRZSA-N 2 1 359.496 -0.326 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000617504391 484094377 /nfs/dbraw/zinc/09/43/77/484094377.db2.gz UBCPSDZNAAHGQU-ZDUSSCGKSA-N 2 1 363.466 -0.482 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000617504391 484094368 /nfs/dbraw/zinc/09/43/68/484094368.db2.gz UBCPSDZNAAHGQU-ZDUSSCGKSA-N 2 1 363.466 -0.482 20 0 FBADMP CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504717 484094555 /nfs/dbraw/zinc/09/45/55/484094555.db2.gz GYTWPFFSHXZZEF-KBPBESRZSA-N 2 1 350.529 -0.052 20 0 FBADMP CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504717 484094550 /nfs/dbraw/zinc/09/45/50/484094550.db2.gz GYTWPFFSHXZZEF-KBPBESRZSA-N 2 1 350.529 -0.052 20 0 FBADMP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504718 484097065 /nfs/dbraw/zinc/09/70/65/484097065.db2.gz GYTWPFFSHXZZEF-UONOGXRCSA-N 2 1 350.529 -0.052 20 0 FBADMP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504718 484097055 /nfs/dbraw/zinc/09/70/55/484097055.db2.gz GYTWPFFSHXZZEF-UONOGXRCSA-N 2 1 350.529 -0.052 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000617504800 484096913 /nfs/dbraw/zinc/09/69/13/484096913.db2.gz KSPRYFZMSKEGAA-ZDUSSCGKSA-N 2 1 374.511 -0.913 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000617504800 484096906 /nfs/dbraw/zinc/09/69/06/484096906.db2.gz KSPRYFZMSKEGAA-ZDUSSCGKSA-N 2 1 374.511 -0.913 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000617504967 484095717 /nfs/dbraw/zinc/09/57/17/484095717.db2.gz RIPITTSSDGUSPA-ZDUSSCGKSA-N 2 1 353.471 -0.632 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000617504967 484095710 /nfs/dbraw/zinc/09/57/10/484095710.db2.gz RIPITTSSDGUSPA-ZDUSSCGKSA-N 2 1 353.471 -0.632 20 0 FBADMP CCN1CCN(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(=O)C1=O ZINC000617504978 484095184 /nfs/dbraw/zinc/09/51/84/484095184.db2.gz RVYDILAGWGUVBT-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP CCN1CCN(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(=O)C1=O ZINC000617504978 484095178 /nfs/dbraw/zinc/09/51/78/484095178.db2.gz RVYDILAGWGUVBT-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505652 484097138 /nfs/dbraw/zinc/09/71/38/484097138.db2.gz LRTDQFFYORGOSN-GOEBONIOSA-N 2 1 369.510 -0.498 20 0 FBADMP CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505652 484097131 /nfs/dbraw/zinc/09/71/31/484097131.db2.gz LRTDQFFYORGOSN-GOEBONIOSA-N 2 1 369.510 -0.498 20 0 FBADMP CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505653 484097712 /nfs/dbraw/zinc/09/77/12/484097712.db2.gz LRTDQFFYORGOSN-HOCLYGCPSA-N 2 1 369.510 -0.498 20 0 FBADMP CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505653 484097706 /nfs/dbraw/zinc/09/77/06/484097706.db2.gz LRTDQFFYORGOSN-HOCLYGCPSA-N 2 1 369.510 -0.498 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000617506405 484096352 /nfs/dbraw/zinc/09/63/52/484096352.db2.gz MEVAMZWWEGKHMQ-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000617506405 484096348 /nfs/dbraw/zinc/09/63/48/484096348.db2.gz MEVAMZWWEGKHMQ-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000617506452 484097554 /nfs/dbraw/zinc/09/75/54/484097554.db2.gz NXVPIQXAQRSNLA-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000617506452 484097547 /nfs/dbraw/zinc/09/75/47/484097547.db2.gz NXVPIQXAQRSNLA-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000617506467 484097409 /nfs/dbraw/zinc/09/74/09/484097409.db2.gz OLCKVHMLPNOOSY-ZDUSSCGKSA-N 2 1 374.511 -0.913 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000617506467 484097403 /nfs/dbraw/zinc/09/74/03/484097403.db2.gz OLCKVHMLPNOOSY-ZDUSSCGKSA-N 2 1 374.511 -0.913 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000617506662 484096698 /nfs/dbraw/zinc/09/66/98/484096698.db2.gz VPWGBAASJORCRY-LBPRGKRZSA-N 2 1 361.450 -0.170 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000617506662 484096694 /nfs/dbraw/zinc/09/66/94/484096694.db2.gz VPWGBAASJORCRY-LBPRGKRZSA-N 2 1 361.450 -0.170 20 0 FBADMP CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617506937 484097313 /nfs/dbraw/zinc/09/73/13/484097313.db2.gz CTIMWVZSZCTZNZ-ZDUSSCGKSA-N 2 1 371.507 -0.009 20 0 FBADMP CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617506937 484097306 /nfs/dbraw/zinc/09/73/06/484097306.db2.gz CTIMWVZSZCTZNZ-ZDUSSCGKSA-N 2 1 371.507 -0.009 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000617507326 484096759 /nfs/dbraw/zinc/09/67/59/484096759.db2.gz RRYNLSRFIFJEHR-MAUKXSAKSA-N 2 1 352.479 -0.013 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000617507326 484096748 /nfs/dbraw/zinc/09/67/48/484096748.db2.gz RRYNLSRFIFJEHR-MAUKXSAKSA-N 2 1 352.479 -0.013 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000617507327 484097759 /nfs/dbraw/zinc/09/77/59/484097759.db2.gz RRYNLSRFIFJEHR-YJBOKZPZSA-N 2 1 352.479 -0.013 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000617507327 484097753 /nfs/dbraw/zinc/09/77/53/484097753.db2.gz RRYNLSRFIFJEHR-YJBOKZPZSA-N 2 1 352.479 -0.013 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000617507357 484097283 /nfs/dbraw/zinc/09/72/83/484097283.db2.gz SZTRDYBGYWFVHU-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000617507357 484097279 /nfs/dbraw/zinc/09/72/79/484097279.db2.gz SZTRDYBGYWFVHU-LBPRGKRZSA-N 2 1 357.480 -0.269 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000617507652 484096599 /nfs/dbraw/zinc/09/65/99/484096599.db2.gz DTTRJOQQGDCDPW-KBPBESRZSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000617507652 484096589 /nfs/dbraw/zinc/09/65/89/484096589.db2.gz DTTRJOQQGDCDPW-KBPBESRZSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000617507653 484097641 /nfs/dbraw/zinc/09/76/41/484097641.db2.gz DTTRJOQQGDCDPW-UONOGXRCSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000617507653 484097635 /nfs/dbraw/zinc/09/76/35/484097635.db2.gz DTTRJOQQGDCDPW-UONOGXRCSA-N 2 1 363.528 -0.710 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000617508013 484096840 /nfs/dbraw/zinc/09/68/40/484096840.db2.gz RPTJSUAQPHZTRC-ZDUSSCGKSA-N 2 1 351.517 -0.887 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000617508013 484096831 /nfs/dbraw/zinc/09/68/31/484096831.db2.gz RPTJSUAQPHZTRC-ZDUSSCGKSA-N 2 1 351.517 -0.887 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000618194175 484496956 /nfs/dbraw/zinc/49/69/56/484496956.db2.gz SSJQGIZMYYHSLK-INIZCTEOSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000618194176 484496470 /nfs/dbraw/zinc/49/64/70/484496470.db2.gz SSJQGIZMYYHSLK-MRXNPFEDSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000618402050 483499300 /nfs/dbraw/zinc/49/93/00/483499300.db2.gz CKKSIJVKTXAUTQ-HNNXBMFYSA-N 2 1 360.524 -0.105 20 0 FBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000618402057 483498787 /nfs/dbraw/zinc/49/87/87/483498787.db2.gz CKKSIJVKTXAUTQ-OAHLLOKOSA-N 2 1 360.524 -0.105 20 0 FBADMP Cn1c(=O)ccn(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1=O ZINC000619176622 484513067 /nfs/dbraw/zinc/51/30/67/484513067.db2.gz HQVIUHQLASQDAU-UHFFFAOYSA-N 2 1 358.402 -0.668 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000620484915 484604018 /nfs/dbraw/zinc/60/40/18/484604018.db2.gz OWQWDMOLEJMITP-GDBMZVCRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000620484918 484604370 /nfs/dbraw/zinc/60/43/70/484604370.db2.gz OWQWDMOLEJMITP-GOEBONIOSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000620484919 484603584 /nfs/dbraw/zinc/60/35/84/484603584.db2.gz OWQWDMOLEJMITP-HOCLYGCPSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000620484920 484604172 /nfs/dbraw/zinc/60/41/72/484604172.db2.gz OWQWDMOLEJMITP-ZBFHGGJFSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000621831656 484721325 /nfs/dbraw/zinc/72/13/25/484721325.db2.gz PTZISTIQSNERBF-ZDUSSCGKSA-N 2 1 361.446 -0.134 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCCO1 ZINC000621837319 484724982 /nfs/dbraw/zinc/72/49/82/484724982.db2.gz DYBMTMODFQDQLI-IIDMSEBBSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCCO1 ZINC000621837320 484724760 /nfs/dbraw/zinc/72/47/60/484724760.db2.gz DYBMTMODFQDQLI-RKVPGOIHSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCO1 ZINC000621837321 484725369 /nfs/dbraw/zinc/72/53/69/484725369.db2.gz DYBMTMODFQDQLI-RVKKMQEKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCCO1 ZINC000621837322 484724665 /nfs/dbraw/zinc/72/46/65/484724665.db2.gz DYBMTMODFQDQLI-VKJFTORMSA-N 2 1 352.479 -0.057 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839590 484725597 /nfs/dbraw/zinc/72/55/97/484725597.db2.gz VFUMKSKHGJMGCL-DAYGRLMNSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839591 484724862 /nfs/dbraw/zinc/72/48/62/484724862.db2.gz VFUMKSKHGJMGCL-HDMKZQKVSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839592 484724633 /nfs/dbraw/zinc/72/46/33/484724633.db2.gz VFUMKSKHGJMGCL-IIDMSEBBSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839593 484725096 /nfs/dbraw/zinc/72/50/96/484725096.db2.gz VFUMKSKHGJMGCL-RKVPGOIHSA-N 2 1 352.479 -0.201 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839873 484724540 /nfs/dbraw/zinc/72/45/40/484724540.db2.gz ZVSDGMSPSBDYSZ-DOXZYTNZSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839873 484724536 /nfs/dbraw/zinc/72/45/36/484724536.db2.gz ZVSDGMSPSBDYSZ-DOXZYTNZSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839874 484725408 /nfs/dbraw/zinc/72/54/08/484725408.db2.gz ZVSDGMSPSBDYSZ-VCBZYWHSSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839874 484725401 /nfs/dbraw/zinc/72/54/01/484725401.db2.gz ZVSDGMSPSBDYSZ-VCBZYWHSSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839875 484725315 /nfs/dbraw/zinc/72/53/15/484725315.db2.gz ZVSDGMSPSBDYSZ-YZVOILCLSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839875 484725309 /nfs/dbraw/zinc/72/53/09/484725309.db2.gz ZVSDGMSPSBDYSZ-YZVOILCLSA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839876 484725637 /nfs/dbraw/zinc/72/56/37/484725637.db2.gz ZVSDGMSPSBDYSZ-ZRGWGRIASA-N 2 1 363.506 -0.389 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839876 484725630 /nfs/dbraw/zinc/72/56/30/484725630.db2.gz ZVSDGMSPSBDYSZ-ZRGWGRIASA-N 2 1 363.506 -0.389 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839923 484725470 /nfs/dbraw/zinc/72/54/70/484725470.db2.gz AKXSBMWIFGTMOH-GLJUWKHASA-N 2 1 365.478 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839924 484725210 /nfs/dbraw/zinc/72/52/10/484725210.db2.gz AKXSBMWIFGTMOH-HBUWYVDXSA-N 2 1 365.478 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839925 484724567 /nfs/dbraw/zinc/72/45/67/484724567.db2.gz AKXSBMWIFGTMOH-LBTNJELSSA-N 2 1 365.478 -0.970 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839926 484725079 /nfs/dbraw/zinc/72/50/79/484725079.db2.gz AKXSBMWIFGTMOH-QWQRMKEZSA-N 2 1 365.478 -0.970 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840128 484725279 /nfs/dbraw/zinc/72/52/79/484725279.db2.gz DKBIWMJJJRFATR-KBXCAEBGSA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840129 484724643 /nfs/dbraw/zinc/72/46/43/484724643.db2.gz DKBIWMJJJRFATR-KDOFPFPSSA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840130 484725297 /nfs/dbraw/zinc/72/52/97/484725297.db2.gz DKBIWMJJJRFATR-KSSFIOAISA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840131 484725167 /nfs/dbraw/zinc/72/51/67/484725167.db2.gz DKBIWMJJJRFATR-RDTXWAMCSA-N 2 1 351.495 -0.532 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000621840644 484724896 /nfs/dbraw/zinc/72/48/96/484724896.db2.gz LKZOZJGURNNJDF-BXWFABGCSA-N 2 1 365.522 -0.286 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000621840645 484724927 /nfs/dbraw/zinc/72/49/27/484724927.db2.gz LKZOZJGURNNJDF-GJYPPUQNSA-N 2 1 365.522 -0.286 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000621840646 484724655 /nfs/dbraw/zinc/72/46/55/484724655.db2.gz LKZOZJGURNNJDF-JTDSTZFVSA-N 2 1 365.522 -0.286 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000621840647 484724529 /nfs/dbraw/zinc/72/45/29/484724529.db2.gz LKZOZJGURNNJDF-TXPKVOOTSA-N 2 1 365.522 -0.286 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841241 484726680 /nfs/dbraw/zinc/72/66/80/484726680.db2.gz SGCQUGDUCZTVJX-KBXCAEBGSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841242 484726316 /nfs/dbraw/zinc/72/63/16/484726316.db2.gz SGCQUGDUCZTVJX-KDOFPFPSSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841243 484726516 /nfs/dbraw/zinc/72/65/16/484726516.db2.gz SGCQUGDUCZTVJX-KSSFIOAISA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841244 484726222 /nfs/dbraw/zinc/72/62/22/484726222.db2.gz SGCQUGDUCZTVJX-RDTXWAMCSA-N 2 1 351.495 -0.532 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843416 484726861 /nfs/dbraw/zinc/72/68/61/484726861.db2.gz FGKANNLWZHJXNG-APWZRJJASA-N 2 1 365.522 -0.140 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843417 484726123 /nfs/dbraw/zinc/72/61/23/484726123.db2.gz FGKANNLWZHJXNG-LPHOPBHVSA-N 2 1 365.522 -0.140 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843418 484726660 /nfs/dbraw/zinc/72/66/60/484726660.db2.gz FGKANNLWZHJXNG-QFBILLFUSA-N 2 1 365.522 -0.140 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843419 484726766 /nfs/dbraw/zinc/72/67/66/484726766.db2.gz FGKANNLWZHJXNG-VQIMIIECSA-N 2 1 365.522 -0.140 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844370 484726161 /nfs/dbraw/zinc/72/61/61/484726161.db2.gz QJGNFEVQFKBZQW-CRAIPNDOSA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844371 484726353 /nfs/dbraw/zinc/72/63/53/484726353.db2.gz QJGNFEVQFKBZQW-MAUKXSAKSA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844372 484726417 /nfs/dbraw/zinc/72/64/17/484726417.db2.gz QJGNFEVQFKBZQW-QAPCUYQASA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844373 484726645 /nfs/dbraw/zinc/72/66/45/484726645.db2.gz QJGNFEVQFKBZQW-YJBOKZPZSA-N 2 1 351.495 -0.530 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845255 484726381 /nfs/dbraw/zinc/72/63/81/484726381.db2.gz GNZCASJLNCWRJA-GJYPPUQNSA-N 2 1 365.522 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845256 484726084 /nfs/dbraw/zinc/72/60/84/484726084.db2.gz GNZCASJLNCWRJA-GPMSIDNRSA-N 2 1 365.522 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845257 484726401 /nfs/dbraw/zinc/72/64/01/484726401.db2.gz GNZCASJLNCWRJA-JTDSTZFVSA-N 2 1 365.522 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845258 484726807 /nfs/dbraw/zinc/72/68/07/484726807.db2.gz GNZCASJLNCWRJA-MDZRGWNJSA-N 2 1 365.522 -0.284 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000621845630 484726453 /nfs/dbraw/zinc/72/64/53/484726453.db2.gz MPIHGQVQZPXOEO-IIDMSEBBSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000621845631 484726736 /nfs/dbraw/zinc/72/67/36/484726736.db2.gz MPIHGQVQZPXOEO-RKVPGOIHSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000621845632 484726476 /nfs/dbraw/zinc/72/64/76/484726476.db2.gz MPIHGQVQZPXOEO-RVKKMQEKSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000621845633 484726276 /nfs/dbraw/zinc/72/62/76/484726276.db2.gz MPIHGQVQZPXOEO-VKJFTORMSA-N 2 1 351.495 -0.674 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026489 484757150 /nfs/dbraw/zinc/75/71/50/484757150.db2.gz LIPYQTBFOQTBSM-BEFAXECRSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026489 484757141 /nfs/dbraw/zinc/75/71/41/484757141.db2.gz LIPYQTBFOQTBSM-BEFAXECRSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026490 484757305 /nfs/dbraw/zinc/75/73/05/484757305.db2.gz LIPYQTBFOQTBSM-DNVCBOLYSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026490 484757296 /nfs/dbraw/zinc/75/72/96/484757296.db2.gz LIPYQTBFOQTBSM-DNVCBOLYSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026491 484756910 /nfs/dbraw/zinc/75/69/10/484756910.db2.gz LIPYQTBFOQTBSM-HNAYVOBHSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026491 484756904 /nfs/dbraw/zinc/75/69/04/484756904.db2.gz LIPYQTBFOQTBSM-HNAYVOBHSA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026492 484757409 /nfs/dbraw/zinc/75/74/09/484757409.db2.gz LIPYQTBFOQTBSM-KXBFYZLASA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026492 484757400 /nfs/dbraw/zinc/75/74/00/484757400.db2.gz LIPYQTBFOQTBSM-KXBFYZLASA-N 2 1 365.522 -0.189 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027602 484758258 /nfs/dbraw/zinc/75/82/58/484758258.db2.gz FDFPXGYASFOHFA-CRAIPNDOSA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027603 484758787 /nfs/dbraw/zinc/75/87/87/484758787.db2.gz FDFPXGYASFOHFA-MAUKXSAKSA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027604 484758334 /nfs/dbraw/zinc/75/83/34/484758334.db2.gz FDFPXGYASFOHFA-QAPCUYQASA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027605 484759170 /nfs/dbraw/zinc/75/91/70/484759170.db2.gz FDFPXGYASFOHFA-YJBOKZPZSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028295 484759036 /nfs/dbraw/zinc/75/90/36/484759036.db2.gz OZWHFZVTIQNZGX-BXWFABGCSA-N 2 1 363.506 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028296 484758765 /nfs/dbraw/zinc/75/87/65/484758765.db2.gz OZWHFZVTIQNZGX-GJYPPUQNSA-N 2 1 363.506 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028297 484758639 /nfs/dbraw/zinc/75/86/39/484758639.db2.gz OZWHFZVTIQNZGX-JTDSTZFVSA-N 2 1 363.506 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028298 484758578 /nfs/dbraw/zinc/75/85/78/484758578.db2.gz OZWHFZVTIQNZGX-TXPKVOOTSA-N 2 1 363.506 -0.435 20 0 FBADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000622028787 484759188 /nfs/dbraw/zinc/75/91/88/484759188.db2.gz WGYFZDSEENFSLI-KBXCAEBGSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000622028788 484758992 /nfs/dbraw/zinc/75/89/92/484758992.db2.gz WGYFZDSEENFSLI-KDOFPFPSSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000622028814 484759127 /nfs/dbraw/zinc/75/91/27/484759127.db2.gz WGYFZDSEENFSLI-KSSFIOAISA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000622028815 484759030 /nfs/dbraw/zinc/75/90/30/484759030.db2.gz WGYFZDSEENFSLI-RDTXWAMCSA-N 2 1 350.463 -0.351 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029080 484758511 /nfs/dbraw/zinc/75/85/11/484758511.db2.gz ZWYCJEYNTQIRGD-KBXCAEBGSA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029081 484758460 /nfs/dbraw/zinc/75/84/60/484758460.db2.gz ZWYCJEYNTQIRGD-KDOFPFPSSA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029082 484759000 /nfs/dbraw/zinc/75/90/00/484759000.db2.gz ZWYCJEYNTQIRGD-KSSFIOAISA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029083 484759009 /nfs/dbraw/zinc/75/90/09/484759009.db2.gz ZWYCJEYNTQIRGD-RDTXWAMCSA-N 2 1 352.479 -0.369 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000622029309 484759054 /nfs/dbraw/zinc/75/90/54/484759054.db2.gz DQZYPUIOIMETCO-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000622029309 484759050 /nfs/dbraw/zinc/75/90/50/484759050.db2.gz DQZYPUIOIMETCO-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000622029310 484758941 /nfs/dbraw/zinc/75/89/41/484758941.db2.gz DQZYPUIOIMETCO-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000622029310 484758937 /nfs/dbraw/zinc/75/89/37/484758937.db2.gz DQZYPUIOIMETCO-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000622029311 484758236 /nfs/dbraw/zinc/75/82/36/484758236.db2.gz DQZYPUIOIMETCO-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000622029311 484758232 /nfs/dbraw/zinc/75/82/32/484758232.db2.gz DQZYPUIOIMETCO-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000622029312 484759044 /nfs/dbraw/zinc/75/90/44/484759044.db2.gz DQZYPUIOIMETCO-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000622029312 484759043 /nfs/dbraw/zinc/75/90/43/484759043.db2.gz DQZYPUIOIMETCO-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030221 484760472 /nfs/dbraw/zinc/76/04/72/484760472.db2.gz SDUHJWDTAATJTA-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030221 484760470 /nfs/dbraw/zinc/76/04/70/484760470.db2.gz SDUHJWDTAATJTA-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030222 484759996 /nfs/dbraw/zinc/75/99/96/484759996.db2.gz SDUHJWDTAATJTA-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030222 484759991 /nfs/dbraw/zinc/75/99/91/484759991.db2.gz SDUHJWDTAATJTA-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030223 484760319 /nfs/dbraw/zinc/76/03/19/484760319.db2.gz SDUHJWDTAATJTA-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030223 484760313 /nfs/dbraw/zinc/76/03/13/484760313.db2.gz SDUHJWDTAATJTA-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030224 484760303 /nfs/dbraw/zinc/76/03/03/484760303.db2.gz SDUHJWDTAATJTA-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030224 484760297 /nfs/dbraw/zinc/76/02/97/484760297.db2.gz SDUHJWDTAATJTA-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000622030400 484759702 /nfs/dbraw/zinc/75/97/02/484759702.db2.gz VVFYEPBYNIWDIM-DAYGRLMNSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000622030401 484760452 /nfs/dbraw/zinc/76/04/52/484760452.db2.gz VVFYEPBYNIWDIM-MPGHIAIKSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000622030402 484760350 /nfs/dbraw/zinc/76/03/50/484760350.db2.gz VVFYEPBYNIWDIM-RKVPGOIHSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000622030403 484759831 /nfs/dbraw/zinc/75/98/31/484759831.db2.gz VVFYEPBYNIWDIM-VKJFTORMSA-N 2 1 350.463 -0.493 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)CC[NH+](C)C ZINC000622030981 484759810 /nfs/dbraw/zinc/75/98/10/484759810.db2.gz FJAKTHLNYDTQBA-CRAIPNDOSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030981 484759804 /nfs/dbraw/zinc/75/98/04/484759804.db2.gz FJAKTHLNYDTQBA-CRAIPNDOSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)CC[NH+](C)C ZINC000622030982 484760413 /nfs/dbraw/zinc/76/04/13/484760413.db2.gz FJAKTHLNYDTQBA-MAUKXSAKSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030982 484760407 /nfs/dbraw/zinc/76/04/07/484760407.db2.gz FJAKTHLNYDTQBA-MAUKXSAKSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)CC[NH+](C)C ZINC000622030983 484759667 /nfs/dbraw/zinc/75/96/67/484759667.db2.gz FJAKTHLNYDTQBA-QAPCUYQASA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030983 484759664 /nfs/dbraw/zinc/75/96/64/484759664.db2.gz FJAKTHLNYDTQBA-QAPCUYQASA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)CC[NH+](C)C ZINC000622030984 484760014 /nfs/dbraw/zinc/76/00/14/484760014.db2.gz FJAKTHLNYDTQBA-YJBOKZPZSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030984 484760010 /nfs/dbraw/zinc/76/00/10/484760010.db2.gz FJAKTHLNYDTQBA-YJBOKZPZSA-N 2 1 353.511 -0.332 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031588 484761178 /nfs/dbraw/zinc/76/11/78/484761178.db2.gz PTYXUGNGSKPAEQ-KBXCAEBGSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031589 484761209 /nfs/dbraw/zinc/76/12/09/484761209.db2.gz PTYXUGNGSKPAEQ-KDOFPFPSSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031590 484761819 /nfs/dbraw/zinc/76/18/19/484761819.db2.gz PTYXUGNGSKPAEQ-KSSFIOAISA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031591 484761697 /nfs/dbraw/zinc/76/16/97/484761697.db2.gz PTYXUGNGSKPAEQ-RDTXWAMCSA-N 2 1 352.479 -0.105 20 0 FBADMP CN1CCN(c2ccc(CNC(=O)NC[C@H]3COCCN3C)cn2)CC1 ZINC000623402172 484107187 /nfs/dbraw/zinc/10/71/87/484107187.db2.gz AMQKVJHKLILFNK-INIZCTEOSA-N 2 1 362.478 -0.037 20 0 FBADMP CN1CCN(c2ccc(CNC(=O)NC[C@@H]3COCCN3C)cn2)CC1 ZINC000623402173 484107025 /nfs/dbraw/zinc/10/70/25/484107025.db2.gz AMQKVJHKLILFNK-MRXNPFEDSA-N 2 1 362.478 -0.037 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCN3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000623618759 484220288 /nfs/dbraw/zinc/22/02/88/484220288.db2.gz CZQWBNLODSQNMB-INIZCTEOSA-N 2 1 361.494 -0.342 20 0 FBADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623857650 483839237 /nfs/dbraw/zinc/83/92/37/483839237.db2.gz STJGIXLUYXVHPU-UHFFFAOYSA-N 2 1 350.471 -0.239 20 0 FBADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623882734 484837913 /nfs/dbraw/zinc/83/79/13/484837913.db2.gz GSBKTPNMOZYQJY-UHFFFAOYSA-N 2 1 350.471 -0.383 20 0 FBADMP Nc1nc(N)[nH+]c(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000623902119 484839638 /nfs/dbraw/zinc/83/96/38/484839638.db2.gz AYTWYRACKURDPD-UHFFFAOYSA-N 2 1 362.482 -0.095 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)nc(N)[nH+]3)c2)C1 ZINC000623955400 484840775 /nfs/dbraw/zinc/84/07/75/484840775.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 2 1 356.434 -0.572 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)nc(N)[nH+]3)c2)C1 ZINC000623955400 484840773 /nfs/dbraw/zinc/84/07/73/484840773.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 2 1 356.434 -0.572 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)[nH+]c(N)n3)c2)C1 ZINC000623955400 484840769 /nfs/dbraw/zinc/84/07/69/484840769.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 2 1 356.434 -0.572 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)nc(N)[nH+]3)c2)C1 ZINC000623955401 484840579 /nfs/dbraw/zinc/84/05/79/484840579.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 2 1 356.434 -0.572 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)nc(N)[nH+]3)c2)C1 ZINC000623955401 484840573 /nfs/dbraw/zinc/84/05/73/484840573.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 2 1 356.434 -0.572 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)[nH+]c(N)n3)c2)C1 ZINC000623955401 484840565 /nfs/dbraw/zinc/84/05/65/484840565.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 2 1 356.434 -0.572 20 0 FBADMP C[NH+](C)CCOc1ccccc1N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623985916 484845177 /nfs/dbraw/zinc/84/51/77/484845177.db2.gz GWJNEUFZSFLQQL-UHFFFAOYSA-N 2 1 358.450 -0.036 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000624650374 483431970 /nfs/dbraw/zinc/43/19/70/483431970.db2.gz MEEKRXJEGMACCW-KBPBESRZSA-N 2 1 353.467 -0.151 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000624650375 483432807 /nfs/dbraw/zinc/43/28/07/483432807.db2.gz MEEKRXJEGMACCW-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000624650376 483431825 /nfs/dbraw/zinc/43/18/25/483431825.db2.gz MEEKRXJEGMACCW-UONOGXRCSA-N 2 1 353.467 -0.151 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000624650377 483431901 /nfs/dbraw/zinc/43/19/01/483431901.db2.gz MEEKRXJEGMACCW-ZIAGYGMSSA-N 2 1 353.467 -0.151 20 0 FBADMP Cc1c(NCC[NH+]2CC[C@@H](O)C2)ncnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624677824 484200396 /nfs/dbraw/zinc/20/03/96/484200396.db2.gz FMFXUMQFKAMSFP-HUUCEWRRSA-N 2 1 350.467 -0.258 20 0 FBADMP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)cc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624681086 484461794 /nfs/dbraw/zinc/46/17/94/484461794.db2.gz NAUPPPLLEAQPAL-HUUCEWRRSA-N 2 1 350.467 -0.258 20 0 FBADMP Cc1nc(NCC[NH+]2CC[C@H](O)C2)cc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000624774054 484460829 /nfs/dbraw/zinc/46/08/29/484460829.db2.gz NAUPPPLLEAQPAL-GJZGRUSLSA-N 2 1 350.467 -0.258 20 0 FBADMP Cc1c(NCC[NH+]2CC[C@H](O)C2)ncnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624775773 484200030 /nfs/dbraw/zinc/20/00/30/484200030.db2.gz FMFXUMQFKAMSFP-GJZGRUSLSA-N 2 1 350.467 -0.258 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024149 483451169 /nfs/dbraw/zinc/45/11/69/483451169.db2.gz IMSIGNZHEQKPFV-AWEZNQCLSA-N 2 1 353.467 -0.245 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024162 483451212 /nfs/dbraw/zinc/45/12/12/483451212.db2.gz IMSIGNZHEQKPFV-CQSZACIVSA-N 2 1 353.467 -0.245 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000625673901 483739111 /nfs/dbraw/zinc/73/91/11/483739111.db2.gz WEQRZNMCVPAHDZ-HRCADAONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000625673901 483739109 /nfs/dbraw/zinc/73/91/09/483739109.db2.gz WEQRZNMCVPAHDZ-HRCADAONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000625673901 483739107 /nfs/dbraw/zinc/73/91/07/483739107.db2.gz WEQRZNMCVPAHDZ-HRCADAONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000625673904 483739175 /nfs/dbraw/zinc/73/91/75/483739175.db2.gz WEQRZNMCVPAHDZ-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000625673904 483739173 /nfs/dbraw/zinc/73/91/73/483739173.db2.gz WEQRZNMCVPAHDZ-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000625673904 483739171 /nfs/dbraw/zinc/73/91/71/483739171.db2.gz WEQRZNMCVPAHDZ-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP CC(CC[NH+]1CCO[C@@H](CC(N)=O)C1)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076342 483873138 /nfs/dbraw/zinc/87/31/38/483873138.db2.gz KPEXVPCAZWRMOE-HOTGVXAUSA-N 2 1 370.494 -0.445 20 0 FBADMP CC(CC[NH+]1CCO[C@H](CC(N)=O)C1)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076343 483873076 /nfs/dbraw/zinc/87/30/76/483873076.db2.gz KPEXVPCAZWRMOE-HZPDHXFCSA-N 2 1 370.494 -0.445 20 0 FBADMP C[C@H](CC[NH+]1CCO[C@@H](CC(N)=O)C1)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076344 483873147 /nfs/dbraw/zinc/87/31/47/483873147.db2.gz KPEXVPCAZWRMOE-MUJYYYPQSA-N 2 1 370.494 -0.445 20 0 FBADMP C[C@H](CC[NH+]1CCO[C@@H](CC(N)=O)C1)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076344 483873146 /nfs/dbraw/zinc/87/31/46/483873146.db2.gz KPEXVPCAZWRMOE-MUJYYYPQSA-N 2 1 370.494 -0.445 20 0 FBADMP C[C@@H](CC[NH+]1CCO[C@H](CC(N)=O)C1)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076344 483873145 /nfs/dbraw/zinc/87/31/45/483873145.db2.gz KPEXVPCAZWRMOE-MUJYYYPQSA-N 2 1 370.494 -0.445 20 0 FBADMP NC(=O)C[C@@H]1C[N@@H+](CCCCC[NH+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078575 483872996 /nfs/dbraw/zinc/87/29/96/483872996.db2.gz KIBPYVARXPDEDG-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1C[N@H+](CCCCC[NH+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078575 483872993 /nfs/dbraw/zinc/87/29/93/483872993.db2.gz KIBPYVARXPDEDG-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078575 483872992 /nfs/dbraw/zinc/87/29/92/483872992.db2.gz KIBPYVARXPDEDG-GASCZTMLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078576 483873116 /nfs/dbraw/zinc/87/31/16/483873116.db2.gz KIBPYVARXPDEDG-GJZGRUSLSA-N 2 1 356.467 -0.691 20 0 FBADMP NC(=O)C[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](CC(N)=O)C2)CCO1 ZINC000626078577 483873090 /nfs/dbraw/zinc/87/30/90/483873090.db2.gz KIBPYVARXPDEDG-HUUCEWRRSA-N 2 1 356.467 -0.691 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000626169155 484331131 /nfs/dbraw/zinc/33/11/31/484331131.db2.gz GXPMVEFGPKZRLV-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000626169155 484331129 /nfs/dbraw/zinc/33/11/29/484331129.db2.gz GXPMVEFGPKZRLV-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000626169156 484332063 /nfs/dbraw/zinc/33/20/63/484332063.db2.gz GXPMVEFGPKZRLV-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000626169156 484332058 /nfs/dbraw/zinc/33/20/58/484332058.db2.gz GXPMVEFGPKZRLV-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171202 484376103 /nfs/dbraw/zinc/37/61/03/484376103.db2.gz WLNROWRAMHDJKZ-AWEZNQCLSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171202 484376096 /nfs/dbraw/zinc/37/60/96/484376096.db2.gz WLNROWRAMHDJKZ-AWEZNQCLSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171203 484375913 /nfs/dbraw/zinc/37/59/13/484375913.db2.gz WLNROWRAMHDJKZ-CQSZACIVSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171203 484375911 /nfs/dbraw/zinc/37/59/11/484375911.db2.gz WLNROWRAMHDJKZ-CQSZACIVSA-N 2 1 360.524 -0.152 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000626405539 484106360 /nfs/dbraw/zinc/10/63/60/484106360.db2.gz XDJWKLFMFPGHMQ-ZDUSSCGKSA-N 2 1 351.455 -0.094 20 0 FBADMP C[NH+](C)CCn1nccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000626573598 484772010 /nfs/dbraw/zinc/77/20/10/484772010.db2.gz COZKBPMQUNYVJE-ZDUSSCGKSA-N 2 1 351.455 -0.094 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626788653 485155308 /nfs/dbraw/zinc/15/53/08/485155308.db2.gz RWZXUYJKJXBHCB-UHFFFAOYSA-N 2 1 362.430 -0.054 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626804763 485170852 /nfs/dbraw/zinc/17/08/52/485170852.db2.gz VBSGCAGTNDJADG-UHFFFAOYSA-N 2 1 350.419 -0.199 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626805487 485171890 /nfs/dbraw/zinc/17/18/90/485171890.db2.gz MTCQBQXNQKTKQY-HNNXBMFYSA-N 2 1 362.430 -0.056 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626805488 485171772 /nfs/dbraw/zinc/17/17/72/485171772.db2.gz MTCQBQXNQKTKQY-OAHLLOKOSA-N 2 1 362.430 -0.056 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@@H+](C)CCO1 ZINC000626809739 485176500 /nfs/dbraw/zinc/17/65/00/485176500.db2.gz HUFJWBVPLURDAC-BLLLJJGKSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@H+](C)CCO1 ZINC000626809739 485176494 /nfs/dbraw/zinc/17/64/94/485176494.db2.gz HUFJWBVPLURDAC-BLLLJJGKSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000626809740 485176745 /nfs/dbraw/zinc/17/67/45/485176745.db2.gz HUFJWBVPLURDAC-LRDDRELGSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[N@H+](C)CCO1 ZINC000626809740 485176739 /nfs/dbraw/zinc/17/67/39/485176739.db2.gz HUFJWBVPLURDAC-LRDDRELGSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@@H+](C)CCO1 ZINC000626809741 485176445 /nfs/dbraw/zinc/17/64/45/485176445.db2.gz HUFJWBVPLURDAC-MLGOLLRUSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@H+](C)CCO1 ZINC000626809741 485176444 /nfs/dbraw/zinc/17/64/44/485176444.db2.gz HUFJWBVPLURDAC-MLGOLLRUSA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000626809742 485177118 /nfs/dbraw/zinc/17/71/18/485177118.db2.gz HUFJWBVPLURDAC-WBMJQRKESA-N 2 1 362.430 -0.058 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[N@H+](C)CCO1 ZINC000626809742 485177111 /nfs/dbraw/zinc/17/71/11/485177111.db2.gz HUFJWBVPLURDAC-WBMJQRKESA-N 2 1 362.430 -0.058 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626814876 485178429 /nfs/dbraw/zinc/17/84/29/485178429.db2.gz UWIDTVBKUAWSJA-UHFFFAOYSA-N 2 1 350.419 -0.463 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626815642 485181263 /nfs/dbraw/zinc/18/12/63/485181263.db2.gz NBUBLMHSKFVNSZ-UHFFFAOYSA-N 2 1 362.430 -0.054 20 0 FBADMP O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626815642 485181257 /nfs/dbraw/zinc/18/12/57/485181257.db2.gz NBUBLMHSKFVNSZ-UHFFFAOYSA-N 2 1 362.430 -0.054 20 0 FBADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000626841459 485240425 /nfs/dbraw/zinc/24/04/25/485240425.db2.gz PSHRDOUVTZTCDL-LSDHHAIUSA-N 2 1 360.414 -0.616 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000626848170 485268900 /nfs/dbraw/zinc/26/89/00/485268900.db2.gz JVRKLHVEMAXGPU-INIZCTEOSA-N 2 1 373.457 -0.273 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000626848182 485269063 /nfs/dbraw/zinc/26/90/63/485269063.db2.gz KBZRVQFEPZPRHE-INIZCTEOSA-N 2 1 373.457 -0.273 20 0 FBADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848434 485269919 /nfs/dbraw/zinc/26/99/19/485269919.db2.gz PUBWTEBWQUYITM-HNNXBMFYSA-N 2 1 361.446 -0.200 20 0 FBADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000626848803 485270309 /nfs/dbraw/zinc/27/03/09/485270309.db2.gz WCIGZKYYPWKCIQ-HNNXBMFYSA-N 2 1 361.446 -0.200 20 0 FBADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000626849008 485269958 /nfs/dbraw/zinc/26/99/58/485269958.db2.gz ZTLUWDBKVDFGKU-HNNXBMFYSA-N 2 1 361.446 -0.200 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000626854744 485278336 /nfs/dbraw/zinc/27/83/36/485278336.db2.gz XXLARYXWIHBOFC-UHFFFAOYSA-N 2 1 361.446 -0.180 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000626895730 485312021 /nfs/dbraw/zinc/31/20/21/485312021.db2.gz MNTBPRNFXNBYHV-UHFFFAOYSA-N 2 1 365.434 -0.441 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000626899931 485315531 /nfs/dbraw/zinc/31/55/31/485315531.db2.gz RILDMGXJMDWDNK-GFCCVEGCSA-N 2 1 350.394 -0.407 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000626909268 485320753 /nfs/dbraw/zinc/32/07/53/485320753.db2.gz JPCURDNSSDDBSR-XJKSGUPXSA-N 2 1 373.457 -0.121 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000626911724 485321568 /nfs/dbraw/zinc/32/15/68/485321568.db2.gz BMXYFOYGJHMKEZ-MRXNPFEDSA-N 2 1 373.457 -0.580 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000626912565 485321937 /nfs/dbraw/zinc/32/19/37/485321937.db2.gz OKIPBBGJIIZGDB-OAHLLOKOSA-N 2 1 359.430 -0.509 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000626915591 485322752 /nfs/dbraw/zinc/32/27/52/485322752.db2.gz RILDMGXJMDWDNK-LBPRGKRZSA-N 2 1 350.394 -0.407 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626930074 485334038 /nfs/dbraw/zinc/33/40/38/485334038.db2.gz JXNULDMVHCOAFV-HNNXBMFYSA-N 2 1 363.466 -0.724 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626930075 485334188 /nfs/dbraw/zinc/33/41/88/485334188.db2.gz JXNULDMVHCOAFV-OAHLLOKOSA-N 2 1 363.466 -0.724 20 0 FBADMP CN(CCOCC[NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000626930810 485334325 /nfs/dbraw/zinc/33/43/25/485334325.db2.gz YHSKHKAUQXXDMH-UHFFFAOYSA-N 2 1 365.482 -0.395 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626937818 485336880 /nfs/dbraw/zinc/33/68/80/485336880.db2.gz VELRZBXNZDORKT-UHFFFAOYSA-N 2 1 355.483 -0.216 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938146 485337102 /nfs/dbraw/zinc/33/71/02/485337102.db2.gz BBFLCCCFNWKZTN-UHFFFAOYSA-N 2 1 370.498 -0.693 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938247 485336867 /nfs/dbraw/zinc/33/68/67/485336867.db2.gz OJHFDVXWQLZOMG-CVEARBPZSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938248 485336907 /nfs/dbraw/zinc/33/69/07/485336907.db2.gz OJHFDVXWQLZOMG-HOTGVXAUSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938249 485336992 /nfs/dbraw/zinc/33/69/92/485336992.db2.gz OJHFDVXWQLZOMG-HZPDHXFCSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938250 485337308 /nfs/dbraw/zinc/33/73/08/485337308.db2.gz OJHFDVXWQLZOMG-JKSUJKDBSA-N 2 1 364.494 -0.034 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626958261 483886658 /nfs/dbraw/zinc/88/66/58/483886658.db2.gz HLDHHCXIUMEJQC-INIZCTEOSA-N 2 1 362.478 -0.119 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626958262 483886628 /nfs/dbraw/zinc/88/66/28/483886628.db2.gz HLDHHCXIUMEJQC-MRXNPFEDSA-N 2 1 362.478 -0.119 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964157 484213757 /nfs/dbraw/zinc/21/37/57/484213757.db2.gz NDYVKHYKXKPLEC-AWEZNQCLSA-N 2 1 355.483 -0.264 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964158 484211797 /nfs/dbraw/zinc/21/17/97/484211797.db2.gz NDYVKHYKXKPLEC-CQSZACIVSA-N 2 1 355.483 -0.264 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964195 484214903 /nfs/dbraw/zinc/21/49/03/484214903.db2.gz OFLXXHCDTJORPY-AWEZNQCLSA-N 2 1 355.483 -0.264 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964196 484214986 /nfs/dbraw/zinc/21/49/86/484214986.db2.gz OFLXXHCDTJORPY-CQSZACIVSA-N 2 1 355.483 -0.264 20 0 FBADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000626964483 484213108 /nfs/dbraw/zinc/21/31/08/484213108.db2.gz GTZODWSSBDUZGA-UHFFFAOYSA-N 2 1 352.483 -0.177 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626977253 484221938 /nfs/dbraw/zinc/22/19/38/484221938.db2.gz XKMFDAKCMNDUFM-UHFFFAOYSA-N 2 1 370.523 -0.612 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626979564 484223863 /nfs/dbraw/zinc/22/38/63/484223863.db2.gz CWANRPBFAYTSNP-INIZCTEOSA-N 2 1 357.499 -0.730 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626979565 484223618 /nfs/dbraw/zinc/22/36/18/484223618.db2.gz CWANRPBFAYTSNP-MRXNPFEDSA-N 2 1 357.499 -0.730 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626981053 484223290 /nfs/dbraw/zinc/22/32/90/484223290.db2.gz XYJQBWBJLXMQEG-CVEARBPZSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626981056 484223473 /nfs/dbraw/zinc/22/34/73/484223473.db2.gz XYJQBWBJLXMQEG-HOTGVXAUSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626981059 484222973 /nfs/dbraw/zinc/22/29/73/484222973.db2.gz XYJQBWBJLXMQEG-HZPDHXFCSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626981061 484223239 /nfs/dbraw/zinc/22/32/39/484223239.db2.gz XYJQBWBJLXMQEG-JKSUJKDBSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626982233 484226038 /nfs/dbraw/zinc/22/60/38/484226038.db2.gz CZJUXMFXODSYTD-INIZCTEOSA-N 2 1 364.494 -0.177 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626982234 484226352 /nfs/dbraw/zinc/22/63/52/484226352.db2.gz CZJUXMFXODSYTD-MRXNPFEDSA-N 2 1 364.494 -0.177 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626986895 484232906 /nfs/dbraw/zinc/23/29/06/484232906.db2.gz PVQYYWAVKDFJPC-UHFFFAOYSA-N 2 1 370.498 -0.693 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000627034050 484287517 /nfs/dbraw/zinc/28/75/17/484287517.db2.gz CCRLNTDCDXPFSY-MQVJKMGUSA-N 2 1 369.510 -0.053 20 0 FBADMP C[NH2+]CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000627034791 484288023 /nfs/dbraw/zinc/28/80/23/484288023.db2.gz PWDXWCYOGSXFBS-GOOCMWNKSA-N 2 1 355.483 -0.395 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000627060306 484306569 /nfs/dbraw/zinc/30/65/69/484306569.db2.gz UBBAVNWATOSKFH-UHFFFAOYSA-N 2 1 358.483 -0.255 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091641 484332380 /nfs/dbraw/zinc/33/23/80/484332380.db2.gz VWDHYRWPLPQOBG-NEPJUHHUSA-N 2 1 353.389 -0.812 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091642 484332644 /nfs/dbraw/zinc/33/26/44/484332644.db2.gz VWDHYRWPLPQOBG-NWDGAFQWSA-N 2 1 353.389 -0.812 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091643 484332696 /nfs/dbraw/zinc/33/26/96/484332696.db2.gz VWDHYRWPLPQOBG-RYUDHWBXSA-N 2 1 353.389 -0.812 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091644 484332483 /nfs/dbraw/zinc/33/24/83/484332483.db2.gz VWDHYRWPLPQOBG-VXGBXAGGSA-N 2 1 353.389 -0.812 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627115594 484343912 /nfs/dbraw/zinc/34/39/12/484343912.db2.gz CLVUPVMXZRQNJX-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627115601 484343757 /nfs/dbraw/zinc/34/37/57/484343757.db2.gz CLVUPVMXZRQNJX-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627152422 484362222 /nfs/dbraw/zinc/36/22/22/484362222.db2.gz WZBYNXBMXVVDCF-AWEZNQCLSA-N 2 1 353.467 -0.558 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627152423 484361761 /nfs/dbraw/zinc/36/17/61/484361761.db2.gz WZBYNXBMXVVDCF-CQSZACIVSA-N 2 1 353.467 -0.558 20 0 FBADMP C[NH2+]CCOCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000627172062 484370672 /nfs/dbraw/zinc/37/06/72/484370672.db2.gz QPZSNOMYOCZGLM-QGZVFWFLSA-N 2 1 350.463 -0.059 20 0 FBADMP C[NH2+]CCOCCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000627176000 484370748 /nfs/dbraw/zinc/37/07/48/484370748.db2.gz GDOLBHSQEGMGNW-UHFFFAOYSA-N 2 1 369.510 -0.192 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627178540 484372348 /nfs/dbraw/zinc/37/23/48/484372348.db2.gz WQCGKOVZKORNCW-UHFFFAOYSA-N 2 1 357.499 -0.192 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627178540 484372341 /nfs/dbraw/zinc/37/23/41/484372341.db2.gz WQCGKOVZKORNCW-UHFFFAOYSA-N 2 1 357.499 -0.192 20 0 FBADMP C[NH2+]CCOCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000627178702 484372363 /nfs/dbraw/zinc/37/23/63/484372363.db2.gz YJMXVOXODGHSGD-UHFFFAOYSA-N 2 1 355.483 -0.582 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211183 484400610 /nfs/dbraw/zinc/40/06/10/484400610.db2.gz FGNVUVATMPRDHS-UHFFFAOYSA-N 2 1 357.499 -0.063 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211183 484400604 /nfs/dbraw/zinc/40/06/04/484400604.db2.gz FGNVUVATMPRDHS-UHFFFAOYSA-N 2 1 357.499 -0.063 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627211887 484399820 /nfs/dbraw/zinc/39/98/20/484399820.db2.gz QPDWSKCHXJXXCK-UHFFFAOYSA-N 2 1 355.483 -0.453 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627213257 484401375 /nfs/dbraw/zinc/40/13/75/484401375.db2.gz VPQPOIRTFFAQDR-UHFFFAOYSA-N 2 1 369.510 -0.063 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627288344 484476893 /nfs/dbraw/zinc/47/68/93/484476893.db2.gz UJNXZNMWIAZJOY-AWEZNQCLSA-N 2 1 365.478 -0.944 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627288345 484476629 /nfs/dbraw/zinc/47/66/29/484476629.db2.gz UJNXZNMWIAZJOY-CQSZACIVSA-N 2 1 365.478 -0.944 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000627288418 484476241 /nfs/dbraw/zinc/47/62/41/484476241.db2.gz WZBWTOHZNWYNHU-HNNXBMFYSA-N 2 1 367.494 -0.888 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000627288419 484476715 /nfs/dbraw/zinc/47/67/15/484476715.db2.gz WZBWTOHZNWYNHU-OAHLLOKOSA-N 2 1 367.494 -0.888 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000627290046 484493170 /nfs/dbraw/zinc/49/31/70/484493170.db2.gz CAZCERNXPZPWLD-UHFFFAOYSA-N 2 1 370.494 -0.429 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000627290569 484492340 /nfs/dbraw/zinc/49/23/40/484492340.db2.gz UFVIZHAMQFPZTD-UHFFFAOYSA-N 2 1 370.494 -0.381 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000627290675 484492911 /nfs/dbraw/zinc/49/29/11/484492911.db2.gz XPBCIIHSHDEZML-UHFFFAOYSA-N 2 1 370.494 -0.510 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000627290957 484493114 /nfs/dbraw/zinc/49/31/14/484493114.db2.gz GTLINRCKNVJKTB-AWEZNQCLSA-N 2 1 352.435 -0.034 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000627290958 484492586 /nfs/dbraw/zinc/49/25/86/484492586.db2.gz GTLINRCKNVJKTB-CQSZACIVSA-N 2 1 352.435 -0.034 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000627296777 484502408 /nfs/dbraw/zinc/50/24/08/484502408.db2.gz SFASIFRDMKPAAL-IAOVAPTHSA-N 2 1 360.458 -0.264 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000627296778 484502100 /nfs/dbraw/zinc/50/21/00/484502100.db2.gz SFASIFRDMKPAAL-RRQGHBQHSA-N 2 1 360.458 -0.264 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627300895 484575081 /nfs/dbraw/zinc/57/50/81/484575081.db2.gz ORUYNZDNHGYQMT-CVEARBPZSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627300896 484574328 /nfs/dbraw/zinc/57/43/28/484574328.db2.gz ORUYNZDNHGYQMT-HOTGVXAUSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627300897 484575049 /nfs/dbraw/zinc/57/50/49/484575049.db2.gz ORUYNZDNHGYQMT-HZPDHXFCSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627300898 484575094 /nfs/dbraw/zinc/57/50/94/484575094.db2.gz ORUYNZDNHGYQMT-JKSUJKDBSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627301113 484576436 /nfs/dbraw/zinc/57/64/36/484576436.db2.gz VGBROAAKEHMKAV-LZQZEXGQSA-N 2 1 366.506 -0.083 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627301114 484576026 /nfs/dbraw/zinc/57/60/26/484576026.db2.gz VGBROAAKEHMKAV-ZYSHUDEJSA-N 2 1 366.506 -0.083 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627301181 484576690 /nfs/dbraw/zinc/57/66/90/484576690.db2.gz XDRAQQAXCZTWJC-CABCVRRESA-N 2 1 352.479 -0.140 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627301182 484576413 /nfs/dbraw/zinc/57/64/13/484576413.db2.gz XDRAQQAXCZTWJC-GJZGRUSLSA-N 2 1 352.479 -0.140 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627301183 484575481 /nfs/dbraw/zinc/57/54/81/484575481.db2.gz XDRAQQAXCZTWJC-HUUCEWRRSA-N 2 1 352.479 -0.140 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627301184 484575524 /nfs/dbraw/zinc/57/55/24/484575524.db2.gz XDRAQQAXCZTWJC-LSDHHAIUSA-N 2 1 352.479 -0.140 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627301245 484578308 /nfs/dbraw/zinc/57/83/08/484578308.db2.gz ZBMAFSYNHDCLFI-AWEZNQCLSA-N 2 1 356.467 -0.917 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627301246 484578076 /nfs/dbraw/zinc/57/80/76/484578076.db2.gz ZBMAFSYNHDCLFI-CQSZACIVSA-N 2 1 356.467 -0.917 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312186 484649040 /nfs/dbraw/zinc/64/90/40/484649040.db2.gz RPULZRXKICLZHU-QLFBSQMISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312188 484648003 /nfs/dbraw/zinc/64/80/03/484648003.db2.gz RPULZRXKICLZHU-ZNMIVQPWSA-N 2 1 354.495 -0.036 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627313618 484656324 /nfs/dbraw/zinc/65/63/24/484656324.db2.gz JJVVMTLHHLNWTA-JYJNAYRXSA-N 2 1 370.494 -0.656 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627313619 484656437 /nfs/dbraw/zinc/65/64/37/484656437.db2.gz JJVVMTLHHLNWTA-OAGGEKHMSA-N 2 1 370.494 -0.656 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627313620 484655506 /nfs/dbraw/zinc/65/55/06/484655506.db2.gz JJVVMTLHHLNWTA-PMPSAXMXSA-N 2 1 370.494 -0.656 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627313621 484655669 /nfs/dbraw/zinc/65/56/69/484655669.db2.gz JJVVMTLHHLNWTA-XHSDSOJGSA-N 2 1 370.494 -0.656 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313681 484655633 /nfs/dbraw/zinc/65/56/33/484655633.db2.gz KNKIURLIBCDIOZ-CWRNSKLLSA-N 2 1 351.495 -0.472 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313681 484655628 /nfs/dbraw/zinc/65/56/28/484655628.db2.gz KNKIURLIBCDIOZ-CWRNSKLLSA-N 2 1 351.495 -0.472 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313682 484655902 /nfs/dbraw/zinc/65/59/02/484655902.db2.gz KNKIURLIBCDIOZ-VNQPRFMTSA-N 2 1 351.495 -0.472 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313682 484655896 /nfs/dbraw/zinc/65/58/96/484655896.db2.gz KNKIURLIBCDIOZ-VNQPRFMTSA-N 2 1 351.495 -0.472 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313877 484655844 /nfs/dbraw/zinc/65/58/44/484655844.db2.gz OHEONFTTZUQTGW-GDBMZVCRSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313877 484655840 /nfs/dbraw/zinc/65/58/40/484655840.db2.gz OHEONFTTZUQTGW-GDBMZVCRSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313878 484655355 /nfs/dbraw/zinc/65/53/55/484655355.db2.gz OHEONFTTZUQTGW-GOEBONIOSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313878 484655349 /nfs/dbraw/zinc/65/53/49/484655349.db2.gz OHEONFTTZUQTGW-GOEBONIOSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313879 484656196 /nfs/dbraw/zinc/65/61/96/484656196.db2.gz OHEONFTTZUQTGW-HOCLYGCPSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313879 484656189 /nfs/dbraw/zinc/65/61/89/484656189.db2.gz OHEONFTTZUQTGW-HOCLYGCPSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313880 484656362 /nfs/dbraw/zinc/65/63/62/484656362.db2.gz OHEONFTTZUQTGW-ZBFHGGJFSA-N 2 1 363.506 -0.328 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313880 484656358 /nfs/dbraw/zinc/65/63/58/484656358.db2.gz OHEONFTTZUQTGW-ZBFHGGJFSA-N 2 1 363.506 -0.328 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314160 484656860 /nfs/dbraw/zinc/65/68/60/484656860.db2.gz WTXPBIUYPMDIJF-ILXRZTDVSA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314160 484656853 /nfs/dbraw/zinc/65/68/53/484656853.db2.gz WTXPBIUYPMDIJF-ILXRZTDVSA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314161 484656946 /nfs/dbraw/zinc/65/69/46/484656946.db2.gz WTXPBIUYPMDIJF-KFWWJZLASA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314161 484656942 /nfs/dbraw/zinc/65/69/42/484656942.db2.gz WTXPBIUYPMDIJF-KFWWJZLASA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314162 484658007 /nfs/dbraw/zinc/65/80/07/484658007.db2.gz WTXPBIUYPMDIJF-QLFBSQMISA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314162 484658001 /nfs/dbraw/zinc/65/80/01/484658001.db2.gz WTXPBIUYPMDIJF-QLFBSQMISA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314163 484656988 /nfs/dbraw/zinc/65/69/88/484656988.db2.gz WTXPBIUYPMDIJF-RBSFLKMASA-N 2 1 351.495 -0.472 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627314163 484656985 /nfs/dbraw/zinc/65/69/85/484656985.db2.gz WTXPBIUYPMDIJF-RBSFLKMASA-N 2 1 351.495 -0.472 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627318835 484667735 /nfs/dbraw/zinc/66/77/35/484667735.db2.gz BURGALFTCAORSV-KBPBESRZSA-N 2 1 358.483 -0.657 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627318836 484666963 /nfs/dbraw/zinc/66/69/63/484666963.db2.gz BURGALFTCAORSV-OKILXGFUSA-N 2 1 358.483 -0.657 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627318836 484666958 /nfs/dbraw/zinc/66/69/58/484666958.db2.gz BURGALFTCAORSV-OKILXGFUSA-N 2 1 358.483 -0.657 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627318837 484667874 /nfs/dbraw/zinc/66/78/74/484667874.db2.gz BURGALFTCAORSV-ZIAGYGMSSA-N 2 1 358.483 -0.657 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627318963 484667941 /nfs/dbraw/zinc/66/79/41/484667941.db2.gz GFWXIQJZQORUIC-KBPBESRZSA-N 2 1 358.483 -0.528 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627318964 484667394 /nfs/dbraw/zinc/66/73/94/484667394.db2.gz GFWXIQJZQORUIC-OKILXGFUSA-N 2 1 358.483 -0.528 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627318964 484667387 /nfs/dbraw/zinc/66/73/87/484667387.db2.gz GFWXIQJZQORUIC-OKILXGFUSA-N 2 1 358.483 -0.528 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C[C@@H](C)O1 ZINC000627318965 484667891 /nfs/dbraw/zinc/66/78/91/484667891.db2.gz GFWXIQJZQORUIC-ZIAGYGMSSA-N 2 1 358.483 -0.528 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000627319073 484667357 /nfs/dbraw/zinc/66/73/57/484667357.db2.gz IVXNEMQBZKPEEZ-KBPBESRZSA-N 2 1 358.483 -0.576 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000627319074 484667148 /nfs/dbraw/zinc/66/71/48/484667148.db2.gz IVXNEMQBZKPEEZ-OKILXGFUSA-N 2 1 358.483 -0.576 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000627319074 484667140 /nfs/dbraw/zinc/66/71/40/484667140.db2.gz IVXNEMQBZKPEEZ-OKILXGFUSA-N 2 1 358.483 -0.576 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C[C@@H](C)O1 ZINC000627319075 484667841 /nfs/dbraw/zinc/66/78/41/484667841.db2.gz IVXNEMQBZKPEEZ-ZIAGYGMSSA-N 2 1 358.483 -0.576 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319265 484668935 /nfs/dbraw/zinc/66/89/35/484668935.db2.gz OMZUDDGGPFDLFW-GASCZTMLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319265 484668933 /nfs/dbraw/zinc/66/89/33/484668933.db2.gz OMZUDDGGPFDLFW-GASCZTMLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627319266 484668868 /nfs/dbraw/zinc/66/88/68/484668868.db2.gz OMZUDDGGPFDLFW-GJZGRUSLSA-N 2 1 372.510 -0.315 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627319267 484669250 /nfs/dbraw/zinc/66/92/50/484669250.db2.gz OMZUDDGGPFDLFW-HUUCEWRRSA-N 2 1 372.510 -0.315 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627319355 484669363 /nfs/dbraw/zinc/66/93/63/484669363.db2.gz QIYDRCDEOIYIGP-KBPBESRZSA-N 2 1 370.494 -0.386 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627319356 484669094 /nfs/dbraw/zinc/66/90/94/484669094.db2.gz QIYDRCDEOIYIGP-OKILXGFUSA-N 2 1 370.494 -0.386 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627319356 484669088 /nfs/dbraw/zinc/66/90/88/484669088.db2.gz QIYDRCDEOIYIGP-OKILXGFUSA-N 2 1 370.494 -0.386 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000627319357 484669379 /nfs/dbraw/zinc/66/93/79/484669379.db2.gz QIYDRCDEOIYIGP-ZIAGYGMSSA-N 2 1 370.494 -0.386 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000627324690 484679564 /nfs/dbraw/zinc/67/95/64/484679564.db2.gz JZGZMKYQOQHVPA-ARFHVFGLSA-N 2 1 353.511 -0.369 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000627324691 484680230 /nfs/dbraw/zinc/68/02/30/484680230.db2.gz JZGZMKYQOQHVPA-XHSDSOJGSA-N 2 1 353.511 -0.369 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324907 484680633 /nfs/dbraw/zinc/68/06/33/484680633.db2.gz SGFORTRVKMEKEE-BZUAXINKSA-N 2 1 353.511 -0.369 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324908 484680141 /nfs/dbraw/zinc/68/01/41/484680141.db2.gz SGFORTRVKMEKEE-OAGGEKHMSA-N 2 1 353.511 -0.369 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324909 484680191 /nfs/dbraw/zinc/68/01/91/484680191.db2.gz SGFORTRVKMEKEE-OWCLPIDISA-N 2 1 353.511 -0.369 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324910 484679489 /nfs/dbraw/zinc/67/94/89/484679489.db2.gz SGFORTRVKMEKEE-PMPSAXMXSA-N 2 1 353.511 -0.369 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCN(C)CC1 ZINC000627325033 484680480 /nfs/dbraw/zinc/68/04/80/484680480.db2.gz WNQIJWGZFBVWIO-CVEARBPZSA-N 2 1 365.522 -0.225 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCN(C)CC1 ZINC000627325034 484680591 /nfs/dbraw/zinc/68/05/91/484680591.db2.gz WNQIJWGZFBVWIO-HOTGVXAUSA-N 2 1 365.522 -0.225 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCN(C)CC1 ZINC000627325035 484679681 /nfs/dbraw/zinc/67/96/81/484679681.db2.gz WNQIJWGZFBVWIO-HZPDHXFCSA-N 2 1 365.522 -0.225 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCN(C)CC1 ZINC000627325036 484679708 /nfs/dbraw/zinc/67/97/08/484679708.db2.gz WNQIJWGZFBVWIO-JKSUJKDBSA-N 2 1 365.522 -0.225 20 0 FBADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325979 484683052 /nfs/dbraw/zinc/68/30/52/484683052.db2.gz AUDORNJDQSNRBM-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325980 484683119 /nfs/dbraw/zinc/68/31/19/484683119.db2.gz AUDORNJDQSNRBM-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325981 484682583 /nfs/dbraw/zinc/68/25/83/484682583.db2.gz AUDORNJDQSNRBM-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325982 484683011 /nfs/dbraw/zinc/68/30/11/484683011.db2.gz AUDORNJDQSNRBM-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332955 484697533 /nfs/dbraw/zinc/69/75/33/484697533.db2.gz ORIUQJIOLHQGEF-MSOLQXFVSA-N 2 1 374.485 -0.228 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332956 484697065 /nfs/dbraw/zinc/69/70/65/484697065.db2.gz ORIUQJIOLHQGEF-QZTJIDSGSA-N 2 1 374.485 -0.228 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332957 484696943 /nfs/dbraw/zinc/69/69/43/484696943.db2.gz ORIUQJIOLHQGEF-ROUUACIJSA-N 2 1 374.485 -0.228 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332958 484697395 /nfs/dbraw/zinc/69/73/95/484697395.db2.gz ORIUQJIOLHQGEF-ZWKOTPCHSA-N 2 1 374.485 -0.228 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(C)C ZINC000627334105 484706973 /nfs/dbraw/zinc/70/69/73/484706973.db2.gz GJSYYJIXNWZPHR-KDURUIRLSA-N 2 1 365.522 -0.413 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334241 484707083 /nfs/dbraw/zinc/70/70/83/484707083.db2.gz KNVWPJHSSOVHRK-HNNXBMFYSA-N 2 1 353.511 -0.415 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334242 484706760 /nfs/dbraw/zinc/70/67/60/484706760.db2.gz KNVWPJHSSOVHRK-OAHLLOKOSA-N 2 1 353.511 -0.415 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334266 484706786 /nfs/dbraw/zinc/70/67/86/484706786.db2.gz LNTXNOBJTQTJET-AWEZNQCLSA-N 2 1 351.495 -0.471 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334267 484705328 /nfs/dbraw/zinc/70/53/28/484705328.db2.gz LNTXNOBJTQTJET-CQSZACIVSA-N 2 1 351.495 -0.471 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337105 484732166 /nfs/dbraw/zinc/73/21/66/484732166.db2.gz UBLFAVLZBALALQ-DLBZAZTESA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337106 484732874 /nfs/dbraw/zinc/73/28/74/484732874.db2.gz UBLFAVLZBALALQ-IAGOWNOFSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337107 484732039 /nfs/dbraw/zinc/73/20/39/484732039.db2.gz UBLFAVLZBALALQ-IRXDYDNUSA-N 2 1 360.458 -0.128 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337108 484731970 /nfs/dbraw/zinc/73/19/70/484731970.db2.gz UBLFAVLZBALALQ-SJORKVTESA-N 2 1 360.458 -0.128 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000627338328 484735057 /nfs/dbraw/zinc/73/50/57/484735057.db2.gz BYLBVDWZTZKCBO-MRXNPFEDSA-N 2 1 373.457 -0.832 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627338636 484734822 /nfs/dbraw/zinc/73/48/22/484734822.db2.gz LVTNVOGNDOJOCZ-KDURUIRLSA-N 2 1 365.522 -0.413 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338808 484735020 /nfs/dbraw/zinc/73/50/20/484735020.db2.gz QSVIYCFFCYQSGF-HNNXBMFYSA-N 2 1 351.495 -0.471 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338809 484735386 /nfs/dbraw/zinc/73/53/86/484735386.db2.gz QSVIYCFFCYQSGF-OAHLLOKOSA-N 2 1 351.495 -0.471 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000627339174 484738761 /nfs/dbraw/zinc/73/87/61/484738761.db2.gz BECPGKYCAWVXJN-CYBMUJFWSA-N 2 1 368.503 -0.037 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000627339174 484738757 /nfs/dbraw/zinc/73/87/57/484738757.db2.gz BECPGKYCAWVXJN-CYBMUJFWSA-N 2 1 368.503 -0.037 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000627339175 484738396 /nfs/dbraw/zinc/73/83/96/484738396.db2.gz BECPGKYCAWVXJN-ZDUSSCGKSA-N 2 1 368.503 -0.037 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000627339175 484738389 /nfs/dbraw/zinc/73/83/89/484738389.db2.gz BECPGKYCAWVXJN-ZDUSSCGKSA-N 2 1 368.503 -0.037 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000627339528 484738720 /nfs/dbraw/zinc/73/87/20/484738720.db2.gz KOOLWIOECFXFTE-HNNXBMFYSA-N 2 1 362.474 -0.098 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000627339528 484738716 /nfs/dbraw/zinc/73/87/16/484738716.db2.gz KOOLWIOECFXFTE-HNNXBMFYSA-N 2 1 362.474 -0.098 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000627339529 484737971 /nfs/dbraw/zinc/73/79/71/484737971.db2.gz KOOLWIOECFXFTE-OAHLLOKOSA-N 2 1 362.474 -0.098 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000627339529 484737965 /nfs/dbraw/zinc/73/79/65/484737965.db2.gz KOOLWIOECFXFTE-OAHLLOKOSA-N 2 1 362.474 -0.098 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000627339590 484738665 /nfs/dbraw/zinc/73/86/65/484738665.db2.gz LXLJFAKKHKVKGH-HNNXBMFYSA-N 2 1 362.474 -0.017 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000627339590 484738657 /nfs/dbraw/zinc/73/86/57/484738657.db2.gz LXLJFAKKHKVKGH-HNNXBMFYSA-N 2 1 362.474 -0.017 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000627339591 484737779 /nfs/dbraw/zinc/73/77/79/484737779.db2.gz LXLJFAKKHKVKGH-OAHLLOKOSA-N 2 1 362.474 -0.017 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000627339591 484737774 /nfs/dbraw/zinc/73/77/74/484737774.db2.gz LXLJFAKKHKVKGH-OAHLLOKOSA-N 2 1 362.474 -0.017 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+]1CCOCC1 ZINC000627346638 484752968 /nfs/dbraw/zinc/75/29/68/484752968.db2.gz ZMMMNWWBRUILCQ-JCGIZDLHSA-N 2 1 352.479 -0.471 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+]1CCOCC1 ZINC000627346639 484753189 /nfs/dbraw/zinc/75/31/89/484753189.db2.gz ZMMMNWWBRUILCQ-OLMNPRSZSA-N 2 1 352.479 -0.471 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000627350839 484769827 /nfs/dbraw/zinc/76/98/27/484769827.db2.gz CODYFAPFFKPGAW-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000627350839 484769820 /nfs/dbraw/zinc/76/98/20/484769820.db2.gz CODYFAPFFKPGAW-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000627351062 484770564 /nfs/dbraw/zinc/77/05/64/484770564.db2.gz IZTIWTDMBUXERS-UHFFFAOYSA-N 2 1 360.458 -0.215 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000627351062 484770560 /nfs/dbraw/zinc/77/05/60/484770560.db2.gz IZTIWTDMBUXERS-UHFFFAOYSA-N 2 1 360.458 -0.215 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352058 484773228 /nfs/dbraw/zinc/77/32/28/484773228.db2.gz KOZPNQMKOSTOTF-CABCVRRESA-N 2 1 367.494 -0.854 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352059 484773061 /nfs/dbraw/zinc/77/30/61/484773061.db2.gz KOZPNQMKOSTOTF-GJZGRUSLSA-N 2 1 367.494 -0.854 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352060 484773493 /nfs/dbraw/zinc/77/34/93/484773493.db2.gz KOZPNQMKOSTOTF-HUUCEWRRSA-N 2 1 367.494 -0.854 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352061 484772842 /nfs/dbraw/zinc/77/28/42/484772842.db2.gz KOZPNQMKOSTOTF-LSDHHAIUSA-N 2 1 367.494 -0.854 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627352415 484774402 /nfs/dbraw/zinc/77/44/02/484774402.db2.gz VUQCJVCZMDXHRO-KBPBESRZSA-N 2 1 365.478 -0.909 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627352416 484774293 /nfs/dbraw/zinc/77/42/93/484774293.db2.gz VUQCJVCZMDXHRO-KGLIPLIRSA-N 2 1 365.478 -0.909 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627352417 484775440 /nfs/dbraw/zinc/77/54/40/484775440.db2.gz VUQCJVCZMDXHRO-UONOGXRCSA-N 2 1 365.478 -0.909 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627352418 484774710 /nfs/dbraw/zinc/77/47/10/484774710.db2.gz VUQCJVCZMDXHRO-ZIAGYGMSSA-N 2 1 365.478 -0.909 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627352752 484777464 /nfs/dbraw/zinc/77/74/64/484777464.db2.gz HWCCMYSFYGSQLW-OAHLLOKOSA-N 2 1 360.462 -0.812 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000627352760 484777425 /nfs/dbraw/zinc/77/74/25/484777425.db2.gz IECZULHVWTYEGV-DOTOQJQBSA-N 2 1 374.489 -0.424 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627353089 484776410 /nfs/dbraw/zinc/77/64/10/484776410.db2.gz RLEKTPUVKAKMHJ-NEPJUHHUSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627353090 484776765 /nfs/dbraw/zinc/77/67/65/484776765.db2.gz RLEKTPUVKAKMHJ-NWDGAFQWSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627353091 484775962 /nfs/dbraw/zinc/77/59/62/484775962.db2.gz RLEKTPUVKAKMHJ-RYUDHWBXSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627353092 484776608 /nfs/dbraw/zinc/77/66/08/484776608.db2.gz RLEKTPUVKAKMHJ-VXGBXAGGSA-N 2 1 368.400 -0.334 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000627353224 484777830 /nfs/dbraw/zinc/77/78/30/484777830.db2.gz WHSQIPNOUBTSSM-UHFFFAOYSA-N 2 1 362.478 -0.483 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000627357720 483867744 /nfs/dbraw/zinc/86/77/44/483867744.db2.gz OAHYHGRFXBCLOD-UHFFFAOYSA-N 2 1 362.474 -0.015 20 0 FBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627357915 484883383 /nfs/dbraw/zinc/88/33/83/484883383.db2.gz UVKUNQANMOROGF-KRWDZBQOSA-N 2 1 360.458 -0.344 20 0 FBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627357916 484883641 /nfs/dbraw/zinc/88/36/41/484883641.db2.gz UVKUNQANMOROGF-QGZVFWFLSA-N 2 1 360.458 -0.344 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361718 484883034 /nfs/dbraw/zinc/88/30/34/484883034.db2.gz XAXVLGUKUMOFJL-DJIMGWMZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361718 484883028 /nfs/dbraw/zinc/88/30/28/484883028.db2.gz XAXVLGUKUMOFJL-DJIMGWMZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361719 484883143 /nfs/dbraw/zinc/88/31/43/484883143.db2.gz XAXVLGUKUMOFJL-OIISXLGYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361719 484883133 /nfs/dbraw/zinc/88/31/33/484883133.db2.gz XAXVLGUKUMOFJL-OIISXLGYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361720 484883805 /nfs/dbraw/zinc/88/38/05/484883805.db2.gz XAXVLGUKUMOFJL-UAGQMJEPSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361720 484883799 /nfs/dbraw/zinc/88/37/99/484883799.db2.gz XAXVLGUKUMOFJL-UAGQMJEPSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361721 484884224 /nfs/dbraw/zinc/88/42/24/484884224.db2.gz XAXVLGUKUMOFJL-USXIJHARSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361721 484884217 /nfs/dbraw/zinc/88/42/17/484884217.db2.gz XAXVLGUKUMOFJL-USXIJHARSA-N 2 1 360.458 -0.130 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363956 484883762 /nfs/dbraw/zinc/88/37/62/484883762.db2.gz BVNRAXYFDPEMQG-CVEARBPZSA-N 2 1 353.511 -0.223 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363957 484884098 /nfs/dbraw/zinc/88/40/98/484884098.db2.gz BVNRAXYFDPEMQG-HOTGVXAUSA-N 2 1 353.511 -0.223 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363958 484883057 /nfs/dbraw/zinc/88/30/57/484883057.db2.gz BVNRAXYFDPEMQG-HZPDHXFCSA-N 2 1 353.511 -0.223 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363959 484883904 /nfs/dbraw/zinc/88/39/04/484883904.db2.gz BVNRAXYFDPEMQG-JKSUJKDBSA-N 2 1 353.511 -0.223 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364044 484883192 /nfs/dbraw/zinc/88/31/92/484883192.db2.gz FRXKTXZBMSQZBQ-INIZCTEOSA-N 2 1 365.522 -0.079 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364045 484883928 /nfs/dbraw/zinc/88/39/28/484883928.db2.gz FRXKTXZBMSQZBQ-MRXNPFEDSA-N 2 1 365.522 -0.079 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627364169 484883483 /nfs/dbraw/zinc/88/34/83/484883483.db2.gz ISZLNGAJNGASOI-KDURUIRLSA-N 2 1 365.522 -0.412 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627364712 484885018 /nfs/dbraw/zinc/88/50/18/484885018.db2.gz VSRJWCXSKJVTBC-OWCLPIDISA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627364713 484885187 /nfs/dbraw/zinc/88/51/87/484885187.db2.gz VSRJWCXSKJVTBC-XHSDSOJGSA-N 2 1 354.495 -0.035 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000627364748 484062862 /nfs/dbraw/zinc/06/28/62/484062862.db2.gz WLRRYRUGZOMGNJ-JKSUJKDBSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365986 484884952 /nfs/dbraw/zinc/88/49/52/484884952.db2.gz DTTCAEKDQTYQBQ-ILXRZTDVSA-N 2 1 367.494 -0.698 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365987 484885360 /nfs/dbraw/zinc/88/53/60/484885360.db2.gz DTTCAEKDQTYQBQ-KFWWJZLASA-N 2 1 367.494 -0.698 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365988 484885468 /nfs/dbraw/zinc/88/54/68/484885468.db2.gz DTTCAEKDQTYQBQ-QLFBSQMISA-N 2 1 367.494 -0.698 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365989 484885618 /nfs/dbraw/zinc/88/56/18/484885618.db2.gz DTTCAEKDQTYQBQ-RBSFLKMASA-N 2 1 367.494 -0.698 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366303 484885395 /nfs/dbraw/zinc/88/53/95/484885395.db2.gz OBPNYGILYVHLJW-DLBZAZTESA-N 2 1 360.458 -0.271 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366304 484885430 /nfs/dbraw/zinc/88/54/30/484885430.db2.gz OBPNYGILYVHLJW-IAGOWNOFSA-N 2 1 360.458 -0.271 20 0 FBADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366305 484884916 /nfs/dbraw/zinc/88/49/16/484884916.db2.gz OBPNYGILYVHLJW-IRXDYDNUSA-N 2 1 360.458 -0.271 20 0 FBADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366306 484885655 /nfs/dbraw/zinc/88/56/55/484885655.db2.gz OBPNYGILYVHLJW-SJORKVTESA-N 2 1 360.458 -0.271 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000627366593 484885510 /nfs/dbraw/zinc/88/55/10/484885510.db2.gz VWOJMNQUMKGAQR-RRFJBIMHSA-N 2 1 367.494 -0.698 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000627366594 484884994 /nfs/dbraw/zinc/88/49/94/484884994.db2.gz VWOJMNQUMKGAQR-ZNMIVQPWSA-N 2 1 367.494 -0.698 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627366741 484885121 /nfs/dbraw/zinc/88/51/21/484885121.db2.gz AMWJXFGVNZNEHP-JCGIZDLHSA-N 2 1 352.479 -0.329 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627366742 484375484 /nfs/dbraw/zinc/37/54/84/484375484.db2.gz AMWJXFGVNZNEHP-OLMNPRSZSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367392 484885142 /nfs/dbraw/zinc/88/51/42/484885142.db2.gz SIWKHJMVQRRRJE-DJIMGWMZSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367393 484885548 /nfs/dbraw/zinc/88/55/48/484885548.db2.gz SIWKHJMVQRRRJE-HYVNUMGLSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367394 484884759 /nfs/dbraw/zinc/88/47/59/484884759.db2.gz SIWKHJMVQRRRJE-OIISXLGYSA-N 2 1 360.458 -0.272 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367395 484885260 /nfs/dbraw/zinc/88/52/60/484885260.db2.gz SIWKHJMVQRRRJE-PVAVHDDUSA-N 2 1 360.458 -0.272 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627367428 484884728 /nfs/dbraw/zinc/88/47/28/484884728.db2.gz UCOKOSVDGDFEFA-DOTOQJQBSA-N 2 1 362.474 -0.025 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627367429 484885053 /nfs/dbraw/zinc/88/50/53/484885053.db2.gz UCOKOSVDGDFEFA-NVXWUHKLSA-N 2 1 362.474 -0.025 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627367430 484885729 /nfs/dbraw/zinc/88/57/29/484885729.db2.gz UCOKOSVDGDFEFA-RDJZCZTQSA-N 2 1 362.474 -0.025 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627367431 484885319 /nfs/dbraw/zinc/88/53/19/484885319.db2.gz UCOKOSVDGDFEFA-WBVHZDCISA-N 2 1 362.474 -0.025 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627370730 484886961 /nfs/dbraw/zinc/88/69/61/484886961.db2.gz KWCONGJZGJPHEK-LSDHHAIUSA-N 2 1 367.494 -0.650 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627370775 484887473 /nfs/dbraw/zinc/88/74/73/484887473.db2.gz MGAUILUZKMEJMF-DZGCQCFKSA-N 2 1 367.494 -0.650 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627370776 484887566 /nfs/dbraw/zinc/88/75/66/484887566.db2.gz MGAUILUZKMEJMF-HIFRSBDPSA-N 2 1 367.494 -0.650 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627370777 484887313 /nfs/dbraw/zinc/88/73/13/484887313.db2.gz MGAUILUZKMEJMF-UKRRQHHQSA-N 2 1 367.494 -0.650 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627370778 484886912 /nfs/dbraw/zinc/88/69/12/484886912.db2.gz MGAUILUZKMEJMF-ZFWWWQNUSA-N 2 1 367.494 -0.650 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000627376005 484887952 /nfs/dbraw/zinc/88/79/52/484887952.db2.gz NPBLGTWQLUBDTQ-UHFFFAOYSA-N 2 1 363.462 -0.041 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000627388365 484891938 /nfs/dbraw/zinc/89/19/38/484891938.db2.gz SJMNRMCOFARIAH-DJIMGWMZSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000627388366 484891433 /nfs/dbraw/zinc/89/14/33/484891433.db2.gz SJMNRMCOFARIAH-HYVNUMGLSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000627388367 484891801 /nfs/dbraw/zinc/89/18/01/484891801.db2.gz SJMNRMCOFARIAH-OIISXLGYSA-N 2 1 360.458 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000627388368 484891353 /nfs/dbraw/zinc/89/13/53/484891353.db2.gz SJMNRMCOFARIAH-PVAVHDDUSA-N 2 1 360.458 -0.130 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000627393901 484893058 /nfs/dbraw/zinc/89/30/58/484893058.db2.gz PMNKQJLGBSBMSP-UHFFFAOYSA-N 2 1 366.437 -0.002 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398173 484893754 /nfs/dbraw/zinc/89/37/54/484893754.db2.gz GFAFPMHNOBQWRL-BZUAXINKSA-N 2 1 353.511 -0.367 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398174 484078167 /nfs/dbraw/zinc/07/81/67/484078167.db2.gz GFAFPMHNOBQWRL-OAGGEKHMSA-N 2 1 353.511 -0.367 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398175 484078083 /nfs/dbraw/zinc/07/80/83/484078083.db2.gz GFAFPMHNOBQWRL-OWCLPIDISA-N 2 1 353.511 -0.367 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398176 484078339 /nfs/dbraw/zinc/07/83/39/484078339.db2.gz GFAFPMHNOBQWRL-PMPSAXMXSA-N 2 1 353.511 -0.367 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CC[NH+](C)CC1 ZINC000627398468 484131144 /nfs/dbraw/zinc/13/11/44/484131144.db2.gz NSSNDCLKFKWZNO-LZQZEXGQSA-N 2 1 365.522 -0.556 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CC[NH+](C)CC1 ZINC000627398469 484132175 /nfs/dbraw/zinc/13/21/75/484132175.db2.gz NSSNDCLKFKWZNO-ZYSHUDEJSA-N 2 1 365.522 -0.556 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)CN1CC[NH+](C)CC1 ZINC000627398654 484894941 /nfs/dbraw/zinc/89/49/41/484894941.db2.gz SWOFMKOFFFFQTL-CABCVRRESA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)CN1CC[NH+](C)CC1 ZINC000627398655 484894418 /nfs/dbraw/zinc/89/44/18/484894418.db2.gz SWOFMKOFFFFQTL-GJZGRUSLSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CN1CC[NH+](C)CC1 ZINC000627398656 484893992 /nfs/dbraw/zinc/89/39/92/484893992.db2.gz SWOFMKOFFFFQTL-HUUCEWRRSA-N 2 1 351.495 -0.613 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CN1CC[NH+](C)CC1 ZINC000627398657 484137502 /nfs/dbraw/zinc/13/75/02/484137502.db2.gz SWOFMKOFFFFQTL-LSDHHAIUSA-N 2 1 351.495 -0.613 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000627398713 484893931 /nfs/dbraw/zinc/89/39/31/484893931.db2.gz VAJUJQBZTAKFTI-HRCADAONSA-N 2 1 353.511 -0.367 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000627398714 484894216 /nfs/dbraw/zinc/89/42/16/484894216.db2.gz VAJUJQBZTAKFTI-OWCLPIDISA-N 2 1 353.511 -0.367 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398924 484894602 /nfs/dbraw/zinc/89/46/02/484894602.db2.gz ZIYOLZZVYSZYES-CVEARBPZSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398925 484894007 /nfs/dbraw/zinc/89/40/07/484894007.db2.gz ZIYOLZZVYSZYES-HOTGVXAUSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398926 484894781 /nfs/dbraw/zinc/89/47/81/484894781.db2.gz ZIYOLZZVYSZYES-HZPDHXFCSA-N 2 1 365.522 -0.223 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398927 484895000 /nfs/dbraw/zinc/89/50/00/484895000.db2.gz ZIYOLZZVYSZYES-JKSUJKDBSA-N 2 1 365.522 -0.223 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000627419464 484899242 /nfs/dbraw/zinc/89/92/42/484899242.db2.gz YIHUSJSBLDLELQ-UHFFFAOYSA-N 2 1 362.421 -0.200 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428421 484901502 /nfs/dbraw/zinc/90/15/02/484901502.db2.gz FNDJZPPTAWEUAR-GBJTYRQASA-N 2 1 350.463 -0.387 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428455 484902019 /nfs/dbraw/zinc/90/20/19/484902019.db2.gz GKHVXBGBIJPGAB-HUUCEWRRSA-N 2 1 368.478 -0.902 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428791 484901856 /nfs/dbraw/zinc/90/18/56/484901856.db2.gz OTJMADRAPAWFBX-HUUCEWRRSA-N 2 1 368.478 -0.772 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428969 484901671 /nfs/dbraw/zinc/90/16/71/484901671.db2.gz TZYSBTIEFDRLRU-HUUCEWRRSA-N 2 1 368.478 -0.820 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627430002 484902159 /nfs/dbraw/zinc/90/21/59/484902159.db2.gz IBHQRAITWNMEIC-CGTJXYLNSA-N 2 1 373.501 -0.215 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627430003 484901634 /nfs/dbraw/zinc/90/16/34/484901634.db2.gz IBHQRAITWNMEIC-RYQLBKOJSA-N 2 1 373.501 -0.215 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627430182 484902030 /nfs/dbraw/zinc/90/20/30/484902030.db2.gz NMSYEAQAYXKSGS-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627430183 484626404 /nfs/dbraw/zinc/62/64/04/484626404.db2.gz NMSYEAQAYXKSGS-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627430265 484901682 /nfs/dbraw/zinc/90/16/82/484901682.db2.gz RDUOIHHFMQXNHS-IAGOWNOFSA-N 2 1 359.474 -0.603 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627430266 484901732 /nfs/dbraw/zinc/90/17/32/484901732.db2.gz RDUOIHHFMQXNHS-SJORKVTESA-N 2 1 359.474 -0.603 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627439102 484904815 /nfs/dbraw/zinc/90/48/15/484904815.db2.gz AGCXRZJDBHAZIP-HNNXBMFYSA-N 2 1 351.495 -0.517 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627439103 484904132 /nfs/dbraw/zinc/90/41/32/484904132.db2.gz AGCXRZJDBHAZIP-OAHLLOKOSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627440234 484904181 /nfs/dbraw/zinc/90/41/81/484904181.db2.gz GLLMHIGLFHJANO-HNNXBMFYSA-N 2 1 352.479 -0.308 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 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484908752 /nfs/dbraw/zinc/90/87/52/484908752.db2.gz YNHKVESXIGMUAL-CQSZACIVSA-N 2 1 368.478 -0.678 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627456999 484910232 /nfs/dbraw/zinc/91/02/32/484910232.db2.gz GGOBYCIZGRJVTQ-IXDOHACOSA-N 2 1 365.522 -0.130 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627456999 484910226 /nfs/dbraw/zinc/91/02/26/484910226.db2.gz GGOBYCIZGRJVTQ-IXDOHACOSA-N 2 1 365.522 -0.130 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627457000 484909819 /nfs/dbraw/zinc/90/98/19/484909819.db2.gz GGOBYCIZGRJVTQ-YESZJQIVSA-N 2 1 365.522 -0.130 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627457000 484909810 /nfs/dbraw/zinc/90/98/10/484909810.db2.gz GGOBYCIZGRJVTQ-YESZJQIVSA-N 2 1 365.522 -0.130 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000627457307 484910666 /nfs/dbraw/zinc/91/06/66/484910666.db2.gz QSSRRGWHYVTIAH-JKSUJKDBSA-N 2 1 353.511 -0.273 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000627457307 484910658 /nfs/dbraw/zinc/91/06/58/484910658.db2.gz QSSRRGWHYVTIAH-JKSUJKDBSA-N 2 1 353.511 -0.273 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000627459126 484910328 /nfs/dbraw/zinc/91/03/28/484910328.db2.gz AKYUUTUPYFVACV-RRFJBIMHSA-N 2 1 365.478 -0.992 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000627459127 484910175 /nfs/dbraw/zinc/91/01/75/484910175.db2.gz AKYUUTUPYFVACV-ZNMIVQPWSA-N 2 1 365.478 -0.992 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000627460410 484911518 /nfs/dbraw/zinc/91/15/18/484911518.db2.gz JKYMSHYYGSWSPT-HRCADAONSA-N 2 1 351.495 -0.519 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000627460411 484911373 /nfs/dbraw/zinc/91/13/73/484911373.db2.gz JKYMSHYYGSWSPT-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000627460621 484912254 /nfs/dbraw/zinc/91/22/54/484912254.db2.gz PEPIMDGICUPKPY-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000627460622 484911930 /nfs/dbraw/zinc/91/19/30/484911930.db2.gz PEPIMDGICUPKPY-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000627461156 484912137 /nfs/dbraw/zinc/91/21/37/484912137.db2.gz GWEMKTXGUYBXER-UHFFFAOYSA-N 2 1 368.503 -0.213 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000627461417 484912096 /nfs/dbraw/zinc/91/20/96/484912096.db2.gz OSSWKIQBBNILHH-IXDOHACOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000627461418 484911639 /nfs/dbraw/zinc/91/16/39/484911639.db2.gz OSSWKIQBBNILHH-YESZJQIVSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627461586 484912243 /nfs/dbraw/zinc/91/22/43/484912243.db2.gz UOFFPFINGXNHOO-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627461587 484911895 /nfs/dbraw/zinc/91/18/95/484911895.db2.gz UOFFPFINGXNHOO-HRCADAONSA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627461588 484911590 /nfs/dbraw/zinc/91/15/90/484911590.db2.gz UOFFPFINGXNHOO-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627461588 484911582 /nfs/dbraw/zinc/91/15/82/484911582.db2.gz UOFFPFINGXNHOO-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627461589 484912050 /nfs/dbraw/zinc/91/20/50/484912050.db2.gz UOFFPFINGXNHOO-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627461589 484912042 /nfs/dbraw/zinc/91/20/42/484912042.db2.gz UOFFPFINGXNHOO-XHSDSOJGSA-N 2 1 370.494 -0.561 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627462632 484912311 /nfs/dbraw/zinc/91/23/11/484912311.db2.gz ZBNPGLSJHNDGAQ-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627462633 484911678 /nfs/dbraw/zinc/91/16/78/484911678.db2.gz ZBNPGLSJHNDGAQ-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627462634 484911876 /nfs/dbraw/zinc/91/18/76/484911876.db2.gz ZBNPGLSJHNDGAQ-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627462635 484912371 /nfs/dbraw/zinc/91/23/71/484912371.db2.gz ZBNPGLSJHNDGAQ-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000627462848 484912845 /nfs/dbraw/zinc/91/28/45/484912845.db2.gz GFJKQQDUYRJFEQ-UHFFFAOYSA-N 2 1 362.474 -0.275 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627463925 484912960 /nfs/dbraw/zinc/91/29/60/484912960.db2.gz MSYVVMFIHXMZIF-HDICACEKSA-N 2 1 374.485 -0.071 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000627464734 484913326 /nfs/dbraw/zinc/91/33/26/484913326.db2.gz LRNKPPWTWGBOME-AWEZNQCLSA-N 2 1 356.467 -0.950 20 0 FBADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000627464735 484913064 /nfs/dbraw/zinc/91/30/64/484913064.db2.gz LRNKPPWTWGBOME-CQSZACIVSA-N 2 1 356.467 -0.950 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627469956 484915656 /nfs/dbraw/zinc/91/56/56/484915656.db2.gz IWHCXYUWIPTMLE-FGTMMUONSA-N 2 1 372.469 -0.319 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627469957 484916097 /nfs/dbraw/zinc/91/60/97/484916097.db2.gz IWHCXYUWIPTMLE-KSZLIROESA-N 2 1 372.469 -0.319 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627472128 484918089 /nfs/dbraw/zinc/91/80/89/484918089.db2.gz HZZIXCZIXMWVCH-DLBZAZTESA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627472129 484917437 /nfs/dbraw/zinc/91/74/37/484917437.db2.gz HZZIXCZIXMWVCH-IAGOWNOFSA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627472130 484917333 /nfs/dbraw/zinc/91/73/33/484917333.db2.gz HZZIXCZIXMWVCH-IRXDYDNUSA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627472131 484918704 /nfs/dbraw/zinc/91/87/04/484918704.db2.gz HZZIXCZIXMWVCH-SJORKVTESA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627472871 484918534 /nfs/dbraw/zinc/91/85/34/484918534.db2.gz BCLIKHFLDPPWHU-DLBZAZTESA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627472872 484917391 /nfs/dbraw/zinc/91/73/91/484917391.db2.gz BCLIKHFLDPPWHU-IAGOWNOFSA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627472873 484917859 /nfs/dbraw/zinc/91/78/59/484917859.db2.gz BCLIKHFLDPPWHU-IRXDYDNUSA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627472874 484917251 /nfs/dbraw/zinc/91/72/51/484917251.db2.gz BCLIKHFLDPPWHU-SJORKVTESA-N 2 1 360.458 -0.176 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627474443 484919986 /nfs/dbraw/zinc/91/99/86/484919986.db2.gz OQHNJXPGXSAMTR-FMKPAKJESA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627474444 484919899 /nfs/dbraw/zinc/91/98/99/484919899.db2.gz OQHNJXPGXSAMTR-IIAWOOMASA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627474445 484919821 /nfs/dbraw/zinc/91/98/21/484919821.db2.gz OQHNJXPGXSAMTR-LZWOXQAQSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627474446 484920066 /nfs/dbraw/zinc/92/00/66/484920066.db2.gz OQHNJXPGXSAMTR-SQWLQELKSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627475336 484922469 /nfs/dbraw/zinc/92/24/69/484922469.db2.gz KPAWSOQAIDDJOT-OKZBNKHCSA-N 2 1 372.469 -0.176 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627475337 484922197 /nfs/dbraw/zinc/92/21/97/484922197.db2.gz KPAWSOQAIDDJOT-RCCFBDPRSA-N 2 1 372.469 -0.176 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475379 484922422 /nfs/dbraw/zinc/92/24/22/484922422.db2.gz LNKQMPFICXKGFE-MSOLQXFVSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475380 484921561 /nfs/dbraw/zinc/92/15/61/484921561.db2.gz LNKQMPFICXKGFE-QZTJIDSGSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475381 484921747 /nfs/dbraw/zinc/92/17/47/484921747.db2.gz LNKQMPFICXKGFE-ROUUACIJSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475382 484921811 /nfs/dbraw/zinc/92/18/11/484921811.db2.gz LNKQMPFICXKGFE-ZWKOTPCHSA-N 2 1 374.485 -0.134 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477477 484923201 /nfs/dbraw/zinc/92/32/01/484923201.db2.gz WVCSQPPQSAEUOV-BFYDXBDKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477477 484923197 /nfs/dbraw/zinc/92/31/97/484923197.db2.gz WVCSQPPQSAEUOV-BFYDXBDKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477478 484923865 /nfs/dbraw/zinc/92/38/65/484923865.db2.gz WVCSQPPQSAEUOV-HLLBOEOZSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477478 484923859 /nfs/dbraw/zinc/92/38/59/484923859.db2.gz WVCSQPPQSAEUOV-HLLBOEOZSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477479 484923754 /nfs/dbraw/zinc/92/37/54/484923754.db2.gz WVCSQPPQSAEUOV-INMHGKMJSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477479 484923748 /nfs/dbraw/zinc/92/37/48/484923748.db2.gz WVCSQPPQSAEUOV-INMHGKMJSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477480 484923433 /nfs/dbraw/zinc/92/34/33/484923433.db2.gz WVCSQPPQSAEUOV-VYDXJSESSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH2+]1 ZINC000627477480 484923424 /nfs/dbraw/zinc/92/34/24/484923424.db2.gz WVCSQPPQSAEUOV-VYDXJSESSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477503 484922942 /nfs/dbraw/zinc/92/29/42/484922942.db2.gz XNIYWPULNPHSCZ-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477503 484922936 /nfs/dbraw/zinc/92/29/36/484922936.db2.gz XNIYWPULNPHSCZ-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477504 484923519 /nfs/dbraw/zinc/92/35/19/484923519.db2.gz XNIYWPULNPHSCZ-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477504 484923513 /nfs/dbraw/zinc/92/35/13/484923513.db2.gz XNIYWPULNPHSCZ-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477505 484923580 /nfs/dbraw/zinc/92/35/80/484923580.db2.gz XNIYWPULNPHSCZ-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477505 484923575 /nfs/dbraw/zinc/92/35/75/484923575.db2.gz XNIYWPULNPHSCZ-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477506 484923137 /nfs/dbraw/zinc/92/31/37/484923137.db2.gz XNIYWPULNPHSCZ-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[NH2+]1 ZINC000627477506 484923132 /nfs/dbraw/zinc/92/31/32/484923132.db2.gz XNIYWPULNPHSCZ-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627480913 484924904 /nfs/dbraw/zinc/92/49/04/484924904.db2.gz WPJWYNOULGQBEZ-ILXRZTDVSA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627480914 484924486 /nfs/dbraw/zinc/92/44/86/484924486.db2.gz WPJWYNOULGQBEZ-KFWWJZLASA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627480915 484924868 /nfs/dbraw/zinc/92/48/68/484924868.db2.gz WPJWYNOULGQBEZ-QLFBSQMISA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627480916 484925286 /nfs/dbraw/zinc/92/52/86/484925286.db2.gz WPJWYNOULGQBEZ-RBSFLKMASA-N 2 1 365.478 -0.992 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH2+]1 ZINC000627481536 484925240 /nfs/dbraw/zinc/92/52/40/484925240.db2.gz DYCPJUCFYKHORN-BZUAXINKSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH2+]1 ZINC000627481537 484924953 /nfs/dbraw/zinc/92/49/53/484924953.db2.gz DYCPJUCFYKHORN-OAGGEKHMSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH2+]1 ZINC000627481538 484924812 /nfs/dbraw/zinc/92/48/12/484924812.db2.gz DYCPJUCFYKHORN-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH2+]1 ZINC000627481539 484925079 /nfs/dbraw/zinc/92/50/79/484925079.db2.gz DYCPJUCFYKHORN-PMPSAXMXSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484297 484926769 /nfs/dbraw/zinc/92/67/69/484926769.db2.gz VWICWPGUSAJBIU-ILXRZTDVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH2+]1 ZINC000627484298 484926380 /nfs/dbraw/zinc/92/63/80/484926380.db2.gz VWICWPGUSAJBIU-KFWWJZLASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484299 484926134 /nfs/dbraw/zinc/92/61/34/484926134.db2.gz VWICWPGUSAJBIU-KKUMJFAQSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484300 484926635 /nfs/dbraw/zinc/92/66/35/484926635.db2.gz VWICWPGUSAJBIU-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH2+]1 ZINC000627484301 484926471 /nfs/dbraw/zinc/92/64/71/484926471.db2.gz VWICWPGUSAJBIU-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627484302 484925744 /nfs/dbraw/zinc/92/57/44/484925744.db2.gz VWICWPGUSAJBIU-RRFJBIMHSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484303 484926565 /nfs/dbraw/zinc/92/65/65/484926565.db2.gz VWICWPGUSAJBIU-SOUVJXGZSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627484304 484926593 /nfs/dbraw/zinc/92/65/93/484926593.db2.gz VWICWPGUSAJBIU-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627484467 484926409 /nfs/dbraw/zinc/92/64/09/484926409.db2.gz ZIBPXDQHVVABNX-BRWVUGGUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627484468 484926396 /nfs/dbraw/zinc/92/63/96/484926396.db2.gz ZIBPXDQHVVABNX-IKGGRYGDSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627484469 484926157 /nfs/dbraw/zinc/92/61/57/484926157.db2.gz ZIBPXDQHVVABNX-IXDOHACOSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[NH2+]1 ZINC000627484470 484926243 /nfs/dbraw/zinc/92/62/43/484926243.db2.gz ZIBPXDQHVVABNX-ZACQAIPSSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627484862 484925676 /nfs/dbraw/zinc/92/56/76/484925676.db2.gz KWOMBNVUFVISAP-INIZCTEOSA-N 2 1 369.510 -0.904 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627484863 484925802 /nfs/dbraw/zinc/92/58/02/484925802.db2.gz KWOMBNVUFVISAP-MRXNPFEDSA-N 2 1 369.510 -0.904 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485085 484925904 /nfs/dbraw/zinc/92/59/04/484925904.db2.gz QSUKRDQAFLZKRO-AWEZNQCLSA-N 2 1 356.467 -0.820 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485086 484926171 /nfs/dbraw/zinc/92/61/71/484926171.db2.gz QSUKRDQAFLZKRO-CQSZACIVSA-N 2 1 356.467 -0.820 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000627486558 484926215 /nfs/dbraw/zinc/92/62/15/484926215.db2.gz DSLPKGWXMPWYPB-UHFFFAOYSA-N 2 1 362.474 -0.145 20 0 FBADMP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627488555 484929133 /nfs/dbraw/zinc/92/91/33/484929133.db2.gz BUEZUCLVYLKLSC-INIZCTEOSA-N 2 1 369.510 -0.905 20 0 FBADMP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627488555 484929126 /nfs/dbraw/zinc/92/91/26/484929126.db2.gz BUEZUCLVYLKLSC-INIZCTEOSA-N 2 1 369.510 -0.905 20 0 FBADMP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627488556 484928812 /nfs/dbraw/zinc/92/88/12/484928812.db2.gz BUEZUCLVYLKLSC-MRXNPFEDSA-N 2 1 369.510 -0.905 20 0 FBADMP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627488556 484928807 /nfs/dbraw/zinc/92/88/07/484928807.db2.gz BUEZUCLVYLKLSC-MRXNPFEDSA-N 2 1 369.510 -0.905 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000627489105 484929425 /nfs/dbraw/zinc/92/94/25/484929425.db2.gz RKWSFBZOYMDXLT-UHFFFAOYSA-N 2 1 368.503 -0.084 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@@H](C)O1 ZINC000627489121 484929077 /nfs/dbraw/zinc/92/90/77/484929077.db2.gz RYUWSIKDWSGENV-BZUAXINKSA-N 2 1 370.494 -0.432 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@@H](C)O1 ZINC000627489122 484928656 /nfs/dbraw/zinc/92/86/56/484928656.db2.gz RYUWSIKDWSGENV-OAGGEKHMSA-N 2 1 370.494 -0.432 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627489123 484928940 /nfs/dbraw/zinc/92/89/40/484928940.db2.gz RYUWSIKDWSGENV-OWCLPIDISA-N 2 1 370.494 -0.432 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627489123 484928934 /nfs/dbraw/zinc/92/89/34/484928934.db2.gz RYUWSIKDWSGENV-OWCLPIDISA-N 2 1 370.494 -0.432 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627489124 484928843 /nfs/dbraw/zinc/92/88/43/484928843.db2.gz RYUWSIKDWSGENV-XHSDSOJGSA-N 2 1 370.494 -0.432 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCOCCC[NH3+])C[C@H](C)O1 ZINC000627489124 484928834 /nfs/dbraw/zinc/92/88/34/484928834.db2.gz RYUWSIKDWSGENV-XHSDSOJGSA-N 2 1 370.494 -0.432 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627489331 484929016 /nfs/dbraw/zinc/92/90/16/484929016.db2.gz YUTPVOYERXRVAD-GDBMZVCRSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627489332 484929114 /nfs/dbraw/zinc/92/91/14/484929114.db2.gz YUTPVOYERXRVAD-GOEBONIOSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000627489333 484929206 /nfs/dbraw/zinc/92/92/06/484929206.db2.gz YUTPVOYERXRVAD-HOCLYGCPSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000627489334 484928791 /nfs/dbraw/zinc/92/87/91/484928791.db2.gz YUTPVOYERXRVAD-ZBFHGGJFSA-N 2 1 352.479 -0.057 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000627489706 484929624 /nfs/dbraw/zinc/92/96/24/484929624.db2.gz JJCZFHDXBFBFAR-KRWDZBQOSA-N 2 1 362.474 -0.147 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000627489706 484929619 /nfs/dbraw/zinc/92/96/19/484929619.db2.gz JJCZFHDXBFBFAR-KRWDZBQOSA-N 2 1 362.474 -0.147 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])[C@H](Cc2ccccc2)C1 ZINC000627489707 484929045 /nfs/dbraw/zinc/92/90/45/484929045.db2.gz JJCZFHDXBFBFAR-QGZVFWFLSA-N 2 1 362.474 -0.147 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])[C@H](Cc2ccccc2)C1 ZINC000627489707 484929038 /nfs/dbraw/zinc/92/90/38/484929038.db2.gz JJCZFHDXBFBFAR-QGZVFWFLSA-N 2 1 362.474 -0.147 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@H+]1C ZINC000627497809 484935106 /nfs/dbraw/zinc/93/51/06/484935106.db2.gz YPMLNCTVZVQUKN-CABCVRRESA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@@H+]1C ZINC000627497809 484935101 /nfs/dbraw/zinc/93/51/01/484935101.db2.gz YPMLNCTVZVQUKN-CABCVRRESA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@H+]1C ZINC000627497810 484935524 /nfs/dbraw/zinc/93/55/24/484935524.db2.gz YPMLNCTVZVQUKN-GJZGRUSLSA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@@H+]1C ZINC000627497810 484935520 /nfs/dbraw/zinc/93/55/20/484935520.db2.gz YPMLNCTVZVQUKN-GJZGRUSLSA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@H+]1C ZINC000627497811 484935089 /nfs/dbraw/zinc/93/50/89/484935089.db2.gz YPMLNCTVZVQUKN-HUUCEWRRSA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@@H+]1C ZINC000627497811 484935084 /nfs/dbraw/zinc/93/50/84/484935084.db2.gz YPMLNCTVZVQUKN-HUUCEWRRSA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@H+]1C ZINC000627497812 484935309 /nfs/dbraw/zinc/93/53/09/484935309.db2.gz YPMLNCTVZVQUKN-LSDHHAIUSA-N 2 1 363.466 -0.773 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@@H+]1C ZINC000627497812 484935308 /nfs/dbraw/zinc/93/53/08/484935308.db2.gz YPMLNCTVZVQUKN-LSDHHAIUSA-N 2 1 363.466 -0.773 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000627498752 484935455 /nfs/dbraw/zinc/93/54/55/484935455.db2.gz LXGFDIJUTGWCJA-ARFHVFGLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000627498753 484935019 /nfs/dbraw/zinc/93/50/19/484935019.db2.gz LXGFDIJUTGWCJA-HRCADAONSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000627499435 484934962 /nfs/dbraw/zinc/93/49/62/484934962.db2.gz MTNZLTLSEXFWTK-JKSUJKDBSA-N 2 1 365.522 -0.081 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627499639 484935443 /nfs/dbraw/zinc/93/54/43/484935443.db2.gz UTWKKMXVHQZMFA-VVLHAWIVSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000627499760 484935287 /nfs/dbraw/zinc/93/52/87/484935287.db2.gz ZHJUNSAFAKJLMD-PQAIKRCPSA-N 2 1 363.506 -0.378 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627502137 484936586 /nfs/dbraw/zinc/93/65/86/484936586.db2.gz LTOBKHSAGRZDKR-DOTOQJQBSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627503177 484936380 /nfs/dbraw/zinc/93/63/80/484936380.db2.gz BRIDPIIMHUDTMN-IBEHDNSVSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627503178 484936872 /nfs/dbraw/zinc/93/68/72/484936872.db2.gz BRIDPIIMHUDTMN-RBGFHDKUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627503179 484936536 /nfs/dbraw/zinc/93/65/36/484936536.db2.gz BRIDPIIMHUDTMN-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627503179 484936528 /nfs/dbraw/zinc/93/65/28/484936528.db2.gz BRIDPIIMHUDTMN-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627503180 484936890 /nfs/dbraw/zinc/93/68/90/484936890.db2.gz BRIDPIIMHUDTMN-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627503180 484936883 /nfs/dbraw/zinc/93/68/83/484936883.db2.gz BRIDPIIMHUDTMN-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627503426 484936418 /nfs/dbraw/zinc/93/64/18/484936418.db2.gz MAMWOVITLBJAKI-CWRNSKLLSA-N 2 1 351.495 -0.520 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627503426 484936408 /nfs/dbraw/zinc/93/64/08/484936408.db2.gz MAMWOVITLBJAKI-CWRNSKLLSA-N 2 1 351.495 -0.520 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627503427 484936452 /nfs/dbraw/zinc/93/64/52/484936452.db2.gz MAMWOVITLBJAKI-NUEKZKHPSA-N 2 1 351.495 -0.520 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627503427 484936446 /nfs/dbraw/zinc/93/64/46/484936446.db2.gz MAMWOVITLBJAKI-NUEKZKHPSA-N 2 1 351.495 -0.520 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)(N2CCCCC2)CC1 ZINC000627504346 484936649 /nfs/dbraw/zinc/93/66/49/484936649.db2.gz KGSHIMARZMSMEZ-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000627506430 484936705 /nfs/dbraw/zinc/93/67/05/484936705.db2.gz QHFPRPKHZGLQNC-KGLIPLIRSA-N 2 1 365.503 -0.369 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000627506431 484936856 /nfs/dbraw/zinc/93/68/56/484936856.db2.gz QHFPRPKHZGLQNC-ZIAGYGMSSA-N 2 1 365.503 -0.369 20 0 FBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]21 ZINC000627650474 484960085 /nfs/dbraw/zinc/96/00/85/484960085.db2.gz KHMNKNFSSHLSTH-HPFXQQBRSA-N 2 1 364.490 -0.282 20 0 FBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]21 ZINC000627650475 484960895 /nfs/dbraw/zinc/96/08/95/484960895.db2.gz KHMNKNFSSHLSTH-UIBIWLFHSA-N 2 1 364.490 -0.282 20 0 FBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000628103423 483722922 /nfs/dbraw/zinc/72/29/22/483722922.db2.gz CXPSDGZVNVZJAF-AWEZNQCLSA-N 2 1 364.446 -0.122 20 0 FBADMP C[NH+]1CCN(c2cccc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)n2)CC1 ZINC000628584880 485355719 /nfs/dbraw/zinc/35/57/19/485355719.db2.gz YBNKDPSDDTXGHP-INIZCTEOSA-N 2 1 374.489 -0.097 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000628796157 483944351 /nfs/dbraw/zinc/94/43/51/483944351.db2.gz HTHOAGDTPSXUJV-UHFFFAOYSA-N 2 1 372.535 -0.057 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173506 661766347 /nfs/dbraw/zinc/76/63/47/661766347.db2.gz HRLJGXGGAULJTD-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173506 661766346 /nfs/dbraw/zinc/76/63/46/661766346.db2.gz HRLJGXGGAULJTD-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173507 661766229 /nfs/dbraw/zinc/76/62/29/661766229.db2.gz HRLJGXGGAULJTD-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173507 661766227 /nfs/dbraw/zinc/76/62/27/661766227.db2.gz HRLJGXGGAULJTD-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173508 661766390 /nfs/dbraw/zinc/76/63/90/661766390.db2.gz HRLJGXGGAULJTD-HRCADAONSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173508 661766389 /nfs/dbraw/zinc/76/63/89/661766389.db2.gz HRLJGXGGAULJTD-HRCADAONSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173509 661766300 /nfs/dbraw/zinc/76/63/00/661766300.db2.gz HRLJGXGGAULJTD-OWCLPIDISA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173509 661766299 /nfs/dbraw/zinc/76/62/99/661766299.db2.gz HRLJGXGGAULJTD-OWCLPIDISA-N 2 1 352.479 -0.498 20 0 FBADMP COCCOCCOCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629547091 484380181 /nfs/dbraw/zinc/38/01/81/484380181.db2.gz RKLPICSCCYGSMU-UHFFFAOYSA-N 2 1 358.483 -0.301 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552419 484381720 /nfs/dbraw/zinc/38/17/20/484381720.db2.gz JOCAXBQTNPLXLI-AWEZNQCLSA-N 2 1 370.523 -0.110 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552420 484381678 /nfs/dbraw/zinc/38/16/78/484381678.db2.gz JOCAXBQTNPLXLI-CQSZACIVSA-N 2 1 370.523 -0.110 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000629568192 484386066 /nfs/dbraw/zinc/38/60/66/484386066.db2.gz NQSZONYDOIKINL-UHFFFAOYSA-N 2 1 352.435 -0.268 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000629568192 484386063 /nfs/dbraw/zinc/38/60/63/484386063.db2.gz NQSZONYDOIKINL-UHFFFAOYSA-N 2 1 352.435 -0.268 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000629568330 484386182 /nfs/dbraw/zinc/38/61/82/484386182.db2.gz TWLPWNMFLHJAHK-GFCCVEGCSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000629568330 484386179 /nfs/dbraw/zinc/38/61/79/484386179.db2.gz TWLPWNMFLHJAHK-GFCCVEGCSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000629568331 484385326 /nfs/dbraw/zinc/38/53/26/484385326.db2.gz TWLPWNMFLHJAHK-LBPRGKRZSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000629568331 484385318 /nfs/dbraw/zinc/38/53/18/484385318.db2.gz TWLPWNMFLHJAHK-LBPRGKRZSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629568770 484387331 /nfs/dbraw/zinc/38/73/31/484387331.db2.gz LPCVQWAZUOTEPJ-GFCCVEGCSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629568770 484387327 /nfs/dbraw/zinc/38/73/27/484387327.db2.gz LPCVQWAZUOTEPJ-GFCCVEGCSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629568772 484386700 /nfs/dbraw/zinc/38/67/00/484386700.db2.gz LPCVQWAZUOTEPJ-LBPRGKRZSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629568772 484386693 /nfs/dbraw/zinc/38/66/93/484386693.db2.gz LPCVQWAZUOTEPJ-LBPRGKRZSA-N 2 1 358.464 -0.171 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000629568940 484387639 /nfs/dbraw/zinc/38/76/39/484387639.db2.gz NBBQIDDMVJRNKQ-UHFFFAOYSA-N 2 1 370.475 -0.609 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000629568940 484387633 /nfs/dbraw/zinc/38/76/33/484387633.db2.gz NBBQIDDMVJRNKQ-UHFFFAOYSA-N 2 1 370.475 -0.609 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000629570445 484384577 /nfs/dbraw/zinc/38/45/77/484384577.db2.gz KHLMKPSUXGXSPX-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000629570445 484384570 /nfs/dbraw/zinc/38/45/70/484384570.db2.gz KHLMKPSUXGXSPX-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000629570671 484386150 /nfs/dbraw/zinc/38/61/50/484386150.db2.gz GABWIBCEJFAWDR-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000629570671 484386149 /nfs/dbraw/zinc/38/61/49/484386149.db2.gz GABWIBCEJFAWDR-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000629570722 484386094 /nfs/dbraw/zinc/38/60/94/484386094.db2.gz LWQQGPJXUOPIJR-HNNXBMFYSA-N 2 1 350.467 -0.319 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000629570729 484385938 /nfs/dbraw/zinc/38/59/38/484385938.db2.gz LWQQGPJXUOPIJR-OAHLLOKOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000629571042 484385387 /nfs/dbraw/zinc/38/53/87/484385387.db2.gz OURQXOPYRDCZRL-UHFFFAOYSA-N 2 1 350.467 -0.317 20 0 FBADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c1C ZINC000629575481 484388054 /nfs/dbraw/zinc/38/80/54/484388054.db2.gz NZVOTEGYBGRKPR-UHFFFAOYSA-N 2 1 358.464 -0.204 20 0 FBADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)CCOCC[NH3+])c1C ZINC000629575481 484388050 /nfs/dbraw/zinc/38/80/50/484388050.db2.gz NZVOTEGYBGRKPR-UHFFFAOYSA-N 2 1 358.464 -0.204 20 0 FBADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629575899 484389903 /nfs/dbraw/zinc/38/99/03/484389903.db2.gz PTUTXFTWFUCEIR-AWEZNQCLSA-N 2 1 352.435 -0.140 20 0 FBADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629575903 484389056 /nfs/dbraw/zinc/38/90/56/484389056.db2.gz PTUTXFTWFUCEIR-CQSZACIVSA-N 2 1 352.435 -0.140 20 0 FBADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000629578400 484391032 /nfs/dbraw/zinc/39/10/32/484391032.db2.gz BWYISCXFGJZZAZ-UHFFFAOYSA-N 2 1 356.448 -0.870 20 0 FBADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000629578400 484391029 /nfs/dbraw/zinc/39/10/29/484391029.db2.gz BWYISCXFGJZZAZ-UHFFFAOYSA-N 2 1 356.448 -0.870 20 0 FBADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000629580081 484390909 /nfs/dbraw/zinc/39/09/09/484390909.db2.gz SQFAZBBKEHHMAG-UHFFFAOYSA-N 2 1 354.476 -0.060 20 0 FBADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000629580081 484390900 /nfs/dbraw/zinc/39/09/00/484390900.db2.gz SQFAZBBKEHHMAG-UHFFFAOYSA-N 2 1 354.476 -0.060 20 0 FBADMP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])ccc1C ZINC000629580677 484393287 /nfs/dbraw/zinc/39/32/87/484393287.db2.gz YRQLHAAXIZTAAL-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])ccc1C ZINC000629580677 484393284 /nfs/dbraw/zinc/39/32/84/484393284.db2.gz YRQLHAAXIZTAAL-UHFFFAOYSA-N 2 1 358.464 -0.251 20 0 FBADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580783 484393342 /nfs/dbraw/zinc/39/33/42/484393342.db2.gz YVSOERFPVLYEJL-CHWSQXEVSA-N 2 1 372.491 -0.193 20 0 FBADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580784 484393246 /nfs/dbraw/zinc/39/32/46/484393246.db2.gz YVSOERFPVLYEJL-OLZOCXBDSA-N 2 1 372.491 -0.193 20 0 FBADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629580785 484393323 /nfs/dbraw/zinc/39/33/23/484393323.db2.gz YVSOERFPVLYEJL-QWHCGFSZSA-N 2 1 372.491 -0.193 20 0 FBADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580786 484393306 /nfs/dbraw/zinc/39/33/06/484393306.db2.gz YVSOERFPVLYEJL-STQMWFEESA-N 2 1 372.491 -0.193 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@]3(C)C[NH2+]C[C@@]3(C)C1)c(=O)n2C ZINC000629585561 484394133 /nfs/dbraw/zinc/39/41/33/484394133.db2.gz WRKYRKYNFWTPEY-HDICACEKSA-N 2 1 360.462 -0.245 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@]3(C)C[NH2+]C[C@@]3(C)C1)c(=O)n2C ZINC000629585561 484394127 /nfs/dbraw/zinc/39/41/27/484394127.db2.gz WRKYRKYNFWTPEY-HDICACEKSA-N 2 1 360.462 -0.245 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000629786886 484432677 /nfs/dbraw/zinc/43/26/77/484432677.db2.gz JRPLXPZYUBLKQQ-UHFFFAOYSA-N 2 1 362.474 -0.193 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000629789546 484433088 /nfs/dbraw/zinc/43/30/88/484433088.db2.gz IWNRZLQOIOFZPC-UHFFFAOYSA-N 2 1 368.503 -0.132 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000629792027 484434626 /nfs/dbraw/zinc/43/46/26/484434626.db2.gz FWYYFHSTBIDIED-UHFFFAOYSA-N 2 1 363.462 -0.267 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000629793635 484435211 /nfs/dbraw/zinc/43/52/11/484435211.db2.gz JWPHQSHRXGYOBA-UHFFFAOYSA-N 2 1 368.400 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@@H](C)O1 ZINC000629793742 484435415 /nfs/dbraw/zinc/43/54/15/484435415.db2.gz LGPJYEJJHOIPPM-BZUAXINKSA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@@H](C)O1 ZINC000629793744 484435583 /nfs/dbraw/zinc/43/55/83/484435583.db2.gz LGPJYEJJHOIPPM-OAGGEKHMSA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629793745 484435246 /nfs/dbraw/zinc/43/52/46/484435246.db2.gz LGPJYEJJHOIPPM-OWCLPIDISA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629793745 484435242 /nfs/dbraw/zinc/43/52/42/484435242.db2.gz LGPJYEJJHOIPPM-OWCLPIDISA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629793746 484435363 /nfs/dbraw/zinc/43/53/63/484435363.db2.gz LGPJYEJJHOIPPM-XHSDSOJGSA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629793746 484435356 /nfs/dbraw/zinc/43/53/56/484435356.db2.gz LGPJYEJJHOIPPM-XHSDSOJGSA-N 2 1 370.494 -0.480 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629794419 484435229 /nfs/dbraw/zinc/43/52/29/484435229.db2.gz BKLUZTXICSCQBH-HDICACEKSA-N 2 1 352.479 -0.641 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000629795661 484436170 /nfs/dbraw/zinc/43/61/70/484436170.db2.gz KQXSWUFJEFPXDD-INIZCTEOSA-N 2 1 369.510 -0.953 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000629795661 484436162 /nfs/dbraw/zinc/43/61/62/484436162.db2.gz KQXSWUFJEFPXDD-INIZCTEOSA-N 2 1 369.510 -0.953 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629795665 484436140 /nfs/dbraw/zinc/43/61/40/484436140.db2.gz ZXYCFNLGPGZGFB-IYBDPMFKSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000629795672 484435907 /nfs/dbraw/zinc/43/59/07/484435907.db2.gz KQXSWUFJEFPXDD-MRXNPFEDSA-N 2 1 369.510 -0.953 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000629795672 484435903 /nfs/dbraw/zinc/43/59/03/484435903.db2.gz KQXSWUFJEFPXDD-MRXNPFEDSA-N 2 1 369.510 -0.953 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796283 484435163 /nfs/dbraw/zinc/43/51/63/484435163.db2.gz ILIVXNNXBYWVKF-KDURUIRLSA-N 2 1 365.522 -0.460 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000629796403 484439261 /nfs/dbraw/zinc/43/92/61/484439261.db2.gz JLHHPSYZDJNMRE-INIZCTEOSA-N 2 1 369.510 -0.951 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000629796407 484439068 /nfs/dbraw/zinc/43/90/68/484439068.db2.gz JLHHPSYZDJNMRE-MRXNPFEDSA-N 2 1 369.510 -0.951 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629797736 484436583 /nfs/dbraw/zinc/43/65/83/484436583.db2.gz PMUWKJHWILNJEP-KDURUIRLSA-N 2 1 366.506 -0.250 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000629797840 484436705 /nfs/dbraw/zinc/43/67/05/484436705.db2.gz RZXWTPZNLYNJAY-UHFFFAOYSA-N 2 1 367.494 -0.804 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629798409 484437357 /nfs/dbraw/zinc/43/73/57/484437357.db2.gz JQWDZLWQKUMIOM-CQSZACIVSA-N 2 1 356.467 -0.868 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000629799395 484437202 /nfs/dbraw/zinc/43/72/02/484437202.db2.gz PIRWQRSPMVYHFG-OAHLLOKOSA-N 2 1 370.494 -0.608 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000629799424 484437157 /nfs/dbraw/zinc/43/71/57/484437157.db2.gz PWBKCRVRZZACIF-KDURUIRLSA-N 2 1 364.490 -0.232 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629799584 484437586 /nfs/dbraw/zinc/43/75/86/484437586.db2.gz JQWDZLWQKUMIOM-AWEZNQCLSA-N 2 1 356.467 -0.868 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000629800150 484438213 /nfs/dbraw/zinc/43/82/13/484438213.db2.gz PIRWQRSPMVYHFG-HNNXBMFYSA-N 2 1 370.494 -0.608 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000629800230 484438358 /nfs/dbraw/zinc/43/83/58/484438358.db2.gz YCZYLXRVTMYNMM-UHFFFAOYSA-N 2 1 356.467 -0.996 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000629800895 484438145 /nfs/dbraw/zinc/43/81/45/484438145.db2.gz DDEJRWUEMHUNCK-UHFFFAOYSA-N 2 1 358.483 -0.763 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000629800929 484438498 /nfs/dbraw/zinc/43/84/98/484438498.db2.gz DYDAJWRGRWGMBX-LZQZEXGQSA-N 2 1 364.490 -0.375 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000629800930 484438434 /nfs/dbraw/zinc/43/84/34/484438434.db2.gz DYDAJWRGRWGMBX-ZYSHUDEJSA-N 2 1 364.490 -0.375 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000629800995 484438462 /nfs/dbraw/zinc/43/84/62/484438462.db2.gz GCDMDOTUJWSLLA-XYPWUTKMSA-N 2 1 351.495 -0.437 20 0 FBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000629801794 484438318 /nfs/dbraw/zinc/43/83/18/484438318.db2.gz IYIIYFIQTMDVCB-UHFFFAOYSA-N 2 1 353.511 -0.189 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@H+]1CC(C)(C)O ZINC000629802287 484439290 /nfs/dbraw/zinc/43/92/90/484439290.db2.gz SXSFUYKGVKNDMY-ZMYBRWDISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000629802287 484439287 /nfs/dbraw/zinc/43/92/87/484439287.db2.gz SXSFUYKGVKNDMY-ZMYBRWDISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@H+]1CC(C)(C)O ZINC000629802289 484439219 /nfs/dbraw/zinc/43/92/19/484439219.db2.gz SXSFUYKGVKNDMY-ZOCIIQOWSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000629802289 484439216 /nfs/dbraw/zinc/43/92/16/484439216.db2.gz SXSFUYKGVKNDMY-ZOCIIQOWSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629802430 484439207 /nfs/dbraw/zinc/43/92/07/484439207.db2.gz NLWXFDUKPWJHHW-ZMYBRWDISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629802430 484439204 /nfs/dbraw/zinc/43/92/04/484439204.db2.gz NLWXFDUKPWJHHW-ZMYBRWDISA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629802431 484439466 /nfs/dbraw/zinc/43/94/66/484439466.db2.gz NLWXFDUKPWJHHW-ZOCIIQOWSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629802431 484439460 /nfs/dbraw/zinc/43/94/60/484439460.db2.gz NLWXFDUKPWJHHW-ZOCIIQOWSA-N 2 1 366.506 -0.252 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629804376 484440291 /nfs/dbraw/zinc/44/02/91/484440291.db2.gz TYSVUTJJKSBJAZ-GDBMZVCRSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629804383 484440032 /nfs/dbraw/zinc/44/00/32/484440032.db2.gz TYSVUTJJKSBJAZ-GOEBONIOSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629804386 484440213 /nfs/dbraw/zinc/44/02/13/484440213.db2.gz TYSVUTJJKSBJAZ-HOCLYGCPSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629804388 484440059 /nfs/dbraw/zinc/44/00/59/484440059.db2.gz TYSVUTJJKSBJAZ-ZBFHGGJFSA-N 2 1 352.479 -0.105 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000629807799 484442714 /nfs/dbraw/zinc/44/27/14/484442714.db2.gz DRUUZJHSNOVHHZ-UHFFFAOYSA-N 2 1 358.483 -0.750 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000629811513 484443380 /nfs/dbraw/zinc/44/33/80/484443380.db2.gz FZKPAZVSARDZID-INIZCTEOSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000629811514 484444089 /nfs/dbraw/zinc/44/40/89/484444089.db2.gz FZKPAZVSARDZID-MRXNPFEDSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000629811985 484442568 /nfs/dbraw/zinc/44/25/68/484442568.db2.gz IZTKQWABEYQQOI-INIZCTEOSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000629811988 484442888 /nfs/dbraw/zinc/44/28/88/484442888.db2.gz IZTKQWABEYQQOI-MRXNPFEDSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000629814214 484445756 /nfs/dbraw/zinc/44/57/56/484445756.db2.gz MEEWBKUTZOQFRY-CVEARBPZSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000629814215 484445457 /nfs/dbraw/zinc/44/54/57/484445457.db2.gz MEEWBKUTZOQFRY-HOTGVXAUSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000629814216 484445083 /nfs/dbraw/zinc/44/50/83/484445083.db2.gz MEEWBKUTZOQFRY-HZPDHXFCSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000629814217 484444861 /nfs/dbraw/zinc/44/48/61/484444861.db2.gz MEEWBKUTZOQFRY-JKSUJKDBSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000629815658 484445620 /nfs/dbraw/zinc/44/56/20/484445620.db2.gz RMHIVHSIXUHIEN-INIZCTEOSA-N 2 1 355.527 -0.215 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000629815659 484445222 /nfs/dbraw/zinc/44/52/22/484445222.db2.gz RMHIVHSIXUHIEN-MRXNPFEDSA-N 2 1 355.527 -0.215 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000629816080 484444783 /nfs/dbraw/zinc/44/47/83/484444783.db2.gz UUZRCNSZSBVMJL-DLBZAZTESA-N 2 1 365.522 -0.319 20 0 FBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000629816081 484445283 /nfs/dbraw/zinc/44/52/83/484445283.db2.gz UUZRCNSZSBVMJL-IAGOWNOFSA-N 2 1 365.522 -0.319 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000629816082 484446187 /nfs/dbraw/zinc/44/61/87/484446187.db2.gz UUZRCNSZSBVMJL-IRXDYDNUSA-N 2 1 365.522 -0.319 20 0 FBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000629816083 484445914 /nfs/dbraw/zinc/44/59/14/484445914.db2.gz UUZRCNSZSBVMJL-SJORKVTESA-N 2 1 365.522 -0.319 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000629820263 484448809 /nfs/dbraw/zinc/44/88/09/484448809.db2.gz YWQMSXJJPFPHLK-KRWDZBQOSA-N 2 1 362.474 -0.195 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000629820263 484448806 /nfs/dbraw/zinc/44/88/06/484448806.db2.gz YWQMSXJJPFPHLK-KRWDZBQOSA-N 2 1 362.474 -0.195 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000629820264 484448838 /nfs/dbraw/zinc/44/88/38/484448838.db2.gz YWQMSXJJPFPHLK-QGZVFWFLSA-N 2 1 362.474 -0.195 20 0 FBADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000629820264 484448835 /nfs/dbraw/zinc/44/88/35/484448835.db2.gz YWQMSXJJPFPHLK-QGZVFWFLSA-N 2 1 362.474 -0.195 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000629822360 484449731 /nfs/dbraw/zinc/44/97/31/484449731.db2.gz LVLCAWLLBVZGID-MHGIMSBQSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)[N@H+]1CCO ZINC000629822360 484449726 /nfs/dbraw/zinc/44/97/26/484449726.db2.gz LVLCAWLLBVZGID-MHGIMSBQSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C2 ZINC000629822888 484449771 /nfs/dbraw/zinc/44/97/71/484449771.db2.gz QUTFALKAXBBJGM-HDICACEKSA-N 2 1 352.479 -0.641 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C2 ZINC000629822888 484449767 /nfs/dbraw/zinc/44/97/67/484449767.db2.gz QUTFALKAXBBJGM-HDICACEKSA-N 2 1 352.479 -0.641 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CC[NH+](C)C ZINC000629823240 484449914 /nfs/dbraw/zinc/44/99/14/484449914.db2.gz XMWGBKYMZQVGHG-KDURUIRLSA-N 2 1 367.538 -0.214 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629823240 484449910 /nfs/dbraw/zinc/44/99/10/484449910.db2.gz XMWGBKYMZQVGHG-KDURUIRLSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913169 484474642 /nfs/dbraw/zinc/47/46/42/484474642.db2.gz HRLJGXGGAULJTD-JYJNAYRXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000629913169 484474637 /nfs/dbraw/zinc/47/46/37/484474637.db2.gz HRLJGXGGAULJTD-JYJNAYRXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913169 484474633 /nfs/dbraw/zinc/47/46/33/484474633.db2.gz HRLJGXGGAULJTD-JYJNAYRXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913170 484474617 /nfs/dbraw/zinc/47/46/17/484474617.db2.gz HRLJGXGGAULJTD-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000629913170 484474615 /nfs/dbraw/zinc/47/46/15/484474615.db2.gz HRLJGXGGAULJTD-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913170 484474611 /nfs/dbraw/zinc/47/46/11/484474611.db2.gz HRLJGXGGAULJTD-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913171 484474676 /nfs/dbraw/zinc/47/46/76/484474676.db2.gz HRLJGXGGAULJTD-PMPSAXMXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000629913171 484474672 /nfs/dbraw/zinc/47/46/72/484474672.db2.gz HRLJGXGGAULJTD-PMPSAXMXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913171 484474669 /nfs/dbraw/zinc/47/46/69/484474669.db2.gz HRLJGXGGAULJTD-PMPSAXMXSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913172 484474461 /nfs/dbraw/zinc/47/44/61/484474461.db2.gz HRLJGXGGAULJTD-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000629913172 484474457 /nfs/dbraw/zinc/47/44/57/484474457.db2.gz HRLJGXGGAULJTD-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913172 484474452 /nfs/dbraw/zinc/47/44/52/484474452.db2.gz HRLJGXGGAULJTD-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992704 484543827 /nfs/dbraw/zinc/54/38/27/484543827.db2.gz BIVVQJXGKMUQDU-DZGCQCFKSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992704 484543821 /nfs/dbraw/zinc/54/38/21/484543821.db2.gz BIVVQJXGKMUQDU-DZGCQCFKSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1=O ZINC000629992704 484543815 /nfs/dbraw/zinc/54/38/15/484543815.db2.gz BIVVQJXGKMUQDU-DZGCQCFKSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992706 484544666 /nfs/dbraw/zinc/54/46/66/484544666.db2.gz BIVVQJXGKMUQDU-HIFRSBDPSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992706 484544660 /nfs/dbraw/zinc/54/46/60/484544660.db2.gz BIVVQJXGKMUQDU-HIFRSBDPSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)CC1=O ZINC000629992706 484544651 /nfs/dbraw/zinc/54/46/51/484544651.db2.gz BIVVQJXGKMUQDU-HIFRSBDPSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992708 484544014 /nfs/dbraw/zinc/54/40/14/484544014.db2.gz BIVVQJXGKMUQDU-UKRRQHHQSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992708 484544008 /nfs/dbraw/zinc/54/40/08/484544008.db2.gz BIVVQJXGKMUQDU-UKRRQHHQSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)CC1=O ZINC000629992708 484544003 /nfs/dbraw/zinc/54/40/03/484544003.db2.gz BIVVQJXGKMUQDU-UKRRQHHQSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992710 484544791 /nfs/dbraw/zinc/54/47/91/484544791.db2.gz BIVVQJXGKMUQDU-ZFWWWQNUSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1=O ZINC000629992710 484544784 /nfs/dbraw/zinc/54/47/84/484544784.db2.gz BIVVQJXGKMUQDU-ZFWWWQNUSA-N 2 1 351.451 -0.116 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1=O ZINC000629992710 484544778 /nfs/dbraw/zinc/54/47/78/484544778.db2.gz BIVVQJXGKMUQDU-ZFWWWQNUSA-N 2 1 351.451 -0.116 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(C)(N3CCOCC3)CC2)C1=O ZINC000630382301 484660401 /nfs/dbraw/zinc/66/04/01/484660401.db2.gz GSEATXVJWRZFBM-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(C)(N3CCOCC3)CC2)C1=O ZINC000630382304 484660192 /nfs/dbraw/zinc/66/01/92/484660192.db2.gz GSEATXVJWRZFBM-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384427 484662663 /nfs/dbraw/zinc/66/26/63/484662663.db2.gz ZBLPUFLQTWSCEJ-KBPBESRZSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384427 484662659 /nfs/dbraw/zinc/66/26/59/484662659.db2.gz ZBLPUFLQTWSCEJ-KBPBESRZSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384428 484663202 /nfs/dbraw/zinc/66/32/02/484663202.db2.gz ZBLPUFLQTWSCEJ-KGLIPLIRSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384428 484663198 /nfs/dbraw/zinc/66/31/98/484663198.db2.gz ZBLPUFLQTWSCEJ-KGLIPLIRSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384429 484662968 /nfs/dbraw/zinc/66/29/68/484662968.db2.gz ZBLPUFLQTWSCEJ-UONOGXRCSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384429 484662963 /nfs/dbraw/zinc/66/29/63/484662963.db2.gz ZBLPUFLQTWSCEJ-UONOGXRCSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384430 484662362 /nfs/dbraw/zinc/66/23/62/484662362.db2.gz ZBLPUFLQTWSCEJ-ZIAGYGMSSA-N 2 1 374.507 -0.673 20 0 FBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000630384430 484662358 /nfs/dbraw/zinc/66/23/58/484662358.db2.gz ZBLPUFLQTWSCEJ-ZIAGYGMSSA-N 2 1 374.507 -0.673 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000630897809 484333468 /nfs/dbraw/zinc/33/34/68/484333468.db2.gz KTOPOCWDYRCAIA-AWEZNQCLSA-N 2 1 350.467 -0.238 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000630897811 484333680 /nfs/dbraw/zinc/33/36/80/484333680.db2.gz KTOPOCWDYRCAIA-CQSZACIVSA-N 2 1 350.467 -0.238 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631201416 485009922 /nfs/dbraw/zinc/00/99/22/485009922.db2.gz REGBWSXOFWWZDD-UHFFFAOYSA-N 2 1 350.467 -0.273 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000631325034 485012083 /nfs/dbraw/zinc/01/20/83/485012083.db2.gz LPYHZGRPEJDBLL-KRWDZBQOSA-N 2 1 364.494 -0.419 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000631325035 485011369 /nfs/dbraw/zinc/01/13/69/485011369.db2.gz LPYHZGRPEJDBLL-QGZVFWFLSA-N 2 1 364.494 -0.419 20 0 FBADMP CN1CCN(CCCS(=O)(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000631656565 485015043 /nfs/dbraw/zinc/01/50/43/485015043.db2.gz UDEZKBIQDRVYGE-UHFFFAOYSA-N 2 1 362.540 -0.346 20 0 FBADMP C[NH+](C)CCCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000631749713 484945367 /nfs/dbraw/zinc/94/53/67/484945367.db2.gz VDTSJVABQXQZMH-UHFFFAOYSA-N 2 1 360.524 -0.246 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631807719 485021979 /nfs/dbraw/zinc/02/19/79/485021979.db2.gz OCFNBTGWMDLLRM-UHFFFAOYSA-N 2 1 350.467 -0.319 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631813334 485022884 /nfs/dbraw/zinc/02/28/84/485022884.db2.gz NBDRWSGJKPTIIF-UHFFFAOYSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000631822917 485021836 /nfs/dbraw/zinc/02/18/36/485021836.db2.gz RSUZIVPVJPHSOO-UHFFFAOYSA-N 2 1 360.524 -0.009 20 0 FBADMP CCC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000631822917 485021833 /nfs/dbraw/zinc/02/18/33/485021833.db2.gz RSUZIVPVJPHSOO-UHFFFAOYSA-N 2 1 360.524 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000631823492 485022812 /nfs/dbraw/zinc/02/28/12/485022812.db2.gz FYTQJJIOQJMROA-AEGPPILISA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000631823492 485022808 /nfs/dbraw/zinc/02/28/08/485022808.db2.gz FYTQJJIOQJMROA-AEGPPILISA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000631823493 485022442 /nfs/dbraw/zinc/02/24/42/485022442.db2.gz FYTQJJIOQJMROA-CFVMTHIKSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000631823493 485022435 /nfs/dbraw/zinc/02/24/35/485022435.db2.gz FYTQJJIOQJMROA-CFVMTHIKSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000631823494 485022475 /nfs/dbraw/zinc/02/24/75/485022475.db2.gz FYTQJJIOQJMROA-NWANDNLSSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000631823494 485022470 /nfs/dbraw/zinc/02/24/70/485022470.db2.gz FYTQJJIOQJMROA-NWANDNLSSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000631823495 485022320 /nfs/dbraw/zinc/02/23/20/485022320.db2.gz FYTQJJIOQJMROA-QEJZJMRPSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000631823495 485022313 /nfs/dbraw/zinc/02/23/13/485022313.db2.gz FYTQJJIOQJMROA-QEJZJMRPSA-N 2 1 358.508 -0.414 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827335 485022486 /nfs/dbraw/zinc/02/24/86/485022486.db2.gz LVLPECCCODMNST-CABCVRRESA-N 2 1 372.535 -0.152 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827336 485022530 /nfs/dbraw/zinc/02/25/30/485022530.db2.gz LVLPECCCODMNST-GJZGRUSLSA-N 2 1 372.535 -0.152 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827337 485025459 /nfs/dbraw/zinc/02/54/59/485025459.db2.gz LVLPECCCODMNST-HUUCEWRRSA-N 2 1 372.535 -0.152 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827338 485025342 /nfs/dbraw/zinc/02/53/42/485025342.db2.gz LVLPECCCODMNST-LSDHHAIUSA-N 2 1 372.535 -0.152 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631827448 485024177 /nfs/dbraw/zinc/02/41/77/485024177.db2.gz OPHSXNPPDAIRPN-GDBMZVCRSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631827448 485024171 /nfs/dbraw/zinc/02/41/71/485024171.db2.gz OPHSXNPPDAIRPN-GDBMZVCRSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631827449 485025065 /nfs/dbraw/zinc/02/50/65/485025065.db2.gz OPHSXNPPDAIRPN-GOEBONIOSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631827449 485025058 /nfs/dbraw/zinc/02/50/58/485025058.db2.gz OPHSXNPPDAIRPN-GOEBONIOSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631827450 485024839 /nfs/dbraw/zinc/02/48/39/485024839.db2.gz OPHSXNPPDAIRPN-HOCLYGCPSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631827450 485024831 /nfs/dbraw/zinc/02/48/31/485024831.db2.gz OPHSXNPPDAIRPN-HOCLYGCPSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631827451 485024034 /nfs/dbraw/zinc/02/40/34/485024034.db2.gz OPHSXNPPDAIRPN-ZBFHGGJFSA-N 2 1 372.535 -0.009 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631827451 485024026 /nfs/dbraw/zinc/02/40/26/485024026.db2.gz OPHSXNPPDAIRPN-ZBFHGGJFSA-N 2 1 372.535 -0.009 20 0 FBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631828583 485025185 /nfs/dbraw/zinc/02/51/85/485025185.db2.gz SJPIFYXMKVPROG-HZSPNIEDSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631828583 485025176 /nfs/dbraw/zinc/02/51/76/485025176.db2.gz SJPIFYXMKVPROG-HZSPNIEDSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631828584 485024265 /nfs/dbraw/zinc/02/42/65/485024265.db2.gz SJPIFYXMKVPROG-MCIONIFRSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631828584 485024258 /nfs/dbraw/zinc/02/42/58/485024258.db2.gz SJPIFYXMKVPROG-MCIONIFRSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631828585 485025384 /nfs/dbraw/zinc/02/53/84/485025384.db2.gz SJPIFYXMKVPROG-MGPQQGTHSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631828585 485025375 /nfs/dbraw/zinc/02/53/75/485025375.db2.gz SJPIFYXMKVPROG-MGPQQGTHSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631828586 485025162 /nfs/dbraw/zinc/02/51/62/485025162.db2.gz SJPIFYXMKVPROG-RDBSUJKOSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631828586 485025158 /nfs/dbraw/zinc/02/51/58/485025158.db2.gz SJPIFYXMKVPROG-RDBSUJKOSA-N 2 1 360.524 -0.168 20 0 FBADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC000631829135 485024076 /nfs/dbraw/zinc/02/40/76/485024076.db2.gz IDKDTJUXDDMEMV-DZGCQCFKSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC000631829135 485024071 /nfs/dbraw/zinc/02/40/71/485024071.db2.gz IDKDTJUXDDMEMV-DZGCQCFKSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC000631829136 485024457 /nfs/dbraw/zinc/02/44/57/485024457.db2.gz IDKDTJUXDDMEMV-HIFRSBDPSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC000631829136 485024456 /nfs/dbraw/zinc/02/44/56/485024456.db2.gz IDKDTJUXDDMEMV-HIFRSBDPSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC000631829137 485025021 /nfs/dbraw/zinc/02/50/21/485025021.db2.gz IDKDTJUXDDMEMV-UKRRQHHQSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC000631829137 485025012 /nfs/dbraw/zinc/02/50/12/485025012.db2.gz IDKDTJUXDDMEMV-UKRRQHHQSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC000631829138 485024820 /nfs/dbraw/zinc/02/48/20/485024820.db2.gz IDKDTJUXDDMEMV-ZFWWWQNUSA-N 2 1 360.524 -0.024 20 0 FBADMP C[C@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC000631829138 485024813 /nfs/dbraw/zinc/02/48/13/485024813.db2.gz IDKDTJUXDDMEMV-ZFWWWQNUSA-N 2 1 360.524 -0.024 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000631829169 485024716 /nfs/dbraw/zinc/02/47/16/485024716.db2.gz JDJRFIOVIYBAEP-BBRMVZONSA-N 2 1 358.508 -0.413 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000631829169 485024707 /nfs/dbraw/zinc/02/47/07/485024707.db2.gz JDJRFIOVIYBAEP-BBRMVZONSA-N 2 1 358.508 -0.413 20 0 FBADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829266 485025295 /nfs/dbraw/zinc/02/52/95/485025295.db2.gz MFRSOSGBMKNKOP-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829267 485024206 /nfs/dbraw/zinc/02/42/06/485024206.db2.gz MFRSOSGBMKNKOP-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C[NH3+] ZINC000631839879 485025114 /nfs/dbraw/zinc/02/51/14/485025114.db2.gz LYYLQBXMDGACAD-ZIAGYGMSSA-N 2 1 372.477 -0.462 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C[NH3+] ZINC000631839879 485025106 /nfs/dbraw/zinc/02/51/06/485025106.db2.gz LYYLQBXMDGACAD-ZIAGYGMSSA-N 2 1 372.477 -0.462 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000631840720 485024127 /nfs/dbraw/zinc/02/41/27/485024127.db2.gz UTXYBVONIVHACX-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000631840720 485024116 /nfs/dbraw/zinc/02/41/16/485024116.db2.gz UTXYBVONIVHACX-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)N1CCN(c2ncccn2)CC1 ZINC000631863779 485026370 /nfs/dbraw/zinc/02/63/70/485026370.db2.gz CNISNHAFLJLJKV-UHFFFAOYSA-N 2 1 362.478 -0.438 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH2+]CCO)CC2)C1 ZINC000631864580 485026749 /nfs/dbraw/zinc/02/67/49/485026749.db2.gz QXOBZCKQJNMUFE-KRWDZBQOSA-N 2 1 356.511 -0.494 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH2+]CCO)CC2)C1 ZINC000631864582 485026514 /nfs/dbraw/zinc/02/65/14/485026514.db2.gz QXOBZCKQJNMUFE-QGZVFWFLSA-N 2 1 356.511 -0.494 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882620 485028735 /nfs/dbraw/zinc/02/87/35/485028735.db2.gz HNTUTMFZDAWXCW-HNNXBMFYSA-N 2 1 360.524 -0.021 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882621 485027839 /nfs/dbraw/zinc/02/78/39/485027839.db2.gz HNTUTMFZDAWXCW-OAHLLOKOSA-N 2 1 360.524 -0.021 20 0 FBADMP NS(=O)(=O)c1cccc2c1CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000631884640 485028180 /nfs/dbraw/zinc/02/81/80/485028180.db2.gz MNFWPYBHMHYGLZ-UHFFFAOYSA-N 2 1 352.460 -0.486 20 0 FBADMP NS(=O)(=O)c1cccc2c1CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000631884640 485028174 /nfs/dbraw/zinc/02/81/74/485028174.db2.gz MNFWPYBHMHYGLZ-UHFFFAOYSA-N 2 1 352.460 -0.486 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000631887550 485028663 /nfs/dbraw/zinc/02/86/63/485028663.db2.gz OHZSNGPQSDOPGJ-INIZCTEOSA-N 2 1 362.478 -0.177 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000631887551 485028871 /nfs/dbraw/zinc/02/88/71/485028871.db2.gz OHZSNGPQSDOPGJ-MRXNPFEDSA-N 2 1 362.478 -0.177 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H]3C[NH2+]CC[C@@H]31)c(=O)n2C ZINC000631890761 485028430 /nfs/dbraw/zinc/02/84/30/485028430.db2.gz UYVYBNRZZJWVGD-KBPBESRZSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H]3C[NH2+]CC[C@@H]31)c(=O)n2C ZINC000631890768 485027771 /nfs/dbraw/zinc/02/77/71/485027771.db2.gz UYVYBNRZZJWVGD-KGLIPLIRSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H]3C[NH2+]CC[C@H]31)c(=O)n2C ZINC000631890769 485028085 /nfs/dbraw/zinc/02/80/85/485028085.db2.gz UYVYBNRZZJWVGD-UONOGXRCSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H]3C[NH2+]CC[C@H]31)c(=O)n2C ZINC000631890770 485028987 /nfs/dbraw/zinc/02/89/87/485028987.db2.gz UYVYBNRZZJWVGD-ZIAGYGMSSA-N 2 1 360.462 -0.102 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631895076 484945894 /nfs/dbraw/zinc/94/58/94/484945894.db2.gz LLLPNKNMWLHHPX-INIZCTEOSA-N 2 1 362.540 -0.346 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631895077 484945861 /nfs/dbraw/zinc/94/58/61/484945861.db2.gz LLLPNKNMWLHHPX-MRXNPFEDSA-N 2 1 362.540 -0.346 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000631898185 485002164 /nfs/dbraw/zinc/00/21/64/485002164.db2.gz CEITXDQJCCQWAF-UHFFFAOYSA-N 2 1 358.508 -0.350 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631899762 485030312 /nfs/dbraw/zinc/03/03/12/485030312.db2.gz XHHHMYLFRQJRRC-UHFFFAOYSA-N 2 1 360.524 -0.104 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000631901719 485030977 /nfs/dbraw/zinc/03/09/77/485030977.db2.gz MDXQOJUKXOSCIN-AWEZNQCLSA-N 2 1 358.508 -0.446 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000631901720 485030863 /nfs/dbraw/zinc/03/08/63/485030863.db2.gz MDXQOJUKXOSCIN-CQSZACIVSA-N 2 1 358.508 -0.446 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000631908891 483917897 /nfs/dbraw/zinc/91/78/97/483917897.db2.gz FBAMAADHCCWNKS-CABCVRRESA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000631908892 483918495 /nfs/dbraw/zinc/91/84/95/483918495.db2.gz FBAMAADHCCWNKS-GJZGRUSLSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000631908893 485030588 /nfs/dbraw/zinc/03/05/88/485030588.db2.gz FBAMAADHCCWNKS-HUUCEWRRSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000631908894 485030663 /nfs/dbraw/zinc/03/06/63/485030663.db2.gz FBAMAADHCCWNKS-LSDHHAIUSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631909238 485030394 /nfs/dbraw/zinc/03/03/94/485030394.db2.gz YJGBNHSCTIBPCT-HNNXBMFYSA-N 2 1 350.529 -0.490 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000631909239 485029662 /nfs/dbraw/zinc/02/96/62/485029662.db2.gz YJGBNHSCTIBPCT-OAHLLOKOSA-N 2 1 350.529 -0.490 20 0 FBADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000631913095 485032645 /nfs/dbraw/zinc/03/26/45/485032645.db2.gz DOGNZIRBIHKQMT-INIZCTEOSA-N 2 1 354.476 -0.046 20 0 FBADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000631913096 485032267 /nfs/dbraw/zinc/03/22/67/485032267.db2.gz DOGNZIRBIHKQMT-MRXNPFEDSA-N 2 1 354.476 -0.046 20 0 FBADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000631913326 485032742 /nfs/dbraw/zinc/03/27/42/485032742.db2.gz JASARTGIBNWONV-INIZCTEOSA-N 2 1 354.476 -0.046 20 0 FBADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000631913327 485032464 /nfs/dbraw/zinc/03/24/64/485032464.db2.gz JASARTGIBNWONV-MRXNPFEDSA-N 2 1 354.476 -0.046 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631916737 485032628 /nfs/dbraw/zinc/03/26/28/485032628.db2.gz CXUJPTXGKAWCMF-BBWFWOEESA-N 2 1 374.551 -0.205 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631916739 485032109 /nfs/dbraw/zinc/03/21/09/485032109.db2.gz CXUJPTXGKAWCMF-IXDOHACOSA-N 2 1 374.551 -0.205 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631918545 485034607 /nfs/dbraw/zinc/03/46/07/485034607.db2.gz GIZZYZMNPODPLW-CVEARBPZSA-N 2 1 360.524 -0.594 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631918546 485034477 /nfs/dbraw/zinc/03/44/77/485034477.db2.gz GIZZYZMNPODPLW-HOTGVXAUSA-N 2 1 360.524 -0.594 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631918547 485034685 /nfs/dbraw/zinc/03/46/85/485034685.db2.gz GIZZYZMNPODPLW-HZPDHXFCSA-N 2 1 360.524 -0.594 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631918548 485033851 /nfs/dbraw/zinc/03/38/51/485033851.db2.gz GIZZYZMNPODPLW-JKSUJKDBSA-N 2 1 360.524 -0.594 20 0 FBADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000631920337 485034079 /nfs/dbraw/zinc/03/40/79/485034079.db2.gz XRZMTKGPEBAZEB-INIZCTEOSA-N 2 1 359.540 -0.373 20 0 FBADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631920338 485034283 /nfs/dbraw/zinc/03/42/83/485034283.db2.gz XRZMTKGPEBAZEB-MRXNPFEDSA-N 2 1 359.540 -0.373 20 0 FBADMP Cc1cc(N2CCC(NS(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)nc(C)[nH+]1 ZINC000631926231 485036487 /nfs/dbraw/zinc/03/64/87/485036487.db2.gz RGRWFOKLXSJFRZ-HNNXBMFYSA-N 2 1 369.491 -0.030 20 0 FBADMP Cc1cc(N2CCC(NS(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)nc(C)[nH+]1 ZINC000631926232 485036313 /nfs/dbraw/zinc/03/63/13/485036313.db2.gz RGRWFOKLXSJFRZ-OAHLLOKOSA-N 2 1 369.491 -0.030 20 0 FBADMP O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631930159 485035469 /nfs/dbraw/zinc/03/54/69/485035469.db2.gz YNAGICQESXUYBX-HNNXBMFYSA-N 2 1 358.508 -0.302 20 0 FBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631930160 485037326 /nfs/dbraw/zinc/03/73/26/485037326.db2.gz YNAGICQESXUYBX-OAHLLOKOSA-N 2 1 358.508 -0.302 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000631936092 485037395 /nfs/dbraw/zinc/03/73/95/485037395.db2.gz SGLUDQKGDWKWSF-LLVKDONJSA-N 2 1 358.430 -0.164 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000631936093 485036891 /nfs/dbraw/zinc/03/68/91/485036891.db2.gz SGLUDQKGDWKWSF-NSHDSACASA-N 2 1 358.430 -0.164 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631952492 485040759 /nfs/dbraw/zinc/04/07/59/485040759.db2.gz JVBXYYKILVTQNT-UHFFFAOYSA-N 2 1 360.524 -0.009 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000631953229 484150366 /nfs/dbraw/zinc/15/03/66/484150366.db2.gz GBCXJKLSYMLVOH-UHFFFAOYSA-N 2 1 359.496 -0.947 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631958434 485040711 /nfs/dbraw/zinc/04/07/11/485040711.db2.gz SJKWGGDGFZVLRN-HNNXBMFYSA-N 2 1 361.508 -0.119 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631958435 485040277 /nfs/dbraw/zinc/04/02/77/485040277.db2.gz SJKWGGDGFZVLRN-OAHLLOKOSA-N 2 1 361.508 -0.119 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000632113099 485055328 /nfs/dbraw/zinc/05/53/28/485055328.db2.gz RENQZJRTHVWJTR-AWEZNQCLSA-N 2 1 358.508 -0.351 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000632113099 485055323 /nfs/dbraw/zinc/05/53/23/485055323.db2.gz RENQZJRTHVWJTR-AWEZNQCLSA-N 2 1 358.508 -0.351 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000632113100 485054201 /nfs/dbraw/zinc/05/42/01/485054201.db2.gz RENQZJRTHVWJTR-CQSZACIVSA-N 2 1 358.508 -0.351 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000632113100 485054194 /nfs/dbraw/zinc/05/41/94/485054194.db2.gz RENQZJRTHVWJTR-CQSZACIVSA-N 2 1 358.508 -0.351 20 0 FBADMP C[C@H](O)CN1CCN(S(=O)(=O)CCCN2CCN(C)CC2)[C@H](C)C1 ZINC000632239245 485059567 /nfs/dbraw/zinc/05/95/67/485059567.db2.gz HYWAUQNYCGIYTE-CVEARBPZSA-N 2 1 362.540 -0.659 20 0 FBADMP C[C@H](O)CN1CCN(S(=O)(=O)CCCN2CCN(C)CC2)[C@@H](C)C1 ZINC000632239246 485059668 /nfs/dbraw/zinc/05/96/68/485059668.db2.gz HYWAUQNYCGIYTE-HOTGVXAUSA-N 2 1 362.540 -0.659 20 0 FBADMP C[C@@H](O)CN1CCN(S(=O)(=O)CCCN2CCN(C)CC2)[C@H](C)C1 ZINC000632239247 485059731 /nfs/dbraw/zinc/05/97/31/485059731.db2.gz HYWAUQNYCGIYTE-HZPDHXFCSA-N 2 1 362.540 -0.659 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632285675 485063722 /nfs/dbraw/zinc/06/37/22/485063722.db2.gz ZBDPFLNANYMHPY-GDBMZVCRSA-N 2 1 361.508 -0.168 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632285675 485063720 /nfs/dbraw/zinc/06/37/20/485063720.db2.gz ZBDPFLNANYMHPY-GDBMZVCRSA-N 2 1 361.508 -0.168 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632285676 485064581 /nfs/dbraw/zinc/06/45/81/485064581.db2.gz ZBDPFLNANYMHPY-ZBFHGGJFSA-N 2 1 361.508 -0.168 20 0 FBADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632285676 485064579 /nfs/dbraw/zinc/06/45/79/485064579.db2.gz ZBDPFLNANYMHPY-ZBFHGGJFSA-N 2 1 361.508 -0.168 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NS(=O)(=O)CCC[NH+](C)C)C2 ZINC000632334015 485068848 /nfs/dbraw/zinc/06/88/48/485068848.db2.gz SAHDIKDZEXUURP-GOOCMWNKSA-N 2 1 360.524 -0.059 20 0 FBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NS(=O)(=O)CCC[NH+](C)C)C2 ZINC000632334015 485068845 /nfs/dbraw/zinc/06/88/45/485068845.db2.gz SAHDIKDZEXUURP-GOOCMWNKSA-N 2 1 360.524 -0.059 20 0 FBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632362625 485071089 /nfs/dbraw/zinc/07/10/89/485071089.db2.gz MJXLJCYEHARQEV-HZPDHXFCSA-N 2 1 362.540 -0.659 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000632363794 485071029 /nfs/dbraw/zinc/07/10/29/485071029.db2.gz YITCYZIWVHVCGE-UHFFFAOYSA-N 2 1 360.524 -0.008 20 0 FBADMP CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@H]2C1 ZINC000632369764 485071356 /nfs/dbraw/zinc/07/13/56/485071356.db2.gz XATYOBMCKQLHAK-DLBZAZTESA-N 2 1 374.551 -0.251 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000632389113 485073304 /nfs/dbraw/zinc/07/33/04/485073304.db2.gz LHRRDXVRZWCYHC-INIZCTEOSA-N 2 1 362.540 -0.610 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000632389114 485072996 /nfs/dbraw/zinc/07/29/96/485072996.db2.gz LHRRDXVRZWCYHC-MRXNPFEDSA-N 2 1 362.540 -0.610 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000632389135 485073414 /nfs/dbraw/zinc/07/34/14/485073414.db2.gz LQVKIEQKEDXVDA-INIZCTEOSA-N 2 1 362.540 -0.610 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000632389136 485072493 /nfs/dbraw/zinc/07/24/93/485072493.db2.gz LQVKIEQKEDXVDA-MRXNPFEDSA-N 2 1 362.540 -0.610 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000632453459 485076454 /nfs/dbraw/zinc/07/64/54/485076454.db2.gz DRUFFRZLJVEJPX-UHFFFAOYSA-N 2 1 374.551 -0.203 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000632604082 485092483 /nfs/dbraw/zinc/09/24/83/485092483.db2.gz XADMBMXUJQSMFD-UHFFFAOYSA-N 2 1 374.489 -0.284 20 0 FBADMP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000632658227 485095153 /nfs/dbraw/zinc/09/51/53/485095153.db2.gz MCUDHCZQLJSQAN-JKSUJKDBSA-N 2 1 364.490 -0.259 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CCc2cnccn2)CC1)[C@H]1CCN(C)C1 ZINC000632660321 485095489 /nfs/dbraw/zinc/09/54/89/485095489.db2.gz HFYOYOWPNAQCFH-KRWDZBQOSA-N 2 1 374.489 -0.284 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CCc2cnccn2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000632660321 485095483 /nfs/dbraw/zinc/09/54/83/485095483.db2.gz HFYOYOWPNAQCFH-KRWDZBQOSA-N 2 1 374.489 -0.284 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CCc2cnccn2)CC1)[C@@H]1CCN(C)C1 ZINC000632660322 485094554 /nfs/dbraw/zinc/09/45/54/485094554.db2.gz HFYOYOWPNAQCFH-QGZVFWFLSA-N 2 1 374.489 -0.284 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CCc2cnccn2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000632660322 485094549 /nfs/dbraw/zinc/09/45/49/485094549.db2.gz HFYOYOWPNAQCFH-QGZVFWFLSA-N 2 1 374.489 -0.284 20 0 FBADMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000632723285 485103758 /nfs/dbraw/zinc/10/37/58/485103758.db2.gz PROCPHGDXOOEOK-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000633027163 485112973 /nfs/dbraw/zinc/11/29/73/485112973.db2.gz LJGYIGNCHGECNT-HOTGVXAUSA-N 2 1 371.441 -0.415 20 0 FBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000633035935 485113609 /nfs/dbraw/zinc/11/36/09/485113609.db2.gz HBMOGMLRYCUQKX-DZGCQCFKSA-N 2 1 373.457 -0.039 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000633035936 485113635 /nfs/dbraw/zinc/11/36/35/485113635.db2.gz HBMOGMLRYCUQKX-HIFRSBDPSA-N 2 1 373.457 -0.039 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000633035938 485113218 /nfs/dbraw/zinc/11/32/18/485113218.db2.gz HBMOGMLRYCUQKX-UKRRQHHQSA-N 2 1 373.457 -0.039 20 0 FBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000633035940 485113150 /nfs/dbraw/zinc/11/31/50/485113150.db2.gz HBMOGMLRYCUQKX-ZFWWWQNUSA-N 2 1 373.457 -0.039 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083171 485115822 /nfs/dbraw/zinc/11/58/22/485115822.db2.gz SUWOFCQJZBYMBS-GASCZTMLSA-N 3 1 351.495 -0.566 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083171 485115818 /nfs/dbraw/zinc/11/58/18/485115818.db2.gz SUWOFCQJZBYMBS-GASCZTMLSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](C)O1 ZINC000633084267 485115396 /nfs/dbraw/zinc/11/53/96/485115396.db2.gz HAERRWUJVZIGMF-LJIZCISZSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084268 485115340 /nfs/dbraw/zinc/11/53/40/485115340.db2.gz HAERRWUJVZIGMF-NPJQDHAYSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084268 485115338 /nfs/dbraw/zinc/11/53/38/485115338.db2.gz HAERRWUJVZIGMF-NPJQDHAYSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](C)O1 ZINC000633084270 485115258 /nfs/dbraw/zinc/11/52/58/485115258.db2.gz HAERRWUJVZIGMF-OWYFMNJBSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084272 485115622 /nfs/dbraw/zinc/11/56/22/485115622.db2.gz HAERRWUJVZIGMF-QRJUGERDSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084272 485115618 /nfs/dbraw/zinc/11/56/18/485115618.db2.gz HAERRWUJVZIGMF-QRJUGERDSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000633084425 485115532 /nfs/dbraw/zinc/11/55/32/485115532.db2.gz ZOCVUZHIGKIWMZ-HUUCEWRRSA-N 3 1 353.511 -0.476 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000633084425 485115530 /nfs/dbraw/zinc/11/55/30/485115530.db2.gz ZOCVUZHIGKIWMZ-HUUCEWRRSA-N 2 1 353.511 -0.476 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086339 485115727 /nfs/dbraw/zinc/11/57/27/485115727.db2.gz PVQAHNNZNQSDIV-YVSFHVDLSA-N 2 1 363.506 -0.424 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087295 485116731 /nfs/dbraw/zinc/11/67/31/485116731.db2.gz CTXFCDDERXCZPC-DLBZAZTESA-N 2 1 365.522 -0.045 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087296 485116467 /nfs/dbraw/zinc/11/64/67/485116467.db2.gz CTXFCDDERXCZPC-IAGOWNOFSA-N 2 1 365.522 -0.045 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087297 485116969 /nfs/dbraw/zinc/11/69/69/485116969.db2.gz CTXFCDDERXCZPC-IRXDYDNUSA-N 2 1 365.522 -0.045 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087298 485116477 /nfs/dbraw/zinc/11/64/77/485116477.db2.gz CTXFCDDERXCZPC-SJORKVTESA-N 2 1 365.522 -0.045 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000633087982 485116563 /nfs/dbraw/zinc/11/65/63/485116563.db2.gz CIWTYHLOMCQQDO-HLLBOEOZSA-N 2 1 363.506 -0.424 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633087982 485116561 /nfs/dbraw/zinc/11/65/61/485116561.db2.gz CIWTYHLOMCQQDO-HLLBOEOZSA-N 2 1 363.506 -0.424 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000633087983 485116234 /nfs/dbraw/zinc/11/62/34/485116234.db2.gz CIWTYHLOMCQQDO-UXLLHSPISA-N 2 1 363.506 -0.424 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633087983 485116231 /nfs/dbraw/zinc/11/62/31/485116231.db2.gz CIWTYHLOMCQQDO-UXLLHSPISA-N 2 1 363.506 -0.424 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088046 485116775 /nfs/dbraw/zinc/11/67/75/485116775.db2.gz JUFLRTOEXDNPDF-BZUAXINKSA-N 2 1 351.495 -0.722 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088047 485116368 /nfs/dbraw/zinc/11/63/68/485116368.db2.gz JUFLRTOEXDNPDF-OAGGEKHMSA-N 2 1 351.495 -0.722 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089036 485116930 /nfs/dbraw/zinc/11/69/30/485116930.db2.gz KUVDSFMBMRUJBW-BFYDXBDKSA-N 2 1 365.522 -0.334 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089036 485116924 /nfs/dbraw/zinc/11/69/24/485116924.db2.gz KUVDSFMBMRUJBW-BFYDXBDKSA-N 2 1 365.522 -0.334 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089038 485116402 /nfs/dbraw/zinc/11/64/02/485116402.db2.gz KUVDSFMBMRUJBW-INMHGKMJSA-N 2 1 365.522 -0.334 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089038 485116398 /nfs/dbraw/zinc/11/63/98/485116398.db2.gz KUVDSFMBMRUJBW-INMHGKMJSA-N 2 1 365.522 -0.334 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633089546 485116643 /nfs/dbraw/zinc/11/66/43/485116643.db2.gz NEMCQUVRTOYJOJ-BBWFWOEESA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633089551 485116586 /nfs/dbraw/zinc/11/65/86/485116586.db2.gz NEMCQUVRTOYJOJ-IXDOHACOSA-N 2 1 363.506 -0.422 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633092131 485117683 /nfs/dbraw/zinc/11/76/83/485117683.db2.gz NICSUADCVOKKJP-INIZCTEOSA-N 2 1 353.511 -0.188 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633092132 485118012 /nfs/dbraw/zinc/11/80/12/485118012.db2.gz NICSUADCVOKKJP-MRXNPFEDSA-N 2 1 353.511 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000633093466 485117498 /nfs/dbraw/zinc/11/74/98/485117498.db2.gz BEASXXAMRHKRJC-QLFBSQMISA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000633093467 485117430 /nfs/dbraw/zinc/11/74/30/485117430.db2.gz BEASXXAMRHKRJC-RBSFLKMASA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093815 485117897 /nfs/dbraw/zinc/11/78/97/485117897.db2.gz DPQKVJAYDMNKKR-KFWWJZLASA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093820 485117468 /nfs/dbraw/zinc/11/74/68/485117468.db2.gz DPQKVJAYDMNKKR-SOUVJXGZSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633094252 485117518 /nfs/dbraw/zinc/11/75/18/485117518.db2.gz LERJWGIQIPXMIA-WMZOPIPTSA-N 2 1 371.485 -0.160 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633096277 485117774 /nfs/dbraw/zinc/11/77/74/485117774.db2.gz CVMUMIYHMQGWLO-HNNXBMFYSA-N 2 1 367.494 -0.661 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633096278 485117526 /nfs/dbraw/zinc/11/75/26/485117526.db2.gz CVMUMIYHMQGWLO-OAHLLOKOSA-N 2 1 367.494 -0.661 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633096809 485117672 /nfs/dbraw/zinc/11/76/72/485117672.db2.gz AEOMYPUMFYTUDM-RDJZCZTQSA-N 2 1 363.506 -0.424 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633098489 485117360 /nfs/dbraw/zinc/11/73/60/485117360.db2.gz MLETVVPDOOOLBF-GASCZTMLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000633099137 485118841 /nfs/dbraw/zinc/11/88/41/485118841.db2.gz PWALKCVPZDUMMN-HUUCEWRRSA-N 2 1 354.495 -0.144 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000633099184 485118590 /nfs/dbraw/zinc/11/85/90/485118590.db2.gz IWEFAQHGMGOZEV-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000633099184 485118586 /nfs/dbraw/zinc/11/85/86/485118586.db2.gz IWEFAQHGMGOZEV-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000633100927 485119290 /nfs/dbraw/zinc/11/92/90/485119290.db2.gz STGNQHHBSRNJTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000633100927 485119285 /nfs/dbraw/zinc/11/92/85/485119285.db2.gz STGNQHHBSRNJTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000633100928 485119351 /nfs/dbraw/zinc/11/93/51/485119351.db2.gz STGNQHHBSRNJTA-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000633100928 485119344 /nfs/dbraw/zinc/11/93/44/485119344.db2.gz STGNQHHBSRNJTA-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000633102465 485119277 /nfs/dbraw/zinc/11/92/77/485119277.db2.gz UBTNTULGDXNFLW-CVEARBPZSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000633102466 485118698 /nfs/dbraw/zinc/11/86/98/485118698.db2.gz UBTNTULGDXNFLW-HOTGVXAUSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000633102467 485119324 /nfs/dbraw/zinc/11/93/24/485119324.db2.gz UBTNTULGDXNFLW-HZPDHXFCSA-N 2 1 352.479 -0.103 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000633102469 485118829 /nfs/dbraw/zinc/11/88/29/485118829.db2.gz UBTNTULGDXNFLW-JKSUJKDBSA-N 2 1 352.479 -0.103 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633116055 485122740 /nfs/dbraw/zinc/12/27/40/485122740.db2.gz OKTUAGIATQYGDO-TWMKSMIVSA-N 2 1 365.522 -0.049 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633116057 485122620 /nfs/dbraw/zinc/12/26/20/485122620.db2.gz OKTUAGIATQYGDO-YYIAUSFCSA-N 2 1 365.522 -0.049 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118047 485122432 /nfs/dbraw/zinc/12/24/32/485122432.db2.gz HWFIKJTVXNRDTK-CVEARBPZSA-N 2 1 365.522 -0.049 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118048 485122519 /nfs/dbraw/zinc/12/25/19/485122519.db2.gz HWFIKJTVXNRDTK-HOTGVXAUSA-N 2 1 365.522 -0.049 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118049 485122700 /nfs/dbraw/zinc/12/27/00/485122700.db2.gz HWFIKJTVXNRDTK-HZPDHXFCSA-N 2 1 365.522 -0.049 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118050 485122594 /nfs/dbraw/zinc/12/25/94/485122594.db2.gz HWFIKJTVXNRDTK-JKSUJKDBSA-N 2 1 365.522 -0.049 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000633138441 485123613 /nfs/dbraw/zinc/12/36/13/485123613.db2.gz CCJSISOULIJEFF-BZUAXINKSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000633138442 485123578 /nfs/dbraw/zinc/12/35/78/485123578.db2.gz CCJSISOULIJEFF-OAGGEKHMSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000633138443 485123393 /nfs/dbraw/zinc/12/33/93/485123393.db2.gz CCJSISOULIJEFF-OWCLPIDISA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000633138444 485123427 /nfs/dbraw/zinc/12/34/27/485123427.db2.gz CCJSISOULIJEFF-PMPSAXMXSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000633149360 485123637 /nfs/dbraw/zinc/12/36/37/485123637.db2.gz WWNCQALESISPNC-DNLWUEFJSA-N 2 1 363.506 -0.296 20 0 FBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000633149361 485123485 /nfs/dbraw/zinc/12/34/85/485123485.db2.gz WWNCQALESISPNC-HCMIALLCSA-N 2 1 363.506 -0.296 20 0 FBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000633149362 485123291 /nfs/dbraw/zinc/12/32/91/485123291.db2.gz WWNCQALESISPNC-UIJGJVKASA-N 2 1 363.506 -0.296 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000633149363 485123627 /nfs/dbraw/zinc/12/36/27/485123627.db2.gz WWNCQALESISPNC-VPEURPPWSA-N 2 1 363.506 -0.296 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916523 485132883 /nfs/dbraw/zinc/13/28/83/485132883.db2.gz REANPCLSQPWJSK-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916523 485132878 /nfs/dbraw/zinc/13/28/78/485132878.db2.gz REANPCLSQPWJSK-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)C[NH+]3CC[C@H](C)C3)COC2)C1 ZINC000633916523 485132873 /nfs/dbraw/zinc/13/28/73/485132873.db2.gz REANPCLSQPWJSK-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916524 485132713 /nfs/dbraw/zinc/13/27/13/485132713.db2.gz REANPCLSQPWJSK-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916524 485132708 /nfs/dbraw/zinc/13/27/08/485132708.db2.gz REANPCLSQPWJSK-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916524 485132705 /nfs/dbraw/zinc/13/27/05/485132705.db2.gz REANPCLSQPWJSK-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@@H](C)C3)COC2)C1 ZINC000633916525 485132304 /nfs/dbraw/zinc/13/23/04/485132304.db2.gz REANPCLSQPWJSK-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)COC2)C1 ZINC000633916525 485132299 /nfs/dbraw/zinc/13/22/99/485132299.db2.gz REANPCLSQPWJSK-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)COC2)C1 ZINC000633916525 485132292 /nfs/dbraw/zinc/13/22/92/485132292.db2.gz REANPCLSQPWJSK-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)C[NH+]3CC[C@H](C)C3)COC2)C1 ZINC000633916526 485133002 /nfs/dbraw/zinc/13/30/02/485133002.db2.gz REANPCLSQPWJSK-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)C[NH+]3CC[C@H](C)C3)COC2)C1 ZINC000633916526 485132998 /nfs/dbraw/zinc/13/29/98/485132998.db2.gz REANPCLSQPWJSK-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)COC2)C1 ZINC000633916526 485132993 /nfs/dbraw/zinc/13/29/93/485132993.db2.gz REANPCLSQPWJSK-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)COC2)CC[NH+]1C ZINC000633917043 485132826 /nfs/dbraw/zinc/13/28/26/485132826.db2.gz UKBQXWAXPRGZJB-KBUPBQIOSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)COC2)CC[NH+]1C ZINC000633917043 485132820 /nfs/dbraw/zinc/13/28/20/485132820.db2.gz UKBQXWAXPRGZJB-KBUPBQIOSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)COC2)CC[NH+]1C ZINC000633917043 485132817 /nfs/dbraw/zinc/13/28/17/485132817.db2.gz UKBQXWAXPRGZJB-KBUPBQIOSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000634233558 485137577 /nfs/dbraw/zinc/13/75/77/485137577.db2.gz UFCCMOIPLGPYIR-BZUAXINKSA-N 2 1 367.494 -0.299 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000634233559 485137678 /nfs/dbraw/zinc/13/76/78/485137678.db2.gz UFCCMOIPLGPYIR-OAGGEKHMSA-N 2 1 367.494 -0.299 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000634233560 485137369 /nfs/dbraw/zinc/13/73/69/485137369.db2.gz UFCCMOIPLGPYIR-OWCLPIDISA-N 2 1 367.494 -0.299 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000634233560 485137365 /nfs/dbraw/zinc/13/73/65/485137365.db2.gz UFCCMOIPLGPYIR-OWCLPIDISA-N 2 1 367.494 -0.299 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000634233561 485137800 /nfs/dbraw/zinc/13/78/00/485137800.db2.gz UFCCMOIPLGPYIR-XHSDSOJGSA-N 2 1 367.494 -0.299 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000634233561 485137796 /nfs/dbraw/zinc/13/77/96/485137796.db2.gz UFCCMOIPLGPYIR-XHSDSOJGSA-N 2 1 367.494 -0.299 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768887 483795253 /nfs/dbraw/zinc/79/52/53/483795253.db2.gz DNYNKQAIYIXJFF-GJYPPUQNSA-N 2 1 364.490 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768888 483794999 /nfs/dbraw/zinc/79/49/99/483794999.db2.gz DNYNKQAIYIXJFF-MDZRGWNJSA-N 2 1 364.490 -0.042 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635543016 484037875 /nfs/dbraw/zinc/03/78/75/484037875.db2.gz KHYOHRAJJNDPBN-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635543017 484037631 /nfs/dbraw/zinc/03/76/31/484037631.db2.gz KHYOHRAJJNDPBN-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635543018 484037890 /nfs/dbraw/zinc/03/78/90/484037890.db2.gz KHYOHRAJJNDPBN-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635543019 484037442 /nfs/dbraw/zinc/03/74/42/484037442.db2.gz KHYOHRAJJNDPBN-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635560151 484055302 /nfs/dbraw/zinc/05/53/02/484055302.db2.gz YMKWXUSBEPZNNE-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635560160 484054549 /nfs/dbraw/zinc/05/45/49/484054549.db2.gz YMKWXUSBEPZNNE-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635560162 484055240 /nfs/dbraw/zinc/05/52/40/484055240.db2.gz YMKWXUSBEPZNNE-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635560164 484054470 /nfs/dbraw/zinc/05/44/70/484054470.db2.gz YMKWXUSBEPZNNE-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000635573676 484065131 /nfs/dbraw/zinc/06/51/31/484065131.db2.gz YJVUAOAMDLPMPO-KRWDZBQOSA-N 2 1 368.522 -0.133 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000635573677 484065808 /nfs/dbraw/zinc/06/58/08/484065808.db2.gz YJVUAOAMDLPMPO-QGZVFWFLSA-N 2 1 368.522 -0.133 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635689886 484094590 /nfs/dbraw/zinc/09/45/90/484094590.db2.gz OUMAZCOBVLFTPH-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122406 /nfs/dbraw/zinc/12/24/06/484122406.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122404 /nfs/dbraw/zinc/12/24/04/484122404.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122399 /nfs/dbraw/zinc/12/23/99/484122399.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122590 /nfs/dbraw/zinc/12/25/90/484122590.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122589 /nfs/dbraw/zinc/12/25/89/484122589.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122584 /nfs/dbraw/zinc/12/25/84/484122584.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121958 /nfs/dbraw/zinc/12/19/58/484121958.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121955 /nfs/dbraw/zinc/12/19/55/484121955.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121951 /nfs/dbraw/zinc/12/19/51/484121951.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122439 /nfs/dbraw/zinc/12/24/39/484122439.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122436 /nfs/dbraw/zinc/12/24/36/484122436.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 2 1 368.478 -0.855 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122431 /nfs/dbraw/zinc/12/24/31/484122431.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 2 1 368.478 -0.855 20 0 FBADMP CN(C[C@@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635958296 484123340 /nfs/dbraw/zinc/12/33/40/484123340.db2.gz VAIBNYCNRPDQGH-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635958296 484123333 /nfs/dbraw/zinc/12/33/33/484123333.db2.gz VAIBNYCNRPDQGH-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635958296 484123329 /nfs/dbraw/zinc/12/33/29/484123329.db2.gz VAIBNYCNRPDQGH-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161409 484197587 /nfs/dbraw/zinc/19/75/87/484197587.db2.gz KAEVINNLMHAKDO-ARFHVFGLSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161409 484197580 /nfs/dbraw/zinc/19/75/80/484197580.db2.gz KAEVINNLMHAKDO-ARFHVFGLSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161417 484197995 /nfs/dbraw/zinc/19/79/95/484197995.db2.gz KAEVINNLMHAKDO-HRCADAONSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161417 484197989 /nfs/dbraw/zinc/19/79/89/484197989.db2.gz KAEVINNLMHAKDO-HRCADAONSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161419 484197353 /nfs/dbraw/zinc/19/73/53/484197353.db2.gz KAEVINNLMHAKDO-JYJNAYRXSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161419 484197349 /nfs/dbraw/zinc/19/73/49/484197349.db2.gz KAEVINNLMHAKDO-JYJNAYRXSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161423 484197726 /nfs/dbraw/zinc/19/77/26/484197726.db2.gz KAEVINNLMHAKDO-XHSDSOJGSA-N 2 1 364.494 -0.196 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161423 484197718 /nfs/dbraw/zinc/19/77/18/484197718.db2.gz KAEVINNLMHAKDO-XHSDSOJGSA-N 2 1 364.494 -0.196 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)COC1 ZINC000636307286 484243175 /nfs/dbraw/zinc/24/31/75/484243175.db2.gz JHHCOZRIIOTDJA-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)COC1 ZINC000636307286 484243170 /nfs/dbraw/zinc/24/31/70/484243170.db2.gz JHHCOZRIIOTDJA-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)COC1 ZINC000636307286 484243165 /nfs/dbraw/zinc/24/31/65/484243165.db2.gz JHHCOZRIIOTDJA-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307821 484243402 /nfs/dbraw/zinc/24/34/02/484243402.db2.gz QTLQUJJDLDFTLQ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC2(NC(=O)C[C@@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307821 484243397 /nfs/dbraw/zinc/24/33/97/484243397.db2.gz QTLQUJJDLDFTLQ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307821 484243388 /nfs/dbraw/zinc/24/33/88/484243388.db2.gz QTLQUJJDLDFTLQ-CABCVRRESA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307822 484243654 /nfs/dbraw/zinc/24/36/54/484243654.db2.gz QTLQUJJDLDFTLQ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC2(NC(=O)C[C@@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307822 484243645 /nfs/dbraw/zinc/24/36/45/484243645.db2.gz QTLQUJJDLDFTLQ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307822 484243638 /nfs/dbraw/zinc/24/36/38/484243638.db2.gz QTLQUJJDLDFTLQ-GJZGRUSLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307823 484243497 /nfs/dbraw/zinc/24/34/97/484243497.db2.gz QTLQUJJDLDFTLQ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC2(NC(=O)C[C@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307823 484243491 /nfs/dbraw/zinc/24/34/91/484243491.db2.gz QTLQUJJDLDFTLQ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307823 484243486 /nfs/dbraw/zinc/24/34/86/484243486.db2.gz QTLQUJJDLDFTLQ-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307824 484243063 /nfs/dbraw/zinc/24/30/63/484243063.db2.gz QTLQUJJDLDFTLQ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC2(NC(=O)C[C@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307824 484243058 /nfs/dbraw/zinc/24/30/58/484243058.db2.gz QTLQUJJDLDFTLQ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)COC2)C1 ZINC000636307824 484243054 /nfs/dbraw/zinc/24/30/54/484243054.db2.gz QTLQUJJDLDFTLQ-LSDHHAIUSA-N 2 1 352.479 -0.329 20 0 FBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000636318151 484250101 /nfs/dbraw/zinc/25/01/01/484250101.db2.gz QZYXUHPDYQXVDN-FQEVSTJZSA-N 2 1 374.485 -0.144 20 0 FBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000636318151 484250096 /nfs/dbraw/zinc/25/00/96/484250096.db2.gz QZYXUHPDYQXVDN-FQEVSTJZSA-N 2 1 374.485 -0.144 20 0 FBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000636318152 484250044 /nfs/dbraw/zinc/25/00/44/484250044.db2.gz QZYXUHPDYQXVDN-HXUWFJFHSA-N 2 1 374.485 -0.144 20 0 FBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000636318152 484250041 /nfs/dbraw/zinc/25/00/41/484250041.db2.gz QZYXUHPDYQXVDN-HXUWFJFHSA-N 2 1 374.485 -0.144 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636443978 484313364 /nfs/dbraw/zinc/31/33/64/484313364.db2.gz KRVOSSPUAWPNSH-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636443978 484313361 /nfs/dbraw/zinc/31/33/61/484313361.db2.gz KRVOSSPUAWPNSH-INIZCTEOSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636443979 484312908 /nfs/dbraw/zinc/31/29/08/484312908.db2.gz KRVOSSPUAWPNSH-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636443979 484312901 /nfs/dbraw/zinc/31/29/01/484312901.db2.gz KRVOSSPUAWPNSH-MRXNPFEDSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2)CC1 ZINC000636517419 483502684 /nfs/dbraw/zinc/50/26/84/483502684.db2.gz JKVZEHOVJUJKPO-INIZCTEOSA-N 2 1 362.478 -0.301 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2)CC1 ZINC000636517420 483502918 /nfs/dbraw/zinc/50/29/18/483502918.db2.gz JKVZEHOVJUJKPO-MRXNPFEDSA-N 2 1 362.478 -0.301 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC000636539666 483530090 /nfs/dbraw/zinc/53/00/90/483530090.db2.gz YJBCQIJWQMBUOD-INIZCTEOSA-N 2 1 362.478 -0.301 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC000636539667 483530785 /nfs/dbraw/zinc/53/07/85/483530785.db2.gz YJBCQIJWQMBUOD-MRXNPFEDSA-N 2 1 362.478 -0.301 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636569507 483583174 /nfs/dbraw/zinc/58/31/74/483583174.db2.gz OAWZGTPWMXJDIH-HNNXBMFYSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636569507 483583172 /nfs/dbraw/zinc/58/31/72/483583172.db2.gz OAWZGTPWMXJDIH-HNNXBMFYSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636569508 483582819 /nfs/dbraw/zinc/58/28/19/483582819.db2.gz OAWZGTPWMXJDIH-OAHLLOKOSA-N 2 1 355.483 -0.657 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636569508 483582815 /nfs/dbraw/zinc/58/28/15/483582815.db2.gz OAWZGTPWMXJDIH-OAHLLOKOSA-N 2 1 355.483 -0.657 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC000636612815 483593480 /nfs/dbraw/zinc/59/34/80/483593480.db2.gz QASMZDCKBKGOFA-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000636628266 483596213 /nfs/dbraw/zinc/59/62/13/483596213.db2.gz MHHQRTWWCKTATN-GDBMZVCRSA-N 2 1 358.508 -0.440 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000636628267 483596247 /nfs/dbraw/zinc/59/62/47/483596247.db2.gz MHHQRTWWCKTATN-GOEBONIOSA-N 2 1 358.508 -0.440 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000636628268 483596537 /nfs/dbraw/zinc/59/65/37/483596537.db2.gz MHHQRTWWCKTATN-HOCLYGCPSA-N 2 1 358.508 -0.440 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000636628269 483596029 /nfs/dbraw/zinc/59/60/29/483596029.db2.gz MHHQRTWWCKTATN-ZBFHGGJFSA-N 2 1 358.508 -0.440 20 0 FBADMP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636655940 483634330 /nfs/dbraw/zinc/63/43/30/483634330.db2.gz YDOAAPOKGILWBC-INIZCTEOSA-N 2 1 362.478 -0.301 20 0 FBADMP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636655941 483634267 /nfs/dbraw/zinc/63/42/67/483634267.db2.gz YDOAAPOKGILWBC-MRXNPFEDSA-N 2 1 362.478 -0.301 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636661266 483659608 /nfs/dbraw/zinc/65/96/08/483659608.db2.gz HETWZAAAUNACRM-UHFFFAOYSA-N 2 1 370.494 -0.606 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000636678319 483823862 /nfs/dbraw/zinc/82/38/62/483823862.db2.gz XLCMVULSGXBHMO-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000636678319 483823861 /nfs/dbraw/zinc/82/38/61/483823861.db2.gz XLCMVULSGXBHMO-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678319 483823860 /nfs/dbraw/zinc/82/38/60/483823860.db2.gz XLCMVULSGXBHMO-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000636678321 483823738 /nfs/dbraw/zinc/82/37/38/483823738.db2.gz XLCMVULSGXBHMO-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000636678321 483823737 /nfs/dbraw/zinc/82/37/37/483823737.db2.gz XLCMVULSGXBHMO-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678321 483823735 /nfs/dbraw/zinc/82/37/35/483823735.db2.gz XLCMVULSGXBHMO-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000636678324 483823869 /nfs/dbraw/zinc/82/38/69/483823869.db2.gz XLCMVULSGXBHMO-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000636678324 483823868 /nfs/dbraw/zinc/82/38/68/483823868.db2.gz XLCMVULSGXBHMO-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678324 483823867 /nfs/dbraw/zinc/82/38/67/483823867.db2.gz XLCMVULSGXBHMO-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000636678326 483823812 /nfs/dbraw/zinc/82/38/12/483823812.db2.gz XLCMVULSGXBHMO-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000636678326 483823811 /nfs/dbraw/zinc/82/38/11/483823811.db2.gz XLCMVULSGXBHMO-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678326 483823809 /nfs/dbraw/zinc/82/38/09/483823809.db2.gz XLCMVULSGXBHMO-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000636680393 483826115 /nfs/dbraw/zinc/82/61/15/483826115.db2.gz LHQPAHQSHOGJPJ-KRWDZBQOSA-N 2 1 353.511 -0.089 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000636680394 483826401 /nfs/dbraw/zinc/82/64/01/483826401.db2.gz LHQPAHQSHOGJPJ-QGZVFWFLSA-N 2 1 353.511 -0.089 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636700114 483832685 /nfs/dbraw/zinc/83/26/85/483832685.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636700114 483832682 /nfs/dbraw/zinc/83/26/82/483832682.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636700114 483832679 /nfs/dbraw/zinc/83/26/79/483832679.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636700115 483832486 /nfs/dbraw/zinc/83/24/86/483832486.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636700115 483832483 /nfs/dbraw/zinc/83/24/83/483832483.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636700115 483832481 /nfs/dbraw/zinc/83/24/81/483832481.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636700116 483832591 /nfs/dbraw/zinc/83/25/91/483832591.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636700116 483832589 /nfs/dbraw/zinc/83/25/89/483832589.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636700116 483832587 /nfs/dbraw/zinc/83/25/87/483832587.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636700117 483832468 /nfs/dbraw/zinc/83/24/68/483832468.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636700117 483832467 /nfs/dbraw/zinc/83/24/67/483832467.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636700117 483832465 /nfs/dbraw/zinc/83/24/65/483832465.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 2 1 355.483 -0.705 20 0 FBADMP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000636701261 483832745 /nfs/dbraw/zinc/83/27/45/483832745.db2.gz KTSIXXJVEFZEGO-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000636701262 483832623 /nfs/dbraw/zinc/83/26/23/483832623.db2.gz KTSIXXJVEFZEGO-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636702569 483833127 /nfs/dbraw/zinc/83/31/27/483833127.db2.gz XBJSVPCGZRMAAM-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636702570 483832892 /nfs/dbraw/zinc/83/28/92/483832892.db2.gz XBJSVPCGZRMAAM-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636716645 483836226 /nfs/dbraw/zinc/83/62/26/483836226.db2.gz QKHRNQQJJPSRIP-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636716645 483836224 /nfs/dbraw/zinc/83/62/24/483836224.db2.gz QKHRNQQJJPSRIP-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000636716645 483836222 /nfs/dbraw/zinc/83/62/22/483836222.db2.gz QKHRNQQJJPSRIP-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636716646 483836162 /nfs/dbraw/zinc/83/61/62/483836162.db2.gz QKHRNQQJJPSRIP-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636716646 483836160 /nfs/dbraw/zinc/83/61/60/483836160.db2.gz QKHRNQQJJPSRIP-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000636716646 483836158 /nfs/dbraw/zinc/83/61/58/483836158.db2.gz QKHRNQQJJPSRIP-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636716647 483836403 /nfs/dbraw/zinc/83/64/03/483836403.db2.gz QKHRNQQJJPSRIP-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636716647 483836400 /nfs/dbraw/zinc/83/64/00/483836400.db2.gz QKHRNQQJJPSRIP-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000636716647 483836399 /nfs/dbraw/zinc/83/63/99/483836399.db2.gz QKHRNQQJJPSRIP-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636716648 483836550 /nfs/dbraw/zinc/83/65/50/483836550.db2.gz QKHRNQQJJPSRIP-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636716648 483836548 /nfs/dbraw/zinc/83/65/48/483836548.db2.gz QKHRNQQJJPSRIP-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000636716648 483836545 /nfs/dbraw/zinc/83/65/45/483836545.db2.gz QKHRNQQJJPSRIP-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000636716673 483836195 /nfs/dbraw/zinc/83/61/95/483836195.db2.gz QUAUWEJJLFKJCL-DLBZAZTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000636716673 483836194 /nfs/dbraw/zinc/83/61/94/483836194.db2.gz QUAUWEJJLFKJCL-DLBZAZTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000636716673 483836192 /nfs/dbraw/zinc/83/61/92/483836192.db2.gz QUAUWEJJLFKJCL-DLBZAZTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000636716674 483836667 /nfs/dbraw/zinc/83/66/67/483836667.db2.gz QUAUWEJJLFKJCL-IAGOWNOFSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000636716674 483836664 /nfs/dbraw/zinc/83/66/64/483836664.db2.gz QUAUWEJJLFKJCL-IAGOWNOFSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000636716674 483836661 /nfs/dbraw/zinc/83/66/61/483836661.db2.gz QUAUWEJJLFKJCL-IAGOWNOFSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000636716675 483836472 /nfs/dbraw/zinc/83/64/72/483836472.db2.gz QUAUWEJJLFKJCL-IRXDYDNUSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000636716675 483836470 /nfs/dbraw/zinc/83/64/70/483836470.db2.gz QUAUWEJJLFKJCL-IRXDYDNUSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000636716675 483836467 /nfs/dbraw/zinc/83/64/67/483836467.db2.gz QUAUWEJJLFKJCL-IRXDYDNUSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000636716676 483836337 /nfs/dbraw/zinc/83/63/37/483836337.db2.gz QUAUWEJJLFKJCL-SJORKVTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000636716676 483836334 /nfs/dbraw/zinc/83/63/34/483836334.db2.gz QUAUWEJJLFKJCL-SJORKVTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000636716676 483836331 /nfs/dbraw/zinc/83/63/31/483836331.db2.gz QUAUWEJJLFKJCL-SJORKVTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(NS(C)(=O)=O)C3)C2)CC1 ZINC000636790789 483848633 /nfs/dbraw/zinc/84/86/33/483848633.db2.gz BOTJUJSXYUSUJJ-GFCCVEGCSA-N 2 1 359.496 -0.902 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC(NS(C)(=O)=O)C3)C2)CC1 ZINC000636790790 483848821 /nfs/dbraw/zinc/84/88/21/483848821.db2.gz BOTJUJSXYUSUJJ-LBPRGKRZSA-N 2 1 359.496 -0.902 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000636846499 483854627 /nfs/dbraw/zinc/85/46/27/483854627.db2.gz QUWDEPITCZGWJZ-GOSISDBHSA-N 2 1 372.510 -0.130 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000636846503 483854577 /nfs/dbraw/zinc/85/45/77/483854577.db2.gz QUWDEPITCZGWJZ-SFHVURJKSA-N 2 1 372.510 -0.130 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636878377 483856972 /nfs/dbraw/zinc/85/69/72/483856972.db2.gz SFKOREDLTVMEHW-BPUTZDHNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000636878377 483856970 /nfs/dbraw/zinc/85/69/70/483856970.db2.gz SFKOREDLTVMEHW-BPUTZDHNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000636878377 483856969 /nfs/dbraw/zinc/85/69/69/483856969.db2.gz SFKOREDLTVMEHW-BPUTZDHNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000636878377 483856967 /nfs/dbraw/zinc/85/69/67/483856967.db2.gz SFKOREDLTVMEHW-BPUTZDHNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000636878378 483856984 /nfs/dbraw/zinc/85/69/84/483856984.db2.gz SFKOREDLTVMEHW-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000636878378 483856983 /nfs/dbraw/zinc/85/69/83/483856983.db2.gz SFKOREDLTVMEHW-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000636878378 483856981 /nfs/dbraw/zinc/85/69/81/483856981.db2.gz SFKOREDLTVMEHW-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000636878378 483856980 /nfs/dbraw/zinc/85/69/80/483856980.db2.gz SFKOREDLTVMEHW-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636878379 483856805 /nfs/dbraw/zinc/85/68/05/483856805.db2.gz SFKOREDLTVMEHW-IMJJTQAJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000636878379 483856803 /nfs/dbraw/zinc/85/68/03/483856803.db2.gz SFKOREDLTVMEHW-IMJJTQAJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000636878379 483856801 /nfs/dbraw/zinc/85/68/01/483856801.db2.gz SFKOREDLTVMEHW-IMJJTQAJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000636878379 483856800 /nfs/dbraw/zinc/85/68/00/483856800.db2.gz SFKOREDLTVMEHW-IMJJTQAJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000636878380 483857088 /nfs/dbraw/zinc/85/70/88/483857088.db2.gz SFKOREDLTVMEHW-NUEKZKHPSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000636878380 483857087 /nfs/dbraw/zinc/85/70/87/483857087.db2.gz SFKOREDLTVMEHW-NUEKZKHPSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000636878380 483857085 /nfs/dbraw/zinc/85/70/85/483857085.db2.gz SFKOREDLTVMEHW-NUEKZKHPSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000636878380 483857083 /nfs/dbraw/zinc/85/70/83/483857083.db2.gz SFKOREDLTVMEHW-NUEKZKHPSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)ccn1 ZINC000636990082 483867182 /nfs/dbraw/zinc/86/71/82/483867182.db2.gz CWBRVCHDVOQJJC-HNNXBMFYSA-N 2 1 351.451 -0.112 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000636990083 483866987 /nfs/dbraw/zinc/86/69/87/483866987.db2.gz CWBRVCHDVOQJJC-OAHLLOKOSA-N 2 1 351.451 -0.112 20 0 FBADMP CCOC1CC(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)(N2CCOCC2)C1 ZINC000637091808 483873492 /nfs/dbraw/zinc/87/34/92/483873492.db2.gz CMPTYKLTCAOSII-HJOIGYKYSA-N 2 1 370.494 -0.378 20 0 FBADMP CCOC1CC(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)(N2CCOCC2)C1 ZINC000637091809 483873448 /nfs/dbraw/zinc/87/34/48/483873448.db2.gz CMPTYKLTCAOSII-KLHKWILBSA-N 2 1 370.494 -0.378 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000637211951 483887306 /nfs/dbraw/zinc/88/73/06/483887306.db2.gz FHOFTJXWBKZNMX-HNNXBMFYSA-N 2 1 356.467 -0.766 20 0 FBADMP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000637211951 483887303 /nfs/dbraw/zinc/88/73/03/483887303.db2.gz FHOFTJXWBKZNMX-HNNXBMFYSA-N 2 1 356.467 -0.766 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000637211952 483887371 /nfs/dbraw/zinc/88/73/71/483887371.db2.gz FHOFTJXWBKZNMX-OAHLLOKOSA-N 2 1 356.467 -0.766 20 0 FBADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000637211952 483887369 /nfs/dbraw/zinc/88/73/69/483887369.db2.gz FHOFTJXWBKZNMX-OAHLLOKOSA-N 2 1 356.467 -0.766 20 0 FBADMP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)(N2CCOCC2)CC1 ZINC000637216902 483887564 /nfs/dbraw/zinc/88/75/64/483887564.db2.gz PZPJVYBFFKAXHD-INIZCTEOSA-N 2 1 369.510 -0.851 20 0 FBADMP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)(N2CCOCC2)CC1 ZINC000637216903 483887770 /nfs/dbraw/zinc/88/77/70/483887770.db2.gz PZPJVYBFFKAXHD-MRXNPFEDSA-N 2 1 369.510 -0.851 20 0 FBADMP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000637262766 483892943 /nfs/dbraw/zinc/89/29/43/483892943.db2.gz CPQRJBXQSIDKFC-GJZGRUSLSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000637262766 483892939 /nfs/dbraw/zinc/89/29/39/483892939.db2.gz CPQRJBXQSIDKFC-GJZGRUSLSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000637262767 483892865 /nfs/dbraw/zinc/89/28/65/483892865.db2.gz CPQRJBXQSIDKFC-LSDHHAIUSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000637262767 483892862 /nfs/dbraw/zinc/89/28/62/483892862.db2.gz CPQRJBXQSIDKFC-LSDHHAIUSA-N 2 1 372.514 -0.402 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000637263034 483892987 /nfs/dbraw/zinc/89/29/87/483892987.db2.gz CWMXCUXYDQVGMU-HNNXBMFYSA-N 2 1 364.498 -0.025 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000637263034 483892986 /nfs/dbraw/zinc/89/29/86/483892986.db2.gz CWMXCUXYDQVGMU-HNNXBMFYSA-N 2 1 364.498 -0.025 20 0 FBADMP CNC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000637263558 483893261 /nfs/dbraw/zinc/89/32/61/483893261.db2.gz ICQORJWGLAGWHL-GJZGRUSLSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000637263558 483893260 /nfs/dbraw/zinc/89/32/60/483893260.db2.gz ICQORJWGLAGWHL-GJZGRUSLSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000637263559 483893136 /nfs/dbraw/zinc/89/31/36/483893136.db2.gz ICQORJWGLAGWHL-LSDHHAIUSA-N 2 1 372.514 -0.402 20 0 FBADMP CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000637263559 483893133 /nfs/dbraw/zinc/89/31/33/483893133.db2.gz ICQORJWGLAGWHL-LSDHHAIUSA-N 2 1 372.514 -0.402 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2nnc(CO)c2C1 ZINC000637264634 483892909 /nfs/dbraw/zinc/89/29/09/483892909.db2.gz MRDDSOZRRZZXPI-ZDUSSCGKSA-N 2 1 353.471 -0.432 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2nnc(CO)c2C1 ZINC000637264634 483892908 /nfs/dbraw/zinc/89/29/08/483892908.db2.gz MRDDSOZRRZZXPI-ZDUSSCGKSA-N 2 1 353.471 -0.432 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000637283714 483894618 /nfs/dbraw/zinc/89/46/18/483894618.db2.gz AFXWRKRUZZGMOO-CVEARBPZSA-N 2 1 367.494 -0.121 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000637283719 483894579 /nfs/dbraw/zinc/89/45/79/483894579.db2.gz AFXWRKRUZZGMOO-HOTGVXAUSA-N 2 1 367.494 -0.121 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637283721 483894665 /nfs/dbraw/zinc/89/46/65/483894665.db2.gz AGXNVMITDHIECF-ARFHVFGLSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637283721 483894663 /nfs/dbraw/zinc/89/46/63/483894663.db2.gz AGXNVMITDHIECF-ARFHVFGLSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637283722 483894721 /nfs/dbraw/zinc/89/47/21/483894721.db2.gz AGXNVMITDHIECF-BZUAXINKSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637283722 483894719 /nfs/dbraw/zinc/89/47/19/483894719.db2.gz AGXNVMITDHIECF-BZUAXINKSA-N 2 1 352.479 -0.004 20 0 FBADMP CN(C(=O)NCCCN1CCC[C@H]1C(N)=O)[C@H]1CCN2CCO[C@H]1C2 ZINC000637373527 483898157 /nfs/dbraw/zinc/89/81/57/483898157.db2.gz SGWZRJJYOUKBLI-KKUMJFAQSA-N 2 1 353.467 -0.559 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)C[C@H]21 ZINC000637373870 483898682 /nfs/dbraw/zinc/89/86/82/483898682.db2.gz YQSIIWIIQCKRLY-RRFJBIMHSA-N 2 1 353.467 -0.559 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C[C@H]21 ZINC000637373870 483898679 /nfs/dbraw/zinc/89/86/79/483898679.db2.gz YQSIIWIIQCKRLY-RRFJBIMHSA-N 2 1 353.467 -0.559 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)C[C@@H]21 ZINC000637373871 483898569 /nfs/dbraw/zinc/89/85/69/483898569.db2.gz YQSIIWIIQCKRLY-SOUVJXGZSA-N 2 1 353.467 -0.559 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C[C@@H]21 ZINC000637373871 483898565 /nfs/dbraw/zinc/89/85/65/483898565.db2.gz YQSIIWIIQCKRLY-SOUVJXGZSA-N 2 1 353.467 -0.559 20 0 FBADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000637374861 483898332 /nfs/dbraw/zinc/89/83/32/483898332.db2.gz KHPIGZSHFOVMMR-ILXRZTDVSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637374861 483898330 /nfs/dbraw/zinc/89/83/30/483898330.db2.gz KHPIGZSHFOVMMR-ILXRZTDVSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@H]2C(N)=O)[C@H](C)CO1 ZINC000637374862 483898408 /nfs/dbraw/zinc/89/84/08/483898408.db2.gz KHPIGZSHFOVMMR-KFWWJZLASA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](C)CO1 ZINC000637374862 483898407 /nfs/dbraw/zinc/89/84/07/483898407.db2.gz KHPIGZSHFOVMMR-KFWWJZLASA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H]1CN(CCNC(=O)NCCCN2CCC[C@H]2C(N)=O)[C@@H](C)CO1 ZINC000637374863 483898398 /nfs/dbraw/zinc/89/83/98/483898398.db2.gz KHPIGZSHFOVMMR-KKUMJFAQSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)CO1 ZINC000637374863 483898396 /nfs/dbraw/zinc/89/83/96/483898396.db2.gz KHPIGZSHFOVMMR-KKUMJFAQSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@H]2C(N)=O)[C@@H](C)CO1 ZINC000637374864 483898168 /nfs/dbraw/zinc/89/81/68/483898168.db2.gz KHPIGZSHFOVMMR-ZNMIVQPWSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)CO1 ZINC000637374864 483898166 /nfs/dbraw/zinc/89/81/66/483898166.db2.gz KHPIGZSHFOVMMR-ZNMIVQPWSA-N 2 1 355.483 -0.265 20 0 FBADMP NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000637375248 483898148 /nfs/dbraw/zinc/89/81/48/483898148.db2.gz SNJBVYDFGYHZDC-CABCVRRESA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000637375248 483898146 /nfs/dbraw/zinc/89/81/46/483898146.db2.gz SNJBVYDFGYHZDC-CABCVRRESA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000637375251 483898286 /nfs/dbraw/zinc/89/82/86/483898286.db2.gz SNJBVYDFGYHZDC-GJZGRUSLSA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000637375251 483898284 /nfs/dbraw/zinc/89/82/84/483898284.db2.gz SNJBVYDFGYHZDC-GJZGRUSLSA-N 2 1 353.467 -0.558 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375399 483898345 /nfs/dbraw/zinc/89/83/45/483898345.db2.gz LBMWWVUSATZXLH-INIZCTEOSA-N 2 1 368.526 -0.395 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000637376575 483898533 /nfs/dbraw/zinc/89/85/33/483898533.db2.gz QNOCCSULSTXQCT-CVEARBPZSA-N 2 1 367.494 -0.168 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000637376575 483898532 /nfs/dbraw/zinc/89/85/32/483898532.db2.gz QNOCCSULSTXQCT-CVEARBPZSA-N 2 1 367.494 -0.168 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000637376577 483898795 /nfs/dbraw/zinc/89/87/95/483898795.db2.gz QNOCCSULSTXQCT-HOTGVXAUSA-N 2 1 367.494 -0.168 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000637376577 483898793 /nfs/dbraw/zinc/89/87/93/483898793.db2.gz QNOCCSULSTXQCT-HOTGVXAUSA-N 2 1 367.494 -0.168 20 0 FBADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376808 483898099 /nfs/dbraw/zinc/89/80/99/483898099.db2.gz QDDKHQVDNUBZPM-HNNXBMFYSA-N 2 1 355.483 -0.264 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637377197 483898954 /nfs/dbraw/zinc/89/89/54/483898954.db2.gz VZULWJYGQKLAET-CVEARBPZSA-N 2 1 367.494 -0.310 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000637377198 483899391 /nfs/dbraw/zinc/89/93/91/483899391.db2.gz VZULWJYGQKLAET-HOTGVXAUSA-N 2 1 367.494 -0.310 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000637377216 483899066 /nfs/dbraw/zinc/89/90/66/483899066.db2.gz XBUXCJCLHIXIRZ-INIZCTEOSA-N 2 1 367.494 -0.168 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000637532676 483925859 /nfs/dbraw/zinc/92/58/59/483925859.db2.gz XZNXJHNMLAQXPD-KRWDZBQOSA-N 2 1 365.478 -0.104 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000637532680 483926608 /nfs/dbraw/zinc/92/66/08/483926608.db2.gz XZNXJHNMLAQXPD-QGZVFWFLSA-N 2 1 365.478 -0.104 20 0 FBADMP [NH3+]C1(CC(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637814343 483678666 /nfs/dbraw/zinc/67/86/66/483678666.db2.gz YVKCZGOUONCCNO-UHFFFAOYSA-N 3 1 373.501 -0.082 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638062324 483688718 /nfs/dbraw/zinc/68/87/18/483688718.db2.gz FEPBDKAWOQBMNC-UHFFFAOYSA-N 2 1 359.474 -0.404 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638069168 483688945 /nfs/dbraw/zinc/68/89/45/483688945.db2.gz NEPAQVAYEHWQNR-KRWDZBQOSA-N 2 1 361.490 -0.228 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638069168 483688942 /nfs/dbraw/zinc/68/89/42/483688942.db2.gz NEPAQVAYEHWQNR-KRWDZBQOSA-N 2 1 361.490 -0.228 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638069173 483689110 /nfs/dbraw/zinc/68/91/10/483689110.db2.gz NEPAQVAYEHWQNR-QGZVFWFLSA-N 2 1 361.490 -0.228 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638069173 483689107 /nfs/dbraw/zinc/68/91/07/483689107.db2.gz NEPAQVAYEHWQNR-QGZVFWFLSA-N 2 1 361.490 -0.228 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638079273 483689710 /nfs/dbraw/zinc/68/97/10/483689710.db2.gz RQFHQLTXAYVHTA-UHFFFAOYSA-N 2 1 359.474 -0.153 20 0 FBADMP C[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638094609 483691468 /nfs/dbraw/zinc/69/14/68/483691468.db2.gz KPDYASJGHBQQRY-IBGZPJMESA-N 2 1 360.458 -0.175 20 0 FBADMP C[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638094611 483691714 /nfs/dbraw/zinc/69/17/14/483691714.db2.gz KPDYASJGHBQQRY-LJQANCHMSA-N 2 1 360.458 -0.175 20 0 FBADMP O=C(CN1CC[NH2+]CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000638095001 483691506 /nfs/dbraw/zinc/69/15/06/483691506.db2.gz OBUBJEOSTOYELC-UHFFFAOYSA-N 2 1 359.474 -0.648 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)C1 ZINC000638100797 483692344 /nfs/dbraw/zinc/69/23/44/483692344.db2.gz AIKNUGFVPZNGNA-GOSISDBHSA-N 2 1 373.501 -0.095 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)C1 ZINC000638100798 483692493 /nfs/dbraw/zinc/69/24/93/483692493.db2.gz AIKNUGFVPZNGNA-SFHVURJKSA-N 2 1 373.501 -0.095 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)CC1 ZINC000638104283 483692389 /nfs/dbraw/zinc/69/23/89/483692389.db2.gz FZNPRFXCHILXNY-DOTOQJQBSA-N 2 1 352.479 -0.105 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CC[NH2+]CC3)CC2)CC1 ZINC000638104753 483692294 /nfs/dbraw/zinc/69/22/94/483692294.db2.gz MFLCMQUBMRFVHE-UHFFFAOYSA-N 2 1 351.495 -0.706 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)CC1 ZINC000638104827 483692476 /nfs/dbraw/zinc/69/24/76/483692476.db2.gz NILRJQORYWXRQF-GOSISDBHSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)CC2)CC1 ZINC000638104828 483692165 /nfs/dbraw/zinc/69/21/65/483692165.db2.gz NILRJQORYWXRQF-SFHVURJKSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CC[NH2+]CC3)CC2)CC1 ZINC000638105524 483691916 /nfs/dbraw/zinc/69/19/16/483691916.db2.gz UCAMHRLNCMDHQY-UHFFFAOYSA-N 2 1 365.522 -0.316 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638133892 483700611 /nfs/dbraw/zinc/70/06/11/483700611.db2.gz YNNKCBMXKSOMMB-UHFFFAOYSA-N 2 1 359.474 -0.153 20 0 FBADMP [NH3+]C[C@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCOC1 ZINC000638136682 483703324 /nfs/dbraw/zinc/70/33/24/483703324.db2.gz KWWNPTQWDCXUNY-GOSISDBHSA-N 2 1 362.478 -0.140 20 0 FBADMP [NH3+]C[C@@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCOC1 ZINC000638136683 483703427 /nfs/dbraw/zinc/70/34/27/483703427.db2.gz KWWNPTQWDCXUNY-SFHVURJKSA-N 2 1 362.478 -0.140 20 0 FBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638136826 483703205 /nfs/dbraw/zinc/70/32/05/483703205.db2.gz NEWMYRUUNGLCAX-CRAIPNDOSA-N 2 1 362.478 -0.128 20 0 FBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638136829 483703434 /nfs/dbraw/zinc/70/34/34/483703434.db2.gz NEWMYRUUNGLCAX-MAUKXSAKSA-N 2 1 362.478 -0.128 20 0 FBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638136830 483703476 /nfs/dbraw/zinc/70/34/76/483703476.db2.gz NEWMYRUUNGLCAX-QAPCUYQASA-N 2 1 362.478 -0.128 20 0 FBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638136832 483703499 /nfs/dbraw/zinc/70/34/99/483703499.db2.gz NEWMYRUUNGLCAX-YJBOKZPZSA-N 2 1 362.478 -0.128 20 0 FBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638172832 483717724 /nfs/dbraw/zinc/71/77/24/483717724.db2.gz ARLWGNABDROIPN-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638172832 483717723 /nfs/dbraw/zinc/71/77/23/483717723.db2.gz ARLWGNABDROIPN-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638172838 483717328 /nfs/dbraw/zinc/71/73/28/483717328.db2.gz ARLWGNABDROIPN-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638172838 483717326 /nfs/dbraw/zinc/71/73/26/483717326.db2.gz ARLWGNABDROIPN-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000638172850 483717695 /nfs/dbraw/zinc/71/76/95/483717695.db2.gz AUAJPFCXRVPQOB-DOTOQJQBSA-N 2 1 360.458 -0.012 20 0 FBADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000638172852 483717737 /nfs/dbraw/zinc/71/77/37/483717737.db2.gz AUAJPFCXRVPQOB-NVXWUHKLSA-N 2 1 360.458 -0.012 20 0 FBADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000638172854 483717900 /nfs/dbraw/zinc/71/79/00/483717900.db2.gz AUAJPFCXRVPQOB-RDJZCZTQSA-N 2 1 360.458 -0.012 20 0 FBADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000638172856 483717557 /nfs/dbraw/zinc/71/75/57/483717557.db2.gz AUAJPFCXRVPQOB-WBVHZDCISA-N 2 1 360.458 -0.012 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174883 483717515 /nfs/dbraw/zinc/71/75/15/483717515.db2.gz SZTRVGPODBAXKE-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638223220 483734714 /nfs/dbraw/zinc/73/47/14/483734714.db2.gz SYNVATVGYNEYSD-HNNXBMFYSA-N 2 1 353.467 -0.122 20 0 FBADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638223220 483734711 /nfs/dbraw/zinc/73/47/11/483734711.db2.gz SYNVATVGYNEYSD-HNNXBMFYSA-N 2 1 353.467 -0.122 20 0 FBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638223221 483734477 /nfs/dbraw/zinc/73/44/77/483734477.db2.gz SYNVATVGYNEYSD-OAHLLOKOSA-N 2 1 353.467 -0.122 20 0 FBADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638223221 483734475 /nfs/dbraw/zinc/73/44/75/483734475.db2.gz SYNVATVGYNEYSD-OAHLLOKOSA-N 2 1 353.467 -0.122 20 0 FBADMP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638277630 483747268 /nfs/dbraw/zinc/74/72/68/483747268.db2.gz NAOKAEPWSCFAQT-INIZCTEOSA-N 2 1 363.506 -0.269 20 0 FBADMP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638277631 483747218 /nfs/dbraw/zinc/74/72/18/483747218.db2.gz NAOKAEPWSCFAQT-MRXNPFEDSA-N 2 1 363.506 -0.269 20 0 FBADMP CC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638277638 483747028 /nfs/dbraw/zinc/74/70/28/483747028.db2.gz NGWGHPGEDDKLMV-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638277639 483746937 /nfs/dbraw/zinc/74/69/37/483746937.db2.gz NGWGHPGEDDKLMV-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C(=O)CCC1C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638279105 483748410 /nfs/dbraw/zinc/74/84/10/483748410.db2.gz YCFRWFIPRCWQEM-UHFFFAOYSA-N 2 1 365.522 -0.317 20 0 FBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C12CCC[NH+](CCC1)C2 ZINC000638349481 483778289 /nfs/dbraw/zinc/77/82/89/483778289.db2.gz NILZLRGUFICUFM-UHFFFAOYSA-N 2 1 356.492 -0.692 20 0 FBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000638366646 483783595 /nfs/dbraw/zinc/78/35/95/483783595.db2.gz QFKFGAKGJBUBMC-JKSUJKDBSA-N 2 1 353.467 -0.342 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638414369 483795944 /nfs/dbraw/zinc/79/59/44/483795944.db2.gz OQQOZTWPSAURAS-KRWDZBQOSA-N 2 1 363.506 -0.076 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638414370 483795971 /nfs/dbraw/zinc/79/59/71/483795971.db2.gz OQQOZTWPSAURAS-QGZVFWFLSA-N 2 1 363.506 -0.076 20 0 FBADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428234 483798914 /nfs/dbraw/zinc/79/89/14/483798914.db2.gz UNRRMNQLKNJCDE-GDBMZVCRSA-N 3 1 351.495 -0.566 20 0 FBADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428235 483799036 /nfs/dbraw/zinc/79/90/36/483799036.db2.gz UNRRMNQLKNJCDE-GOEBONIOSA-N 3 1 351.495 -0.566 20 0 FBADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428236 483798757 /nfs/dbraw/zinc/79/87/57/483798757.db2.gz UNRRMNQLKNJCDE-HOCLYGCPSA-N 3 1 351.495 -0.566 20 0 FBADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428237 483799133 /nfs/dbraw/zinc/79/91/33/483799133.db2.gz UNRRMNQLKNJCDE-ZBFHGGJFSA-N 3 1 351.495 -0.566 20 0 FBADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476740 483805885 /nfs/dbraw/zinc/80/58/85/483805885.db2.gz HWJUDTBFJXBWGH-INIZCTEOSA-N 2 1 361.446 -0.136 20 0 FBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476741 483805703 /nfs/dbraw/zinc/80/57/03/483805703.db2.gz HWJUDTBFJXBWGH-MRXNPFEDSA-N 2 1 361.446 -0.136 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539958 483820591 /nfs/dbraw/zinc/82/05/91/483820591.db2.gz WORLJXMXBHYAHI-CABCVRRESA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539964 483820545 /nfs/dbraw/zinc/82/05/45/483820545.db2.gz WORLJXMXBHYAHI-GJZGRUSLSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539965 483820579 /nfs/dbraw/zinc/82/05/79/483820579.db2.gz WORLJXMXBHYAHI-HUUCEWRRSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539967 483820258 /nfs/dbraw/zinc/82/02/58/483820258.db2.gz WORLJXMXBHYAHI-LSDHHAIUSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000638540709 483820504 /nfs/dbraw/zinc/82/05/04/483820504.db2.gz VEANZRFULVMQQT-HNNXBMFYSA-N 2 1 368.478 -0.676 20 0 FBADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCOCC1 ZINC000638540710 483820492 /nfs/dbraw/zinc/82/04/92/483820492.db2.gz VEANZRFULVMQQT-OAHLLOKOSA-N 2 1 368.478 -0.676 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638548776 483821716 /nfs/dbraw/zinc/82/17/16/483821716.db2.gz FSXQOUGSZSNUDG-UHFFFAOYSA-N 2 1 360.524 -0.009 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638574818 483824646 /nfs/dbraw/zinc/82/46/46/483824646.db2.gz UXDXCTOSHACMLH-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638574819 483824673 /nfs/dbraw/zinc/82/46/73/483824673.db2.gz UXDXCTOSHACMLH-XHSDSOJGSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH2+]CCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638577172 483824981 /nfs/dbraw/zinc/82/49/81/483824981.db2.gz MZICAFRYKKELEJ-HNNXBMFYSA-N 2 1 356.467 -0.948 20 0 FBADMP C[NH2+]CCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638577173 483825107 /nfs/dbraw/zinc/82/51/07/483825107.db2.gz MZICAFRYKKELEJ-OAHLLOKOSA-N 2 1 356.467 -0.948 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638593203 483826542 /nfs/dbraw/zinc/82/65/42/483826542.db2.gz LPPHNRKPFDHFFI-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638593204 483826474 /nfs/dbraw/zinc/82/64/74/483826474.db2.gz LPPHNRKPFDHFFI-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP [NH3+]CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000638632545 483831492 /nfs/dbraw/zinc/83/14/92/483831492.db2.gz WQPLSUYMGVTTMJ-HNNXBMFYSA-N 2 1 368.478 -0.676 20 0 FBADMP [NH3+]CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCOCC1 ZINC000638632546 483831618 /nfs/dbraw/zinc/83/16/18/483831618.db2.gz WQPLSUYMGVTTMJ-OAHLLOKOSA-N 2 1 368.478 -0.676 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634015 483832299 /nfs/dbraw/zinc/83/22/99/483832299.db2.gz LJMNFWYCOYTALT-CABCVRRESA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634021 483832360 /nfs/dbraw/zinc/83/23/60/483832360.db2.gz LJMNFWYCOYTALT-GJZGRUSLSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634022 483832010 /nfs/dbraw/zinc/83/20/10/483832010.db2.gz LJMNFWYCOYTALT-HUUCEWRRSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634023 483832077 /nfs/dbraw/zinc/83/20/77/483832077.db2.gz LJMNFWYCOYTALT-LSDHHAIUSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[NH2+]1 ZINC000638643287 483838903 /nfs/dbraw/zinc/83/89/03/483838903.db2.gz JIHFJXUULGGODI-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC000638643289 483838867 /nfs/dbraw/zinc/83/88/67/483838867.db2.gz JIHFJXUULGGODI-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[NH2+]1 ZINC000638643291 483838958 /nfs/dbraw/zinc/83/89/58/483838958.db2.gz JIHFJXUULGGODI-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC000638643293 483838938 /nfs/dbraw/zinc/83/89/38/483838938.db2.gz JIHFJXUULGGODI-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP [NH3+]CCCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638661631 661795393 /nfs/dbraw/zinc/79/53/93/661795393.db2.gz BTNONQCSXWKWPX-HNNXBMFYSA-N 2 1 356.467 -0.819 20 0 FBADMP [NH3+]CCCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638661632 661795334 /nfs/dbraw/zinc/79/53/34/661795334.db2.gz BTNONQCSXWKWPX-OAHLLOKOSA-N 2 1 356.467 -0.819 20 0 FBADMP CN(CCOCC[NH3+])C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638673567 483856286 /nfs/dbraw/zinc/85/62/86/483856286.db2.gz VUZRKVKUOKWOFG-HNNXBMFYSA-N 2 1 356.467 -0.867 20 0 FBADMP CN(CCOCC[NH3+])C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638673568 483856207 /nfs/dbraw/zinc/85/62/07/483856207.db2.gz VUZRKVKUOKWOFG-OAHLLOKOSA-N 2 1 356.467 -0.867 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730600 483872367 /nfs/dbraw/zinc/87/23/67/483872367.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730600 483872365 /nfs/dbraw/zinc/87/23/65/483872365.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@]1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730600 483872362 /nfs/dbraw/zinc/87/23/62/483872362.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730601 483872402 /nfs/dbraw/zinc/87/24/02/483872402.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730601 483872399 /nfs/dbraw/zinc/87/23/99/483872399.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730601 483872396 /nfs/dbraw/zinc/87/23/96/483872396.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638942149 483891256 /nfs/dbraw/zinc/89/12/56/483891256.db2.gz ZMTHSIONKXOAIF-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638942150 483891523 /nfs/dbraw/zinc/89/15/23/483891523.db2.gz ZMTHSIONKXOAIF-XHSDSOJGSA-N 2 1 350.463 -0.338 20 0 FBADMP CN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000638984822 483960747 /nfs/dbraw/zinc/96/07/47/483960747.db2.gz SREBOQNURLZIMT-AWEZNQCLSA-N 2 1 367.475 -0.451 20 0 FBADMP CN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000638984823 483959788 /nfs/dbraw/zinc/95/97/88/483959788.db2.gz SREBOQNURLZIMT-CQSZACIVSA-N 2 1 367.475 -0.451 20 0 FBADMP Cc1nnc(CN(C)CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1C ZINC000638986441 483969019 /nfs/dbraw/zinc/96/90/19/483969019.db2.gz ONVWWHWFDJKCFU-UHFFFAOYSA-N 2 1 358.450 -0.001 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC1=O ZINC000638986578 483968942 /nfs/dbraw/zinc/96/89/42/483968942.db2.gz UMJSFRTWUSZDQX-AWEZNQCLSA-N 2 1 360.462 -0.160 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC1=O ZINC000638986579 483969469 /nfs/dbraw/zinc/96/94/69/483969469.db2.gz UMJSFRTWUSZDQX-CQSZACIVSA-N 2 1 360.462 -0.160 20 0 FBADMP O=C(CN1CCS(=O)(=O)CC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986596 483969487 /nfs/dbraw/zinc/96/94/87/483969487.db2.gz VBSGBPXSRFQHDJ-UHFFFAOYSA-N 2 1 353.448 -0.840 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)cn2)CC1 ZINC000639367363 484170030 /nfs/dbraw/zinc/17/00/30/484170030.db2.gz JCNVBBXJHZGMNO-HDICACEKSA-N 2 1 358.446 -0.287 20 0 FBADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)cn2)CC1 ZINC000639367363 484170025 /nfs/dbraw/zinc/17/00/25/484170025.db2.gz JCNVBBXJHZGMNO-HDICACEKSA-N 2 1 358.446 -0.287 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH+]3C[C@]4(C)C(=O)NC(=O)[C@@]4(C)C3)cn2)CC1 ZINC000639367364 484169859 /nfs/dbraw/zinc/16/98/59/484169859.db2.gz JCNVBBXJHZGMNO-QZTJIDSGSA-N 2 1 358.446 -0.287 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH+]3C[C@@]4(C)C(=O)NC(=O)[C@]4(C)C3)cn2)CC1 ZINC000639367365 484169811 /nfs/dbraw/zinc/16/98/11/484169811.db2.gz JCNVBBXJHZGMNO-ROUUACIJSA-N 2 1 358.446 -0.287 20 0 FBADMP OC[C@@H]1C[C@H](O)C[NH+]1CC(C[N@@H+]1C[C@@H](O)C[C@H]1CO)c1ccccc1 ZINC000639555625 484500607 /nfs/dbraw/zinc/50/06/07/484500607.db2.gz QGTQYKQWOBDIEY-VJANTYMQSA-N 2 1 350.459 -0.375 20 0 FBADMP OC[C@@H]1C[C@H](O)C[NH+]1CC(C[N@H+]1C[C@@H](O)C[C@H]1CO)c1ccccc1 ZINC000639555625 484500603 /nfs/dbraw/zinc/50/06/03/484500603.db2.gz QGTQYKQWOBDIEY-VJANTYMQSA-N 2 1 350.459 -0.375 20 0 FBADMP OC[C@@H]1C[C@@H](O)C[NH+]1CC(C[N@@H+]1C[C@H](O)C[C@H]1CO)c1ccccc1 ZINC000639589502 484512401 /nfs/dbraw/zinc/51/24/01/484512401.db2.gz QGTQYKQWOBDIEY-INDMIFKZSA-N 2 1 350.459 -0.375 20 0 FBADMP OC[C@@H]1C[C@@H](O)C[NH+]1CC(C[N@H+]1C[C@H](O)C[C@H]1CO)c1ccccc1 ZINC000639589502 484512397 /nfs/dbraw/zinc/51/23/97/484512397.db2.gz QGTQYKQWOBDIEY-INDMIFKZSA-N 2 1 350.459 -0.375 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC4(C3)CC[NH+](C)CC4)c2c(=O)n(C)c1=O ZINC000639757105 484533700 /nfs/dbraw/zinc/53/37/00/484533700.db2.gz FLTSSDVSIOLHKF-UHFFFAOYSA-N 2 1 360.462 -0.149 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757241 484534562 /nfs/dbraw/zinc/53/45/62/484534562.db2.gz JOHIZKVMQOTTRW-GFCCVEGCSA-N 2 1 363.462 -0.345 20 0 FBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757241 484534558 /nfs/dbraw/zinc/53/45/58/484534558.db2.gz JOHIZKVMQOTTRW-GFCCVEGCSA-N 2 1 363.462 -0.345 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757247 484534183 /nfs/dbraw/zinc/53/41/83/484534183.db2.gz JOHIZKVMQOTTRW-LBPRGKRZSA-N 2 1 363.462 -0.345 20 0 FBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757247 484534176 /nfs/dbraw/zinc/53/41/76/484534176.db2.gz JOHIZKVMQOTTRW-LBPRGKRZSA-N 2 1 363.462 -0.345 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639757272 484534619 /nfs/dbraw/zinc/53/46/19/484534619.db2.gz DPXRLSKTOSUVLR-UHFFFAOYSA-N 2 1 365.522 -0.364 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765589 484547942 /nfs/dbraw/zinc/54/79/42/484547942.db2.gz KLNAFBSCBQOLTQ-HKUYNNGSSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765591 484547885 /nfs/dbraw/zinc/54/78/85/484547885.db2.gz KLNAFBSCBQOLTQ-IEBWSBKVSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765592 484547282 /nfs/dbraw/zinc/54/72/82/484547282.db2.gz KLNAFBSCBQOLTQ-MJGOQNOKSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765593 484547577 /nfs/dbraw/zinc/54/75/77/484547577.db2.gz KLNAFBSCBQOLTQ-PKOBYXMFSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639955082 484578580 /nfs/dbraw/zinc/57/85/80/484578580.db2.gz XMKDDMKLQULJCK-HDICACEKSA-N 2 1 350.463 -0.040 20 0 FBADMP Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000639972042 484585459 /nfs/dbraw/zinc/58/54/59/484585459.db2.gz AYLWMYFFJYOCEO-INIZCTEOSA-N 2 1 362.478 -0.222 20 0 FBADMP Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000639972042 484585451 /nfs/dbraw/zinc/58/54/51/484585451.db2.gz AYLWMYFFJYOCEO-INIZCTEOSA-N 2 1 362.478 -0.222 20 0 FBADMP Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000639972043 484585684 /nfs/dbraw/zinc/58/56/84/484585684.db2.gz AYLWMYFFJYOCEO-MRXNPFEDSA-N 2 1 362.478 -0.222 20 0 FBADMP Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000639972043 484585680 /nfs/dbraw/zinc/58/56/80/484585680.db2.gz AYLWMYFFJYOCEO-MRXNPFEDSA-N 2 1 362.478 -0.222 20 0 FBADMP CO[C@H]1C[N@H+](CC2(CN3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999235 484585201 /nfs/dbraw/zinc/58/52/01/484585201.db2.gz JFJJNVHFFAHMEP-FZDBZEDMSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CC2(CN3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999235 484585198 /nfs/dbraw/zinc/58/51/98/484585198.db2.gz JFJJNVHFFAHMEP-FZDBZEDMSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1CN(CC2(C[N@H+]3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999235 484585194 /nfs/dbraw/zinc/58/51/94/484585194.db2.gz JFJJNVHFFAHMEP-FZDBZEDMSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@H+](CC2(CN3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999237 484586446 /nfs/dbraw/zinc/58/64/46/484586446.db2.gz JFJJNVHFFAHMEP-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CC2(CN3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999237 484586444 /nfs/dbraw/zinc/58/64/44/484586444.db2.gz JFJJNVHFFAHMEP-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1CN(CC2(C[N@H+]3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@](C)(CO)C1 ZINC000639999237 484586439 /nfs/dbraw/zinc/58/64/39/484586439.db2.gz JFJJNVHFFAHMEP-MHORFTMASA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@H+](CC2(CN3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999240 484586225 /nfs/dbraw/zinc/58/62/25/484586225.db2.gz JFJJNVHFFAHMEP-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CC2(CN3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999240 484586219 /nfs/dbraw/zinc/58/62/19/484586219.db2.gz JFJJNVHFFAHMEP-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1CN(CC2(C[N@H+]3C[C@@H](OC)C[C@@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999240 484586213 /nfs/dbraw/zinc/58/62/13/484586213.db2.gz JFJJNVHFFAHMEP-USTZCAOPSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@H+](CC2(CN3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999242 484585240 /nfs/dbraw/zinc/58/52/40/484585240.db2.gz JFJJNVHFFAHMEP-XMTFNYHQSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CC2(CN3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999242 484585237 /nfs/dbraw/zinc/58/52/37/484585237.db2.gz JFJJNVHFFAHMEP-XMTFNYHQSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1CN(CC2(C[N@H+]3C[C@@H](OC)C[C@]3(C)CO)COC2)[C@@](C)(CO)C1 ZINC000639999242 484585235 /nfs/dbraw/zinc/58/52/35/484585235.db2.gz JFJJNVHFFAHMEP-XMTFNYHQSA-N 2 1 372.506 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@](C)(CO)C1 ZINC000639999447 484585655 /nfs/dbraw/zinc/58/56/55/484585655.db2.gz JQBORKPDRZFXDG-FZDBZEDMSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@](C)(CO)C1 ZINC000639999447 484585646 /nfs/dbraw/zinc/58/56/46/484585646.db2.gz JQBORKPDRZFXDG-FZDBZEDMSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@](C)(CO)C1 ZINC000639999447 484585639 /nfs/dbraw/zinc/58/56/39/484585639.db2.gz JQBORKPDRZFXDG-FZDBZEDMSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999448 484586586 /nfs/dbraw/zinc/58/65/86/484586586.db2.gz JQBORKPDRZFXDG-MHORFTMASA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999448 484586582 /nfs/dbraw/zinc/58/65/82/484586582.db2.gz JQBORKPDRZFXDG-MHORFTMASA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999448 484586578 /nfs/dbraw/zinc/58/65/78/484586578.db2.gz JQBORKPDRZFXDG-MHORFTMASA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999449 484586109 /nfs/dbraw/zinc/58/61/09/484586109.db2.gz JQBORKPDRZFXDG-USTZCAOPSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999449 484586105 /nfs/dbraw/zinc/58/61/05/484586105.db2.gz JQBORKPDRZFXDG-USTZCAOPSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999449 484586101 /nfs/dbraw/zinc/58/61/01/484586101.db2.gz JQBORKPDRZFXDG-USTZCAOPSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999450 484587751 /nfs/dbraw/zinc/58/77/51/484587751.db2.gz JQBORKPDRZFXDG-XMTFNYHQSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999450 484587745 /nfs/dbraw/zinc/58/77/45/484587745.db2.gz JQBORKPDRZFXDG-XMTFNYHQSA-N 2 1 360.495 -0.054 20 0 FBADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999450 484587742 /nfs/dbraw/zinc/58/77/42/484587742.db2.gz JQBORKPDRZFXDG-XMTFNYHQSA-N 2 1 360.495 -0.054 20 0 FBADMP C[NH+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000640050046 484600630 /nfs/dbraw/zinc/60/06/30/484600630.db2.gz VMGBRODOTPOVAR-CADBVGFASA-N 2 1 352.523 -0.345 20 0 FBADMP C[NH+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000640050046 484600625 /nfs/dbraw/zinc/60/06/25/484600625.db2.gz VMGBRODOTPOVAR-CADBVGFASA-N 2 1 352.523 -0.345 20 0 FBADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000640050046 484600622 /nfs/dbraw/zinc/60/06/22/484600622.db2.gz VMGBRODOTPOVAR-CADBVGFASA-N 2 1 352.523 -0.345 20 0 FBADMP C[NH+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000640050047 484600102 /nfs/dbraw/zinc/60/01/02/484600102.db2.gz VMGBRODOTPOVAR-INDMIFKZSA-N 2 1 352.523 -0.345 20 0 FBADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000640050048 484601100 /nfs/dbraw/zinc/60/11/00/484601100.db2.gz VMGBRODOTPOVAR-VJANTYMQSA-N 2 1 352.523 -0.345 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000640057873 484602800 /nfs/dbraw/zinc/60/28/00/484602800.db2.gz GXYHSHUXGLSNHZ-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059586 484602835 /nfs/dbraw/zinc/60/28/35/484602835.db2.gz RCFIUWNOVDLHQX-UHFFFAOYSA-N 2 1 351.495 -0.565 20 0 FBADMP CNC(=O)c1ccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000640323424 484189419 /nfs/dbraw/zinc/18/94/19/484189419.db2.gz FOYLYQSKKOSDSD-UHFFFAOYSA-N 2 1 363.466 0.326 20 0 FBADMP CNC(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nn1 ZINC000640323424 484189412 /nfs/dbraw/zinc/18/94/12/484189412.db2.gz FOYLYQSKKOSDSD-UHFFFAOYSA-N 2 1 363.466 0.326 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640335461 484100137 /nfs/dbraw/zinc/10/01/37/484100137.db2.gz DGHLUZLZCWTFKK-LBPRGKRZSA-N 2 1 354.455 -0.523 20 0 FBADMP C[C@H]1CN(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C[C@H](C)O1 ZINC000640778882 484615227 /nfs/dbraw/zinc/61/52/27/484615227.db2.gz SETHQJRDVVBELX-KBPBESRZSA-N 2 1 350.467 -0.121 20 0 FBADMP C[C@@H]1CN(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C[C@H](C)O1 ZINC000640778883 484615986 /nfs/dbraw/zinc/61/59/86/484615986.db2.gz SETHQJRDVVBELX-OKILXGFUSA-N 2 1 350.467 -0.121 20 0 FBADMP C[C@@H]1CN(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C[C@@H](C)O1 ZINC000640778884 484616008 /nfs/dbraw/zinc/61/60/08/484616008.db2.gz SETHQJRDVVBELX-ZIAGYGMSSA-N 2 1 350.467 -0.121 20 0 FBADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(CC(=O)N3CC[NH+](C)CC3)nn2)c1 ZINC000640837082 484653487 /nfs/dbraw/zinc/65/34/87/484653487.db2.gz IOUQRNYFZIRCTA-UHFFFAOYSA-N 2 1 371.445 -0.123 20 0 FBADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)CC1 ZINC000640869610 484666834 /nfs/dbraw/zinc/66/68/34/484666834.db2.gz PHWGWFIIYOVJNR-INIZCTEOSA-N 2 1 350.467 -0.165 20 0 FBADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)CC1 ZINC000640869610 484666828 /nfs/dbraw/zinc/66/68/28/484666828.db2.gz PHWGWFIIYOVJNR-INIZCTEOSA-N 2 1 350.467 -0.165 20 0 FBADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)CC1 ZINC000640869623 484666996 /nfs/dbraw/zinc/66/69/96/484666996.db2.gz PHWGWFIIYOVJNR-MRXNPFEDSA-N 2 1 350.467 -0.165 20 0 FBADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)CC1 ZINC000640869623 484666990 /nfs/dbraw/zinc/66/69/90/484666990.db2.gz PHWGWFIIYOVJNR-MRXNPFEDSA-N 2 1 350.467 -0.165 20 0 FBADMP [NH3+]CCc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640869694 484666936 /nfs/dbraw/zinc/66/69/36/484666936.db2.gz PZHBPQMUUHOUGX-UHFFFAOYSA-N 2 1 350.467 -0.069 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)C1 ZINC000640876815 484670570 /nfs/dbraw/zinc/67/05/70/484670570.db2.gz QRFXYYUMOMXXGJ-DOTOQJQBSA-N 2 1 364.494 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)C1 ZINC000640876816 484670581 /nfs/dbraw/zinc/67/05/81/484670581.db2.gz QRFXYYUMOMXXGJ-NVXWUHKLSA-N 2 1 364.494 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)C1 ZINC000640876817 484670498 /nfs/dbraw/zinc/67/04/98/484670498.db2.gz QRFXYYUMOMXXGJ-RDJZCZTQSA-N 2 1 364.494 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)C1 ZINC000640876818 484671595 /nfs/dbraw/zinc/67/15/95/484671595.db2.gz QRFXYYUMOMXXGJ-WBVHZDCISA-N 2 1 364.494 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(CC[NH+](C)C)nn2)C1 ZINC000640878096 484670776 /nfs/dbraw/zinc/67/07/76/484670776.db2.gz ODTGEBOZXARLIS-INIZCTEOSA-N 2 1 352.483 -0.145 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(CC[NH+](C)C)nn2)C1 ZINC000640878097 484670948 /nfs/dbraw/zinc/67/09/48/484670948.db2.gz ODTGEBOZXARLIS-MRXNPFEDSA-N 2 1 352.483 -0.145 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(CCn3nc4ccccn4c3=O)nn2)CC1 ZINC000640951066 484710094 /nfs/dbraw/zinc/71/00/94/484710094.db2.gz DAWXDILOHDHLTH-UHFFFAOYSA-N 2 1 356.434 -0.247 20 0 FBADMP COc1c(C)c[nH+]c(Cn2cc(CNC(=O)CN3CC[NH2+]CC3)nn2)c1C ZINC000640954959 484710258 /nfs/dbraw/zinc/71/02/58/484710258.db2.gz VHHASDONZJNBJK-UHFFFAOYSA-N 2 1 373.461 -0.132 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)N3CCOC[C@H]3C3CC3)nn2)CC1 ZINC000641156788 484788978 /nfs/dbraw/zinc/78/89/78/484788978.db2.gz WNWXXVVKVTWCPD-KRWDZBQOSA-N 2 1 362.478 -0.119 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)N3CCOC[C@@H]3C3CC3)nn2)CC1 ZINC000641156789 484789164 /nfs/dbraw/zinc/78/91/64/484789164.db2.gz WNWXXVVKVTWCPD-QGZVFWFLSA-N 2 1 362.478 -0.119 20 0 FBADMP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641666650 484979626 /nfs/dbraw/zinc/97/96/26/484979626.db2.gz HVPFFYUOASMSCW-KRWDZBQOSA-N 2 1 353.511 -0.853 20 0 FBADMP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641666650 484979622 /nfs/dbraw/zinc/97/96/22/484979622.db2.gz HVPFFYUOASMSCW-KRWDZBQOSA-N 2 1 353.511 -0.853 20 0 FBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641666651 484979344 /nfs/dbraw/zinc/97/93/44/484979344.db2.gz HVPFFYUOASMSCW-QGZVFWFLSA-N 2 1 353.511 -0.853 20 0 FBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641666651 484979340 /nfs/dbraw/zinc/97/93/40/484979340.db2.gz HVPFFYUOASMSCW-QGZVFWFLSA-N 2 1 353.511 -0.853 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641669660 484986134 /nfs/dbraw/zinc/98/61/34/484986134.db2.gz JGNWDZBSUADXKG-MSOLQXFVSA-N 2 1 368.522 -0.133 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641669669 484986194 /nfs/dbraw/zinc/98/61/94/484986194.db2.gz JGNWDZBSUADXKG-QZTJIDSGSA-N 2 1 368.522 -0.133 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641669671 484985541 /nfs/dbraw/zinc/98/55/41/484985541.db2.gz JGNWDZBSUADXKG-ROUUACIJSA-N 2 1 368.522 -0.133 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641669674 484985962 /nfs/dbraw/zinc/98/59/62/484985962.db2.gz JGNWDZBSUADXKG-ZWKOTPCHSA-N 2 1 368.522 -0.133 20 0 FBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000641671924 484986852 /nfs/dbraw/zinc/98/68/52/484986852.db2.gz YOIBOVUBKPXKCU-MSOLQXFVSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000641671924 484986848 /nfs/dbraw/zinc/98/68/48/484986848.db2.gz YOIBOVUBKPXKCU-MSOLQXFVSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000641671924 484986844 /nfs/dbraw/zinc/98/68/44/484986844.db2.gz YOIBOVUBKPXKCU-MSOLQXFVSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000641671925 484987648 /nfs/dbraw/zinc/98/76/48/484987648.db2.gz YOIBOVUBKPXKCU-QZTJIDSGSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000641671925 484987645 /nfs/dbraw/zinc/98/76/45/484987645.db2.gz YOIBOVUBKPXKCU-QZTJIDSGSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000641671925 484987640 /nfs/dbraw/zinc/98/76/40/484987640.db2.gz YOIBOVUBKPXKCU-QZTJIDSGSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000641671926 484987282 /nfs/dbraw/zinc/98/72/82/484987282.db2.gz YOIBOVUBKPXKCU-ROUUACIJSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000641671926 484987279 /nfs/dbraw/zinc/98/72/79/484987279.db2.gz YOIBOVUBKPXKCU-ROUUACIJSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000641671926 484987274 /nfs/dbraw/zinc/98/72/74/484987274.db2.gz YOIBOVUBKPXKCU-ROUUACIJSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000641671927 484987086 /nfs/dbraw/zinc/98/70/86/484987086.db2.gz YOIBOVUBKPXKCU-ZWKOTPCHSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000641671927 484987082 /nfs/dbraw/zinc/98/70/82/484987082.db2.gz YOIBOVUBKPXKCU-ZWKOTPCHSA-N 2 1 365.522 -0.711 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000641671927 484987081 /nfs/dbraw/zinc/98/70/81/484987081.db2.gz YOIBOVUBKPXKCU-ZWKOTPCHSA-N 2 1 365.522 -0.711 20 0 FBADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698091 484989874 /nfs/dbraw/zinc/98/98/74/484989874.db2.gz QIOZFZYPHRGAPR-INIZCTEOSA-N 2 1 362.540 -0.346 20 0 FBADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698091 484989869 /nfs/dbraw/zinc/98/98/69/484989869.db2.gz QIOZFZYPHRGAPR-INIZCTEOSA-N 2 1 362.540 -0.346 20 0 FBADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698092 484990832 /nfs/dbraw/zinc/99/08/32/484990832.db2.gz QIOZFZYPHRGAPR-MRXNPFEDSA-N 2 1 362.540 -0.346 20 0 FBADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698092 484990828 /nfs/dbraw/zinc/99/08/28/484990828.db2.gz QIOZFZYPHRGAPR-MRXNPFEDSA-N 2 1 362.540 -0.346 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641783287 485015526 /nfs/dbraw/zinc/01/55/26/485015526.db2.gz IZPDLEFXBCPQBB-KRWDZBQOSA-N 2 1 371.526 -0.340 20 0 FBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641783288 485015433 /nfs/dbraw/zinc/01/54/33/485015433.db2.gz IZPDLEFXBCPQBB-QGZVFWFLSA-N 2 1 371.526 -0.340 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802812 485021743 /nfs/dbraw/zinc/02/17/43/485021743.db2.gz PILZYJAMSHQWCB-KBPBESRZSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802813 485021855 /nfs/dbraw/zinc/02/18/55/485021855.db2.gz PILZYJAMSHQWCB-KGLIPLIRSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802814 485021716 /nfs/dbraw/zinc/02/17/16/485021716.db2.gz PILZYJAMSHQWCB-UONOGXRCSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802815 485022022 /nfs/dbraw/zinc/02/20/22/485022022.db2.gz PILZYJAMSHQWCB-ZIAGYGMSSA-N 2 1 353.511 -0.239 20 0 FBADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819159 485030642 /nfs/dbraw/zinc/03/06/42/485030642.db2.gz NDSHUABMKBXGJY-CHWSQXEVSA-N 2 1 367.416 -0.028 20 0 FBADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819160 485029785 /nfs/dbraw/zinc/02/97/85/485029785.db2.gz NDSHUABMKBXGJY-OLZOCXBDSA-N 2 1 367.416 -0.028 20 0 FBADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819161 485029829 /nfs/dbraw/zinc/02/98/29/485029829.db2.gz NDSHUABMKBXGJY-QWHCGFSZSA-N 2 1 367.416 -0.028 20 0 FBADMP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819162 485030607 /nfs/dbraw/zinc/03/06/07/485030607.db2.gz NDSHUABMKBXGJY-STQMWFEESA-N 2 1 367.416 -0.028 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1(C)C ZINC000641821190 485030190 /nfs/dbraw/zinc/03/01/90/485030190.db2.gz PVTYSHGTIREEQX-UHFFFAOYSA-N 2 1 361.450 -0.623 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1(C)C ZINC000641821190 485030182 /nfs/dbraw/zinc/03/01/82/485030182.db2.gz PVTYSHGTIREEQX-UHFFFAOYSA-N 2 1 361.450 -0.623 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641823735 485032214 /nfs/dbraw/zinc/03/22/14/485032214.db2.gz AEWITEBBEVXMHH-CABCVRRESA-N 2 1 352.479 -0.106 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641823735 485032202 /nfs/dbraw/zinc/03/22/02/485032202.db2.gz AEWITEBBEVXMHH-CABCVRRESA-N 2 1 352.479 -0.106 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000641824394 485034155 /nfs/dbraw/zinc/03/41/55/485034155.db2.gz IKEIKUQBODTMOK-AWEZNQCLSA-N 2 1 367.494 -0.615 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000641824394 485034148 /nfs/dbraw/zinc/03/41/48/485034148.db2.gz IKEIKUQBODTMOK-AWEZNQCLSA-N 2 1 367.494 -0.615 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000641824395 485032965 /nfs/dbraw/zinc/03/29/65/485032965.db2.gz IKEIKUQBODTMOK-CQSZACIVSA-N 2 1 367.494 -0.615 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000641824395 485032960 /nfs/dbraw/zinc/03/29/60/485032960.db2.gz IKEIKUQBODTMOK-CQSZACIVSA-N 2 1 367.494 -0.615 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1(C)C ZINC000641824913 485033934 /nfs/dbraw/zinc/03/39/34/485033934.db2.gz ODCMSEVGKOFEIN-AWEZNQCLSA-N 2 1 352.479 -0.247 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1(C)C ZINC000641824913 485033929 /nfs/dbraw/zinc/03/39/29/485033929.db2.gz ODCMSEVGKOFEIN-AWEZNQCLSA-N 2 1 352.479 -0.247 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1(C)C ZINC000641824916 485033315 /nfs/dbraw/zinc/03/33/15/485033315.db2.gz ODCMSEVGKOFEIN-CQSZACIVSA-N 2 1 352.479 -0.247 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1(C)C ZINC000641824916 485033308 /nfs/dbraw/zinc/03/33/08/485033308.db2.gz ODCMSEVGKOFEIN-CQSZACIVSA-N 2 1 352.479 -0.247 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641825189 485033071 /nfs/dbraw/zinc/03/30/71/485033071.db2.gz RFGKRWHTDCENMS-KRWDZBQOSA-N 2 1 371.526 -0.340 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641825190 485032629 /nfs/dbraw/zinc/03/26/29/485032629.db2.gz RFGKRWHTDCENMS-QGZVFWFLSA-N 2 1 371.526 -0.340 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840976 485044166 /nfs/dbraw/zinc/04/41/66/485044166.db2.gz IESKAAOQOQQPIE-KRWDZBQOSA-N 2 1 353.511 -0.014 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840977 485044244 /nfs/dbraw/zinc/04/42/44/485044244.db2.gz IESKAAOQOQQPIE-QGZVFWFLSA-N 2 1 353.511 -0.014 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000642015728 485151295 /nfs/dbraw/zinc/15/12/95/485151295.db2.gz XHVUJLRIRKJNGO-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000642015728 485151291 /nfs/dbraw/zinc/15/12/91/485151291.db2.gz XHVUJLRIRKJNGO-HNNXBMFYSA-N 2 1 355.483 -0.440 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000642015729 485150962 /nfs/dbraw/zinc/15/09/62/485150962.db2.gz XHVUJLRIRKJNGO-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000642015729 485150958 /nfs/dbraw/zinc/15/09/58/485150958.db2.gz XHVUJLRIRKJNGO-OAHLLOKOSA-N 2 1 355.483 -0.440 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000642076203 485178252 /nfs/dbraw/zinc/17/82/52/485178252.db2.gz IVJWZXRUTXJONI-CABCVRRESA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000642076204 485177447 /nfs/dbraw/zinc/17/74/47/485177447.db2.gz IVJWZXRUTXJONI-GJZGRUSLSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000642076205 485178161 /nfs/dbraw/zinc/17/81/61/485178161.db2.gz IVJWZXRUTXJONI-HUUCEWRRSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000642076206 485177697 /nfs/dbraw/zinc/17/76/97/485177697.db2.gz IVJWZXRUTXJONI-LSDHHAIUSA-N 2 1 352.479 -0.057 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642076221 485177614 /nfs/dbraw/zinc/17/76/14/485177614.db2.gz MYGABCCCAOCENJ-IYBDPMFKSA-N 2 1 364.490 -0.185 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642101767 485189234 /nfs/dbraw/zinc/18/92/34/485189234.db2.gz AOPLVJGGYVKAMO-BHYGNILZSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642101768 485188673 /nfs/dbraw/zinc/18/86/73/485188673.db2.gz AOPLVJGGYVKAMO-UAGQMJEPSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642101769 485190232 /nfs/dbraw/zinc/19/02/32/485190232.db2.gz AOPLVJGGYVKAMO-USXIJHARSA-N 2 1 360.458 -0.048 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642101770 485190278 /nfs/dbraw/zinc/19/02/78/485190278.db2.gz AOPLVJGGYVKAMO-XIRDDKMYSA-N 2 1 360.458 -0.048 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642222628 483964256 /nfs/dbraw/zinc/96/42/56/483964256.db2.gz JFFNCACRVXNRCI-KFWWJZLASA-N 2 1 356.467 -0.966 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642222629 483963239 /nfs/dbraw/zinc/96/32/39/483963239.db2.gz JFFNCACRVXNRCI-RBSFLKMASA-N 2 1 356.467 -0.966 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642222630 483964494 /nfs/dbraw/zinc/96/44/94/483964494.db2.gz JFFNCACRVXNRCI-RRFJBIMHSA-N 2 1 356.467 -0.966 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642222631 483964173 /nfs/dbraw/zinc/96/41/73/483964173.db2.gz JFFNCACRVXNRCI-ZNMIVQPWSA-N 2 1 356.467 -0.966 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642222677 483964050 /nfs/dbraw/zinc/96/40/50/483964050.db2.gz TVLJIORNLFNFIL-ARFHVFGLSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642222678 483965046 /nfs/dbraw/zinc/96/50/46/483965046.db2.gz TVLJIORNLFNFIL-BZUAXINKSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642222679 483965760 /nfs/dbraw/zinc/96/57/60/483965760.db2.gz TVLJIORNLFNFIL-OAGGEKHMSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642222680 483965920 /nfs/dbraw/zinc/96/59/20/483965920.db2.gz TVLJIORNLFNFIL-XHSDSOJGSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642222713 483965844 /nfs/dbraw/zinc/96/58/44/483965844.db2.gz WNAXBTPLIUADIE-HZPDHXFCSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642222715 483964993 /nfs/dbraw/zinc/96/49/93/483964993.db2.gz WNAXBTPLIUADIE-JKSUJKDBSA-N 2 1 354.495 -0.084 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265417 484163298 /nfs/dbraw/zinc/16/32/98/484163298.db2.gz MQPHWIJUUSJWJI-GXTWGEPZSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265417 484163288 /nfs/dbraw/zinc/16/32/88/484163288.db2.gz MQPHWIJUUSJWJI-GXTWGEPZSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265418 484163499 /nfs/dbraw/zinc/16/34/99/484163499.db2.gz MQPHWIJUUSJWJI-JSGCOSHPSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265418 484163494 /nfs/dbraw/zinc/16/34/94/484163494.db2.gz MQPHWIJUUSJWJI-JSGCOSHPSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265419 484162271 /nfs/dbraw/zinc/16/22/71/484162271.db2.gz MQPHWIJUUSJWJI-OCCSQVGLSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265419 484162264 /nfs/dbraw/zinc/16/22/64/484162264.db2.gz MQPHWIJUUSJWJI-OCCSQVGLSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265420 484163142 /nfs/dbraw/zinc/16/31/42/484163142.db2.gz MQPHWIJUUSJWJI-TZMCWYRMSA-N 2 1 364.446 -0.142 20 0 FBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000642265420 484163133 /nfs/dbraw/zinc/16/31/33/484163133.db2.gz MQPHWIJUUSJWJI-TZMCWYRMSA-N 2 1 364.446 -0.142 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345367 484383265 /nfs/dbraw/zinc/38/32/65/484383265.db2.gz FCTBEPHLFGCPHO-CABCVRRESA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345367 484383261 /nfs/dbraw/zinc/38/32/61/484383261.db2.gz FCTBEPHLFGCPHO-CABCVRRESA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345368 484383225 /nfs/dbraw/zinc/38/32/25/484383225.db2.gz FCTBEPHLFGCPHO-GJZGRUSLSA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345368 484383220 /nfs/dbraw/zinc/38/32/20/484383220.db2.gz FCTBEPHLFGCPHO-GJZGRUSLSA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345369 484382817 /nfs/dbraw/zinc/38/28/17/484382817.db2.gz FCTBEPHLFGCPHO-HUUCEWRRSA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345369 484382810 /nfs/dbraw/zinc/38/28/10/484382810.db2.gz FCTBEPHLFGCPHO-HUUCEWRRSA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345370 484382543 /nfs/dbraw/zinc/38/25/43/484382543.db2.gz FCTBEPHLFGCPHO-LSDHHAIUSA-N 2 1 353.511 -0.095 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345370 484382536 /nfs/dbraw/zinc/38/25/36/484382536.db2.gz FCTBEPHLFGCPHO-LSDHHAIUSA-N 2 1 353.511 -0.095 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345371 484382933 /nfs/dbraw/zinc/38/29/33/484382933.db2.gz FEBCRSONUPRBRU-BFYDXBDKSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345371 484382929 /nfs/dbraw/zinc/38/29/29/484382929.db2.gz FEBCRSONUPRBRU-BFYDXBDKSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345372 484382331 /nfs/dbraw/zinc/38/23/31/484382331.db2.gz FEBCRSONUPRBRU-HLLBOEOZSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345372 484382324 /nfs/dbraw/zinc/38/23/24/484382324.db2.gz FEBCRSONUPRBRU-HLLBOEOZSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H]1C[NH3+] ZINC000642345373 484382988 /nfs/dbraw/zinc/38/29/88/484382988.db2.gz FEBCRSONUPRBRU-INMHGKMJSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H]1C[NH3+] ZINC000642345373 484382984 /nfs/dbraw/zinc/38/29/84/484382984.db2.gz FEBCRSONUPRBRU-INMHGKMJSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H]1C[NH3+] ZINC000642345374 484382233 /nfs/dbraw/zinc/38/22/33/484382233.db2.gz FEBCRSONUPRBRU-VYDXJSESSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H]1C[NH3+] ZINC000642345374 484382228 /nfs/dbraw/zinc/38/22/28/484382228.db2.gz FEBCRSONUPRBRU-VYDXJSESSA-N 2 1 365.522 -0.143 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345375 484382080 /nfs/dbraw/zinc/38/20/80/484382080.db2.gz GJKOUTJEKZYUSZ-DOTOQJQBSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345375 484382073 /nfs/dbraw/zinc/38/20/73/484382073.db2.gz GJKOUTJEKZYUSZ-DOTOQJQBSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345376 484382583 /nfs/dbraw/zinc/38/25/83/484382583.db2.gz GJKOUTJEKZYUSZ-NVXWUHKLSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345376 484382578 /nfs/dbraw/zinc/38/25/78/484382578.db2.gz GJKOUTJEKZYUSZ-NVXWUHKLSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345377 484382116 /nfs/dbraw/zinc/38/21/16/484382116.db2.gz GJKOUTJEKZYUSZ-RDJZCZTQSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345377 484382110 /nfs/dbraw/zinc/38/21/10/484382110.db2.gz GJKOUTJEKZYUSZ-RDJZCZTQSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345378 484382897 /nfs/dbraw/zinc/38/28/97/484382897.db2.gz GJKOUTJEKZYUSZ-WBVHZDCISA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345378 484382892 /nfs/dbraw/zinc/38/28/92/484382892.db2.gz GJKOUTJEKZYUSZ-WBVHZDCISA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345381 484382386 /nfs/dbraw/zinc/38/23/86/484382386.db2.gz HOSPEEKCWAIDAZ-HLLBOEOZSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345381 484382379 /nfs/dbraw/zinc/38/23/79/484382379.db2.gz HOSPEEKCWAIDAZ-HLLBOEOZSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345382 484382652 /nfs/dbraw/zinc/38/26/52/484382652.db2.gz HOSPEEKCWAIDAZ-VYDXJSESSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345382 484382644 /nfs/dbraw/zinc/38/26/44/484382644.db2.gz HOSPEEKCWAIDAZ-VYDXJSESSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345383 484383157 /nfs/dbraw/zinc/38/31/57/484383157.db2.gz HOSPEEKCWAIDAZ-YQQAZPJKSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345383 484383152 /nfs/dbraw/zinc/38/31/52/484383152.db2.gz HOSPEEKCWAIDAZ-YQQAZPJKSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345384 484383016 /nfs/dbraw/zinc/38/30/16/484383016.db2.gz HOSPEEKCWAIDAZ-ZOBUZTSGSA-N 2 1 365.522 -0.095 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345384 484383009 /nfs/dbraw/zinc/38/30/09/484383009.db2.gz HOSPEEKCWAIDAZ-ZOBUZTSGSA-N 2 1 365.522 -0.095 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345440 484383696 /nfs/dbraw/zinc/38/36/96/484383696.db2.gz SYUWIVHDHJLJRX-UXLLHSPISA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345440 484383689 /nfs/dbraw/zinc/38/36/89/484383689.db2.gz SYUWIVHDHJLJRX-UXLLHSPISA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345441 484383660 /nfs/dbraw/zinc/38/36/60/484383660.db2.gz SYUWIVHDHJLJRX-YQQAZPJKSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345441 484383655 /nfs/dbraw/zinc/38/36/55/484383655.db2.gz SYUWIVHDHJLJRX-YQQAZPJKSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345442 484384474 /nfs/dbraw/zinc/38/44/74/484384474.db2.gz SYUWIVHDHJLJRX-ZMSDIMECSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345442 484384467 /nfs/dbraw/zinc/38/44/67/484384467.db2.gz SYUWIVHDHJLJRX-ZMSDIMECSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642345443 484385347 /nfs/dbraw/zinc/38/53/47/484385347.db2.gz SYUWIVHDHJLJRX-ZOBUZTSGSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642345443 484385340 /nfs/dbraw/zinc/38/53/40/484385340.db2.gz SYUWIVHDHJLJRX-ZOBUZTSGSA-N 2 1 365.522 -0.001 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000642394709 485138315 /nfs/dbraw/zinc/13/83/15/485138315.db2.gz DWAPDCAYXAGDBE-BARDWOONSA-N 2 1 370.494 -0.435 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000642394709 485138310 /nfs/dbraw/zinc/13/83/10/485138310.db2.gz DWAPDCAYXAGDBE-BARDWOONSA-N 2 1 370.494 -0.435 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000642394710 485138617 /nfs/dbraw/zinc/13/86/17/485138617.db2.gz DWAPDCAYXAGDBE-KBXIAJHMSA-N 2 1 370.494 -0.435 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000642394711 485138004 /nfs/dbraw/zinc/13/80/04/485138004.db2.gz DWAPDCAYXAGDBE-TUVASFSCSA-N 2 1 370.494 -0.435 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000642394712 485138847 /nfs/dbraw/zinc/13/88/47/485138847.db2.gz DWAPDCAYXAGDBE-XGUBFFRZSA-N 2 1 370.494 -0.435 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000642394712 485138845 /nfs/dbraw/zinc/13/88/45/485138845.db2.gz DWAPDCAYXAGDBE-XGUBFFRZSA-N 2 1 370.494 -0.435 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000642531624 484387007 /nfs/dbraw/zinc/38/70/07/484387007.db2.gz KERMUQQLICMLLM-CVEARBPZSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000642531625 484386769 /nfs/dbraw/zinc/38/67/69/484386769.db2.gz KERMUQQLICMLLM-HOTGVXAUSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000642531626 484386712 /nfs/dbraw/zinc/38/67/12/484386712.db2.gz KERMUQQLICMLLM-HZPDHXFCSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000642531627 484387026 /nfs/dbraw/zinc/38/70/26/484387026.db2.gz KERMUQQLICMLLM-JKSUJKDBSA-N 2 1 353.511 -0.367 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000642647736 484880711 /nfs/dbraw/zinc/88/07/11/484880711.db2.gz KEHIRCHPMAPEMY-OAHLLOKOSA-N 2 1 353.511 -0.415 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680455 483409521 /nfs/dbraw/zinc/40/95/21/483409521.db2.gz DWSLOBDBYLHMDW-NEPJUHHUSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680455 483409515 /nfs/dbraw/zinc/40/95/15/483409515.db2.gz DWSLOBDBYLHMDW-NEPJUHHUSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680456 483410035 /nfs/dbraw/zinc/41/00/35/483410035.db2.gz DWSLOBDBYLHMDW-NWDGAFQWSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680456 483410030 /nfs/dbraw/zinc/41/00/30/483410030.db2.gz DWSLOBDBYLHMDW-NWDGAFQWSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680457 483409646 /nfs/dbraw/zinc/40/96/46/483409646.db2.gz DWSLOBDBYLHMDW-RYUDHWBXSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680457 483409640 /nfs/dbraw/zinc/40/96/40/483409640.db2.gz DWSLOBDBYLHMDW-RYUDHWBXSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680458 483409731 /nfs/dbraw/zinc/40/97/31/483409731.db2.gz DWSLOBDBYLHMDW-VXGBXAGGSA-N 2 1 368.400 -0.049 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000642680458 483409729 /nfs/dbraw/zinc/40/97/29/483409729.db2.gz DWSLOBDBYLHMDW-VXGBXAGGSA-N 2 1 368.400 -0.049 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[NH2+]1 ZINC000642683341 483409849 /nfs/dbraw/zinc/40/98/49/483409849.db2.gz WXPIJOONKVGAFY-MRXNPFEDSA-N 2 1 353.511 -0.415 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H](C)[NH3+])cc2)CC1 ZINC000642720649 483515691 /nfs/dbraw/zinc/51/56/91/483515691.db2.gz QXRSEFSYSHLVPI-HNNXBMFYSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])cc2)CC1 ZINC000642720650 483516067 /nfs/dbraw/zinc/51/60/67/483516067.db2.gz QXRSEFSYSHLVPI-OAHLLOKOSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642720656 483515039 /nfs/dbraw/zinc/51/50/39/483515039.db2.gz YZJHIYKGSZZXEQ-HNNXBMFYSA-N 2 1 361.490 -0.096 20 0 FBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642720657 483515108 /nfs/dbraw/zinc/51/51/08/483515108.db2.gz YZJHIYKGSZZXEQ-OAHLLOKOSA-N 2 1 361.490 -0.096 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642723153 483515083 /nfs/dbraw/zinc/51/50/83/483515083.db2.gz LSBGZEOUKNQWET-PBHICJAKSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642723153 483515075 /nfs/dbraw/zinc/51/50/75/483515075.db2.gz LSBGZEOUKNQWET-PBHICJAKSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642723154 483515608 /nfs/dbraw/zinc/51/56/08/483515608.db2.gz LSBGZEOUKNQWET-RHSMWYFYSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642723154 483515603 /nfs/dbraw/zinc/51/56/03/483515603.db2.gz LSBGZEOUKNQWET-RHSMWYFYSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642723155 483515845 /nfs/dbraw/zinc/51/58/45/483515845.db2.gz LSBGZEOUKNQWET-WMLDXEAASA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642723155 483515840 /nfs/dbraw/zinc/51/58/40/483515840.db2.gz LSBGZEOUKNQWET-WMLDXEAASA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642723156 483515658 /nfs/dbraw/zinc/51/56/58/483515658.db2.gz LSBGZEOUKNQWET-YOEHRIQHSA-N 2 1 360.458 -0.265 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642723156 483515651 /nfs/dbraw/zinc/51/56/51/483515651.db2.gz LSBGZEOUKNQWET-YOEHRIQHSA-N 2 1 360.458 -0.265 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000642723708 483515741 /nfs/dbraw/zinc/51/57/41/483515741.db2.gz ZVHXIEZQKMFVFC-HUUCEWRRSA-N 2 1 367.494 -0.854 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000642723709 483515885 /nfs/dbraw/zinc/51/58/85/483515885.db2.gz ZVHXIEZQKMFVFC-LSDHHAIUSA-N 2 1 367.494 -0.854 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[NH2+]C1CC1 ZINC000642724563 483515766 /nfs/dbraw/zinc/51/57/66/483515766.db2.gz YJCDOVGNOZDKMV-UHFFFAOYSA-N 2 1 374.489 -0.422 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000642735278 483578352 /nfs/dbraw/zinc/57/83/52/483578352.db2.gz UJLQYEFNCNOEPA-INIZCTEOSA-N 2 1 361.490 -0.226 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000642735279 483577308 /nfs/dbraw/zinc/57/73/08/483577308.db2.gz UJLQYEFNCNOEPA-MRXNPFEDSA-N 2 1 361.490 -0.226 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000642735284 483577680 /nfs/dbraw/zinc/57/76/80/483577680.db2.gz XIRUENLCCRNOBN-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000642735284 483577676 /nfs/dbraw/zinc/57/76/76/483577676.db2.gz XIRUENLCCRNOBN-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735284 483577672 /nfs/dbraw/zinc/57/76/72/483577672.db2.gz XIRUENLCCRNOBN-DOTOQJQBSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000642735285 483578034 /nfs/dbraw/zinc/57/80/34/483578034.db2.gz XIRUENLCCRNOBN-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000642735285 483578031 /nfs/dbraw/zinc/57/80/31/483578031.db2.gz XIRUENLCCRNOBN-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735285 483578026 /nfs/dbraw/zinc/57/80/26/483578026.db2.gz XIRUENLCCRNOBN-NVXWUHKLSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000642735286 483578102 /nfs/dbraw/zinc/57/81/02/483578102.db2.gz XIRUENLCCRNOBN-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000642735286 483578100 /nfs/dbraw/zinc/57/81/00/483578100.db2.gz XIRUENLCCRNOBN-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000642735286 483578094 /nfs/dbraw/zinc/57/80/94/483578094.db2.gz XIRUENLCCRNOBN-RDJZCZTQSA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000642735287 483577785 /nfs/dbraw/zinc/57/77/85/483577785.db2.gz XIRUENLCCRNOBN-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000642735287 483577780 /nfs/dbraw/zinc/57/77/80/483577780.db2.gz XIRUENLCCRNOBN-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000642735287 483577776 /nfs/dbraw/zinc/57/77/76/483577776.db2.gz XIRUENLCCRNOBN-WBVHZDCISA-N 2 1 361.490 -0.055 20 0 FBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642750505 483587297 /nfs/dbraw/zinc/58/72/97/483587297.db2.gz KLVURUQAKGGCJD-HNNXBMFYSA-N 2 1 367.494 -0.695 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642750506 483587694 /nfs/dbraw/zinc/58/76/94/483587694.db2.gz KLVURUQAKGGCJD-OAHLLOKOSA-N 2 1 367.494 -0.695 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642750931 483587764 /nfs/dbraw/zinc/58/77/64/483587764.db2.gz YIBVZGINLJVTRN-QGZVFWFLSA-N 2 1 367.538 -0.023 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756526 483601080 /nfs/dbraw/zinc/60/10/80/483601080.db2.gz XHQYPYXOYJAFQR-CABCVRRESA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756527 483601570 /nfs/dbraw/zinc/60/15/70/483601570.db2.gz XHQYPYXOYJAFQR-GJZGRUSLSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756528 483601270 /nfs/dbraw/zinc/60/12/70/483601270.db2.gz XHQYPYXOYJAFQR-HUUCEWRRSA-N 2 1 367.494 -0.696 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756529 483601095 /nfs/dbraw/zinc/60/10/95/483601095.db2.gz XHQYPYXOYJAFQR-LSDHHAIUSA-N 2 1 367.494 -0.696 20 0 FBADMP Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(N2CCCC2)[nH+]1 ZINC000642778744 483636141 /nfs/dbraw/zinc/63/61/41/483636141.db2.gz IAEJQSTYPZOSRL-INIZCTEOSA-N 2 1 374.489 -0.292 20 0 FBADMP Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c(N2CCCC2)[nH+]1 ZINC000642778748 483636948 /nfs/dbraw/zinc/63/69/48/483636948.db2.gz IAEJQSTYPZOSRL-MRXNPFEDSA-N 2 1 374.489 -0.292 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808929 483752383 /nfs/dbraw/zinc/75/23/83/483752383.db2.gz JJOQTAXMTZTGLH-BBRMVZONSA-N 2 1 366.437 -0.052 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808930 483752158 /nfs/dbraw/zinc/75/21/58/483752158.db2.gz JJOQTAXMTZTGLH-CJNGLKHVSA-N 2 1 366.437 -0.052 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808931 483752165 /nfs/dbraw/zinc/75/21/65/483752165.db2.gz JJOQTAXMTZTGLH-CZUORRHYSA-N 2 1 366.437 -0.052 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808932 483752306 /nfs/dbraw/zinc/75/23/06/483752306.db2.gz JJOQTAXMTZTGLH-XJKSGUPXSA-N 2 1 366.437 -0.052 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642886774 483799111 /nfs/dbraw/zinc/79/91/11/483799111.db2.gz CADSDSAITSTRES-DLBZAZTESA-N 2 1 367.538 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642886775 483799275 /nfs/dbraw/zinc/79/92/75/483799275.db2.gz CADSDSAITSTRES-IAGOWNOFSA-N 2 1 367.538 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886888 483799438 /nfs/dbraw/zinc/79/94/38/483799438.db2.gz XPYMZIFPUXPDDF-CVEARBPZSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886889 483799594 /nfs/dbraw/zinc/79/95/94/483799594.db2.gz XPYMZIFPUXPDDF-HOTGVXAUSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886890 483799614 /nfs/dbraw/zinc/79/96/14/483799614.db2.gz XPYMZIFPUXPDDF-HZPDHXFCSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886891 483799135 /nfs/dbraw/zinc/79/91/35/483799135.db2.gz XPYMZIFPUXPDDF-JKSUJKDBSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000642895936 483838941 /nfs/dbraw/zinc/83/89/41/483838941.db2.gz YUKPNBDUJFGADV-SJPCQFCGSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896302 483839754 /nfs/dbraw/zinc/83/97/54/483839754.db2.gz BQRHVPNSCMWKPE-INIZCTEOSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896303 483839819 /nfs/dbraw/zinc/83/98/19/483839819.db2.gz BQRHVPNSCMWKPE-MRXNPFEDSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897309 483845455 /nfs/dbraw/zinc/84/54/55/483845455.db2.gz NYIVWGNREDLRNZ-GOSISDBHSA-N 2 1 373.501 -0.259 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897310 483845518 /nfs/dbraw/zinc/84/55/18/483845518.db2.gz NYIVWGNREDLRNZ-SFHVURJKSA-N 2 1 373.501 -0.259 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903352 483871563 /nfs/dbraw/zinc/87/15/63/483871563.db2.gz HWWAMIDOMFYSSX-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903352 483871562 /nfs/dbraw/zinc/87/15/62/483871562.db2.gz HWWAMIDOMFYSSX-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903353 483871501 /nfs/dbraw/zinc/87/15/01/483871501.db2.gz HWWAMIDOMFYSSX-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903353 483871499 /nfs/dbraw/zinc/87/14/99/483871499.db2.gz HWWAMIDOMFYSSX-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903701 483871574 /nfs/dbraw/zinc/87/15/74/483871574.db2.gz NHESENHOAOWVQJ-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903702 483871214 /nfs/dbraw/zinc/87/12/14/483871214.db2.gz NHESENHOAOWVQJ-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903703 483871571 /nfs/dbraw/zinc/87/15/71/483871571.db2.gz NHESENHOAOWVQJ-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903704 483871548 /nfs/dbraw/zinc/87/15/48/483871548.db2.gz NHESENHOAOWVQJ-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642904552 483872010 /nfs/dbraw/zinc/87/20/10/483872010.db2.gz YWPSQCOUZCPGAP-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642904552 483872007 /nfs/dbraw/zinc/87/20/07/483872007.db2.gz YWPSQCOUZCPGAP-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642904553 483872099 /nfs/dbraw/zinc/87/20/99/483872099.db2.gz YWPSQCOUZCPGAP-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642904553 483872098 /nfs/dbraw/zinc/87/20/98/483872098.db2.gz YWPSQCOUZCPGAP-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642904554 483872105 /nfs/dbraw/zinc/87/21/05/483872105.db2.gz YWPSQCOUZCPGAP-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642904554 483872104 /nfs/dbraw/zinc/87/21/04/483872104.db2.gz YWPSQCOUZCPGAP-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642904555 483872046 /nfs/dbraw/zinc/87/20/46/483872046.db2.gz YWPSQCOUZCPGAP-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642904555 483872045 /nfs/dbraw/zinc/87/20/45/483872045.db2.gz YWPSQCOUZCPGAP-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905044 483871724 /nfs/dbraw/zinc/87/17/24/483871724.db2.gz FHLPHKJFGDDGEV-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905045 483871838 /nfs/dbraw/zinc/87/18/38/483871838.db2.gz FHLPHKJFGDDGEV-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905046 483871896 /nfs/dbraw/zinc/87/18/96/483871896.db2.gz FHLPHKJFGDDGEV-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905047 483871799 /nfs/dbraw/zinc/87/17/99/483871799.db2.gz FHLPHKJFGDDGEV-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905295 483872120 /nfs/dbraw/zinc/87/21/20/483872120.db2.gz JYVFGRZUJUZPOP-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905296 483871676 /nfs/dbraw/zinc/87/16/76/483871676.db2.gz JYVFGRZUJUZPOP-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905297 483871826 /nfs/dbraw/zinc/87/18/26/483871826.db2.gz JYVFGRZUJUZPOP-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905298 483872131 /nfs/dbraw/zinc/87/21/31/483872131.db2.gz JYVFGRZUJUZPOP-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642906260 483872610 /nfs/dbraw/zinc/87/26/10/483872610.db2.gz CGCSIUBYDIORDG-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642906261 483872564 /nfs/dbraw/zinc/87/25/64/483872564.db2.gz CGCSIUBYDIORDG-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642906262 483872511 /nfs/dbraw/zinc/87/25/11/483872511.db2.gz CGCSIUBYDIORDG-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642906263 483872383 /nfs/dbraw/zinc/87/23/83/483872383.db2.gz CGCSIUBYDIORDG-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000642909265 483874891 /nfs/dbraw/zinc/87/48/91/483874891.db2.gz JPXKNVFTIRDGCI-INIZCTEOSA-N 2 1 361.490 -0.274 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000642909266 483875080 /nfs/dbraw/zinc/87/50/80/483875080.db2.gz JPXKNVFTIRDGCI-MRXNPFEDSA-N 2 1 361.490 -0.274 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000642909694 483875490 /nfs/dbraw/zinc/87/54/90/483875490.db2.gz SCLCHILYBFAJOG-LLVKDONJSA-N 2 1 354.373 -0.437 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000642909695 483875275 /nfs/dbraw/zinc/87/52/75/483875275.db2.gz SCLCHILYBFAJOG-NSHDSACASA-N 2 1 354.373 -0.437 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000642910584 483875698 /nfs/dbraw/zinc/87/56/98/483875698.db2.gz JFFRWPKWDGYGKD-CHWSQXEVSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000642910585 483875747 /nfs/dbraw/zinc/87/57/47/483875747.db2.gz JFFRWPKWDGYGKD-OLZOCXBDSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000642910586 483875704 /nfs/dbraw/zinc/87/57/04/483875704.db2.gz JFFRWPKWDGYGKD-QWHCGFSZSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000642910587 483875794 /nfs/dbraw/zinc/87/57/94/483875794.db2.gz JFFRWPKWDGYGKD-STQMWFEESA-N 2 1 353.492 -0.384 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912550 483876470 /nfs/dbraw/zinc/87/64/70/483876470.db2.gz XSUGOXYSEBGKLB-JYJNAYRXSA-N 2 1 351.495 -0.389 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912551 483876781 /nfs/dbraw/zinc/87/67/81/483876781.db2.gz XSUGOXYSEBGKLB-OAGGEKHMSA-N 2 1 351.495 -0.389 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912552 483876641 /nfs/dbraw/zinc/87/66/41/483876641.db2.gz XSUGOXYSEBGKLB-PMPSAXMXSA-N 2 1 351.495 -0.389 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912553 483876504 /nfs/dbraw/zinc/87/65/04/483876504.db2.gz XSUGOXYSEBGKLB-XHSDSOJGSA-N 2 1 351.495 -0.389 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NCC[NH2+]C2CC2)(N2CCCCC2)CC1 ZINC000642917903 483879953 /nfs/dbraw/zinc/87/99/53/483879953.db2.gz HPHBSIVKTIJVEG-UHFFFAOYSA-N 3 1 365.522 -0.079 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918397 483880332 /nfs/dbraw/zinc/88/03/32/483880332.db2.gz SMDYTAMMJXFEEW-IYBDPMFKSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918818 483880037 /nfs/dbraw/zinc/88/00/37/483880037.db2.gz DBSFCCXRLNZMJL-INIZCTEOSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918819 483880328 /nfs/dbraw/zinc/88/03/28/483880328.db2.gz DBSFCCXRLNZMJL-MRXNPFEDSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000642919148 483880246 /nfs/dbraw/zinc/88/02/46/483880246.db2.gz PTTCPYCVHRZRNM-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000642919149 483880058 /nfs/dbraw/zinc/88/00/58/483880058.db2.gz PTTCPYCVHRZRNM-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642919150 483880073 /nfs/dbraw/zinc/88/00/73/483880073.db2.gz PTTCPYCVHRZRNM-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642919150 483880070 /nfs/dbraw/zinc/88/00/70/483880070.db2.gz PTTCPYCVHRZRNM-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642919151 483880345 /nfs/dbraw/zinc/88/03/45/483880345.db2.gz PTTCPYCVHRZRNM-LZWOXQAQSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642919151 483880343 /nfs/dbraw/zinc/88/03/43/483880343.db2.gz PTTCPYCVHRZRNM-LZWOXQAQSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642921186 483881627 /nfs/dbraw/zinc/88/16/27/483881627.db2.gz GZQMGFNZNJEFJS-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642921187 483881751 /nfs/dbraw/zinc/88/17/51/483881751.db2.gz GZQMGFNZNJEFJS-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)c2cccs2)CC1 ZINC000642926376 483883542 /nfs/dbraw/zinc/88/35/42/483883542.db2.gz XXMJPMAKAJRUBS-CYBMUJFWSA-N 2 1 351.476 -0.759 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)c2cccs2)CC1 ZINC000642926378 483883682 /nfs/dbraw/zinc/88/36/82/483883682.db2.gz XXMJPMAKAJRUBS-ZDUSSCGKSA-N 2 1 351.476 -0.759 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642929601 483888847 /nfs/dbraw/zinc/88/88/47/483888847.db2.gz GUVIPDOGKDZNTB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642929601 483888845 /nfs/dbraw/zinc/88/88/45/483888845.db2.gz GUVIPDOGKDZNTB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642929602 483888900 /nfs/dbraw/zinc/88/89/00/483888900.db2.gz GUVIPDOGKDZNTB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642929602 483888899 /nfs/dbraw/zinc/88/88/99/483888899.db2.gz GUVIPDOGKDZNTB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642929603 483888791 /nfs/dbraw/zinc/88/87/91/483888791.db2.gz GUVIPDOGKDZNTB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642929603 483888790 /nfs/dbraw/zinc/88/87/90/483888790.db2.gz GUVIPDOGKDZNTB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642929604 483888768 /nfs/dbraw/zinc/88/87/68/483888768.db2.gz GUVIPDOGKDZNTB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642929604 483888765 /nfs/dbraw/zinc/88/87/65/483888765.db2.gz GUVIPDOGKDZNTB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929769 483888890 /nfs/dbraw/zinc/88/88/90/483888890.db2.gz GRKUCSFPWCEFII-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929770 483888660 /nfs/dbraw/zinc/88/86/60/483888660.db2.gz GRKUCSFPWCEFII-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929771 483888881 /nfs/dbraw/zinc/88/88/81/483888881.db2.gz GRKUCSFPWCEFII-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929772 483888921 /nfs/dbraw/zinc/88/89/21/483888921.db2.gz GRKUCSFPWCEFII-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642941826 484017800 /nfs/dbraw/zinc/01/78/00/484017800.db2.gz YFMWMFGRCUNTMS-CVEARBPZSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642941827 484016631 /nfs/dbraw/zinc/01/66/31/484016631.db2.gz YFMWMFGRCUNTMS-HOTGVXAUSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642941828 484017884 /nfs/dbraw/zinc/01/78/84/484017884.db2.gz YFMWMFGRCUNTMS-HZPDHXFCSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642941829 484017057 /nfs/dbraw/zinc/01/70/57/484017057.db2.gz YFMWMFGRCUNTMS-JKSUJKDBSA-N 2 1 353.511 -0.286 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957020 484249104 /nfs/dbraw/zinc/24/91/04/484249104.db2.gz MVHIYYOHZVMHPT-IKGGRYGDSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957021 484250175 /nfs/dbraw/zinc/25/01/75/484250175.db2.gz MVHIYYOHZVMHPT-IXDOHACOSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957022 484250129 /nfs/dbraw/zinc/25/01/29/484250129.db2.gz MVHIYYOHZVMHPT-ULQDDVLXSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957023 484249614 /nfs/dbraw/zinc/24/96/14/484249614.db2.gz MVHIYYOHZVMHPT-YESZJQIVSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969249 484404629 /nfs/dbraw/zinc/40/46/29/484404629.db2.gz JYUDYKJDHMHVAJ-DLBZAZTESA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969250 484404784 /nfs/dbraw/zinc/40/47/84/484404784.db2.gz JYUDYKJDHMHVAJ-IAGOWNOFSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969251 484404304 /nfs/dbraw/zinc/40/43/04/484404304.db2.gz JYUDYKJDHMHVAJ-IRXDYDNUSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969252 484404652 /nfs/dbraw/zinc/40/46/52/484404652.db2.gz JYUDYKJDHMHVAJ-SJORKVTESA-N 2 1 365.522 -0.142 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642975100 484404932 /nfs/dbraw/zinc/40/49/32/484404932.db2.gz GEJMRMODRMEZSN-HNNXBMFYSA-N 2 1 353.511 -0.142 20 0 FBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642975101 484405067 /nfs/dbraw/zinc/40/50/67/484405067.db2.gz GEJMRMODRMEZSN-OAHLLOKOSA-N 2 1 353.511 -0.142 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642981904 484406781 /nfs/dbraw/zinc/40/67/81/484406781.db2.gz LAIQOMUDLRCFHD-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642981905 484406793 /nfs/dbraw/zinc/40/67/93/484406793.db2.gz LAIQOMUDLRCFHD-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642981906 484406125 /nfs/dbraw/zinc/40/61/25/484406125.db2.gz LAIQOMUDLRCFHD-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642981907 484406688 /nfs/dbraw/zinc/40/66/88/484406688.db2.gz LAIQOMUDLRCFHD-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642987645 484406753 /nfs/dbraw/zinc/40/67/53/484406753.db2.gz ZPESGOREWVFSHN-BZUAXINKSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642987646 484406278 /nfs/dbraw/zinc/40/62/78/484406278.db2.gz ZPESGOREWVFSHN-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642987647 484407135 /nfs/dbraw/zinc/40/71/35/484407135.db2.gz ZPESGOREWVFSHN-OWCLPIDISA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642987648 484406516 /nfs/dbraw/zinc/40/65/16/484406516.db2.gz ZPESGOREWVFSHN-PMPSAXMXSA-N 2 1 351.495 -0.661 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642988249 484406414 /nfs/dbraw/zinc/40/64/14/484406414.db2.gz PTZQKANZOIQBBJ-CVEARBPZSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642988250 484406631 /nfs/dbraw/zinc/40/66/31/484406631.db2.gz PTZQKANZOIQBBJ-HOTGVXAUSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642988251 484406721 /nfs/dbraw/zinc/40/67/21/484406721.db2.gz PTZQKANZOIQBBJ-HZPDHXFCSA-N 2 1 353.511 -0.142 20 0 FBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642988252 484406316 /nfs/dbraw/zinc/40/63/16/484406316.db2.gz PTZQKANZOIQBBJ-JKSUJKDBSA-N 2 1 353.511 -0.142 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003629 484407632 /nfs/dbraw/zinc/40/76/32/484407632.db2.gz GOQCNIRDVWZFTA-NEPJUHHUSA-N 2 1 365.400 -0.851 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003630 484407579 /nfs/dbraw/zinc/40/75/79/484407579.db2.gz GOQCNIRDVWZFTA-NWDGAFQWSA-N 2 1 365.400 -0.851 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003631 484408365 /nfs/dbraw/zinc/40/83/65/484408365.db2.gz GOQCNIRDVWZFTA-RYUDHWBXSA-N 2 1 365.400 -0.851 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003632 484408310 /nfs/dbraw/zinc/40/83/10/484408310.db2.gz GOQCNIRDVWZFTA-VXGBXAGGSA-N 2 1 365.400 -0.851 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000643012080 484407917 /nfs/dbraw/zinc/40/79/17/484407917.db2.gz HZGNLMAOWOREMD-DLBZAZTESA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000643012081 484407881 /nfs/dbraw/zinc/40/78/81/484407881.db2.gz HZGNLMAOWOREMD-IAGOWNOFSA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000643012082 484407939 /nfs/dbraw/zinc/40/79/39/484407939.db2.gz HZGNLMAOWOREMD-IRXDYDNUSA-N 2 1 360.458 -0.176 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000643012083 484407837 /nfs/dbraw/zinc/40/78/37/484407837.db2.gz HZGNLMAOWOREMD-SJORKVTESA-N 2 1 360.458 -0.176 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372150 484290858 /nfs/dbraw/zinc/29/08/58/484290858.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643372150 484290855 /nfs/dbraw/zinc/29/08/55/484290855.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643372150 484290849 /nfs/dbraw/zinc/29/08/49/484290849.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372151 484290926 /nfs/dbraw/zinc/29/09/26/484290926.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643372151 484290923 /nfs/dbraw/zinc/29/09/23/484290923.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643372151 484290914 /nfs/dbraw/zinc/29/09/14/484290914.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372152 484290703 /nfs/dbraw/zinc/29/07/03/484290703.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643372152 484290698 /nfs/dbraw/zinc/29/06/98/484290698.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643372152 484290693 /nfs/dbraw/zinc/29/06/93/484290693.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372153 484290829 /nfs/dbraw/zinc/29/08/29/484290829.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643372153 484290824 /nfs/dbraw/zinc/29/08/24/484290824.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643372153 484290818 /nfs/dbraw/zinc/29/08/18/484290818.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643476684 484646142 /nfs/dbraw/zinc/64/61/42/484646142.db2.gz JRPGYSHNDIMILN-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643476685 484646961 /nfs/dbraw/zinc/64/69/61/484646961.db2.gz JRPGYSHNDIMILN-XHSDSOJGSA-N 2 1 350.463 -0.338 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCN1 ZINC000643476686 484646516 /nfs/dbraw/zinc/64/65/16/484646516.db2.gz JZQPOCXIVITVMN-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCN1 ZINC000643476687 484647017 /nfs/dbraw/zinc/64/70/17/484647017.db2.gz JZQPOCXIVITVMN-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000643480807 484686864 /nfs/dbraw/zinc/68/68/64/484686864.db2.gz NHIGMOHXSSORAP-AEFFLSMTSA-N 2 1 374.485 -0.052 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000643480808 484686795 /nfs/dbraw/zinc/68/67/95/484686795.db2.gz NHIGMOHXSSORAP-FUHWJXTLSA-N 2 1 374.485 -0.052 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000643480809 484687224 /nfs/dbraw/zinc/68/72/24/484687224.db2.gz NHIGMOHXSSORAP-SJLPKXTDSA-N 2 1 374.485 -0.052 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000643480810 484687047 /nfs/dbraw/zinc/68/70/47/484687047.db2.gz NHIGMOHXSSORAP-WMZOPIPTSA-N 2 1 374.485 -0.052 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489743 485142393 /nfs/dbraw/zinc/14/23/93/485142393.db2.gz BVOAIGBQMOCWAM-CVEARBPZSA-N 2 1 351.495 -0.707 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489744 485142887 /nfs/dbraw/zinc/14/28/87/485142887.db2.gz BVOAIGBQMOCWAM-HOTGVXAUSA-N 2 1 351.495 -0.707 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489745 485142337 /nfs/dbraw/zinc/14/23/37/485142337.db2.gz BVOAIGBQMOCWAM-HZPDHXFCSA-N 2 1 351.495 -0.707 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489746 485142741 /nfs/dbraw/zinc/14/27/41/485142741.db2.gz BVOAIGBQMOCWAM-JKSUJKDBSA-N 2 1 351.495 -0.707 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000643490548 485144729 /nfs/dbraw/zinc/14/47/29/485144729.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000643490548 485144725 /nfs/dbraw/zinc/14/47/25/485144725.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 2 1 367.538 -0.073 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000643492377 485203949 /nfs/dbraw/zinc/20/39/49/485203949.db2.gz ITBJAPRZZOKZOL-CABCVRRESA-N 2 1 361.446 -0.387 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000643492378 485204107 /nfs/dbraw/zinc/20/41/07/485204107.db2.gz ITBJAPRZZOKZOL-GJZGRUSLSA-N 2 1 361.446 -0.387 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000643492379 485204415 /nfs/dbraw/zinc/20/44/15/485204415.db2.gz ITBJAPRZZOKZOL-HUUCEWRRSA-N 2 1 361.446 -0.387 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000643492380 485204446 /nfs/dbraw/zinc/20/44/46/485204446.db2.gz ITBJAPRZZOKZOL-LSDHHAIUSA-N 2 1 361.446 -0.387 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000643492413 485203822 /nfs/dbraw/zinc/20/38/22/485203822.db2.gz NZGZVOABVHGEGV-HNNXBMFYSA-N 2 1 361.446 -0.385 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000643492414 485204646 /nfs/dbraw/zinc/20/46/46/485204646.db2.gz NZGZVOABVHGEGV-OAHLLOKOSA-N 2 1 361.446 -0.385 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000643498060 485276260 /nfs/dbraw/zinc/27/62/60/485276260.db2.gz SYISXYOAWLGADU-ARKGTOAJSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000643498060 485276255 /nfs/dbraw/zinc/27/62/55/485276255.db2.gz SYISXYOAWLGADU-ARKGTOAJSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000643498061 485276330 /nfs/dbraw/zinc/27/63/30/485276330.db2.gz SYISXYOAWLGADU-CQJMVSDSSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1[NH3+] ZINC000643498062 485276772 /nfs/dbraw/zinc/27/67/72/485276772.db2.gz SYISXYOAWLGADU-OTJKEOIZSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000643498063 485276572 /nfs/dbraw/zinc/27/65/72/485276572.db2.gz SYISXYOAWLGADU-QMHWVQJVSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000643498063 485276570 /nfs/dbraw/zinc/27/65/70/485276570.db2.gz SYISXYOAWLGADU-QMHWVQJVSA-N 2 1 352.479 -0.108 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500345 485289549 /nfs/dbraw/zinc/28/95/49/485289549.db2.gz HTGHXPWVXZTYRQ-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500346 485289304 /nfs/dbraw/zinc/28/93/04/485289304.db2.gz HTGHXPWVXZTYRQ-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C[C@@H]1[NH3+] ZINC000643501366 485292498 /nfs/dbraw/zinc/29/24/98/485292498.db2.gz FBPUBMVFDQKDTO-NCOADZHNSA-N 2 1 365.522 -0.191 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C[C@H]1[NH3+] ZINC000643501369 485292534 /nfs/dbraw/zinc/29/25/34/485292534.db2.gz FBPUBMVFDQKDTO-WCXIOVBPSA-N 2 1 365.522 -0.191 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643511863 485346603 /nfs/dbraw/zinc/34/66/03/485346603.db2.gz FBRXXDTZUHVGPR-INIZCTEOSA-N 2 1 365.522 -0.045 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643511864 485346497 /nfs/dbraw/zinc/34/64/97/485346497.db2.gz FBRXXDTZUHVGPR-MRXNPFEDSA-N 2 1 365.522 -0.045 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC000643512048 485347377 /nfs/dbraw/zinc/34/73/77/485347377.db2.gz DBAILRJQSABHKY-MPGHIAIKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC000643512048 485347375 /nfs/dbraw/zinc/34/73/75/485347375.db2.gz DBAILRJQSABHKY-MPGHIAIKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC000643512049 485347420 /nfs/dbraw/zinc/34/74/20/485347420.db2.gz DBAILRJQSABHKY-RLFYNMQTSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC000643512049 485347417 /nfs/dbraw/zinc/34/74/17/485347417.db2.gz DBAILRJQSABHKY-RLFYNMQTSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC000643512050 485347727 /nfs/dbraw/zinc/34/77/27/485347727.db2.gz DBAILRJQSABHKY-RVKKMQEKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC000643512050 485347725 /nfs/dbraw/zinc/34/77/25/485347725.db2.gz DBAILRJQSABHKY-RVKKMQEKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC000643512051 485347523 /nfs/dbraw/zinc/34/75/23/485347523.db2.gz DBAILRJQSABHKY-VKJFTORMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC000643512051 485347519 /nfs/dbraw/zinc/34/75/19/485347519.db2.gz DBAILRJQSABHKY-VKJFTORMSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000643512308 485348089 /nfs/dbraw/zinc/34/80/89/485348089.db2.gz FALUFKKAPIOPNC-JKJDWNRSSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512308 485348088 /nfs/dbraw/zinc/34/80/88/485348088.db2.gz FALUFKKAPIOPNC-JKJDWNRSSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000643512309 485348280 /nfs/dbraw/zinc/34/82/80/485348280.db2.gz FALUFKKAPIOPNC-LEOABGAYSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512309 485348277 /nfs/dbraw/zinc/34/82/77/485348277.db2.gz FALUFKKAPIOPNC-LEOABGAYSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000643512310 485348289 /nfs/dbraw/zinc/34/82/89/485348289.db2.gz FALUFKKAPIOPNC-QMHWVQJVSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000643512310 485348288 /nfs/dbraw/zinc/34/82/88/485348288.db2.gz FALUFKKAPIOPNC-QMHWVQJVSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000643512311 485348308 /nfs/dbraw/zinc/34/83/08/485348308.db2.gz FALUFKKAPIOPNC-RBZJEDDUSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000643512311 485348306 /nfs/dbraw/zinc/34/83/06/485348306.db2.gz FALUFKKAPIOPNC-RBZJEDDUSA-N 2 1 352.479 -0.514 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000643512328 485348753 /nfs/dbraw/zinc/34/87/53/485348753.db2.gz HOUDKQGCBZJRRL-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000643512328 485348750 /nfs/dbraw/zinc/34/87/50/485348750.db2.gz HOUDKQGCBZJRRL-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000643512329 485348899 /nfs/dbraw/zinc/34/88/99/485348899.db2.gz HOUDKQGCBZJRRL-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000643512329 485348897 /nfs/dbraw/zinc/34/88/97/485348897.db2.gz HOUDKQGCBZJRRL-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000643512330 485348691 /nfs/dbraw/zinc/34/86/91/485348691.db2.gz HOUDKQGCBZJRRL-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512330 485348689 /nfs/dbraw/zinc/34/86/89/485348689.db2.gz HOUDKQGCBZJRRL-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000643512331 485348867 /nfs/dbraw/zinc/34/88/67/485348867.db2.gz HOUDKQGCBZJRRL-QXSJWSMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512331 485348865 /nfs/dbraw/zinc/34/88/65/485348865.db2.gz HOUDKQGCBZJRRL-QXSJWSMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@H](C)O ZINC000643512348 485348928 /nfs/dbraw/zinc/34/89/28/485348928.db2.gz OFMHDHBJGNJQRT-DAYGRLMNSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000643512348 485348926 /nfs/dbraw/zinc/34/89/26/485348926.db2.gz OFMHDHBJGNJQRT-DAYGRLMNSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@H](C)O ZINC000643512349 485348812 /nfs/dbraw/zinc/34/88/12/485348812.db2.gz OFMHDHBJGNJQRT-HDMKZQKVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@H](C)O ZINC000643512349 485348808 /nfs/dbraw/zinc/34/88/08/485348808.db2.gz OFMHDHBJGNJQRT-HDMKZQKVSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000643512350 485348718 /nfs/dbraw/zinc/34/87/18/485348718.db2.gz OFMHDHBJGNJQRT-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512350 485348716 /nfs/dbraw/zinc/34/87/16/485348716.db2.gz OFMHDHBJGNJQRT-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1C[C@@H](C)O ZINC000643512351 485348858 /nfs/dbraw/zinc/34/88/58/485348858.db2.gz OFMHDHBJGNJQRT-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000643512351 485348856 /nfs/dbraw/zinc/34/88/56/485348856.db2.gz OFMHDHBJGNJQRT-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CCOC ZINC000643512377 485348802 /nfs/dbraw/zinc/34/88/02/485348802.db2.gz SRGVDXFBWCXDQF-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CCOC ZINC000643512377 485348799 /nfs/dbraw/zinc/34/87/99/485348799.db2.gz SRGVDXFBWCXDQF-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CCOC ZINC000643512378 485348821 /nfs/dbraw/zinc/34/88/21/485348821.db2.gz SRGVDXFBWCXDQF-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CCOC ZINC000643512378 485348818 /nfs/dbraw/zinc/34/88/18/485348818.db2.gz SRGVDXFBWCXDQF-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CCOC ZINC000643512379 485348560 /nfs/dbraw/zinc/34/85/60/485348560.db2.gz SRGVDXFBWCXDQF-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CCOC ZINC000643512379 485348558 /nfs/dbraw/zinc/34/85/58/485348558.db2.gz SRGVDXFBWCXDQF-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CCOC ZINC000643512380 485348782 /nfs/dbraw/zinc/34/87/82/485348782.db2.gz SRGVDXFBWCXDQF-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CCOC ZINC000643512380 485348779 /nfs/dbraw/zinc/34/87/79/485348779.db2.gz SRGVDXFBWCXDQF-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000643513494 485355386 /nfs/dbraw/zinc/35/53/86/485355386.db2.gz CVVNQGALNDDYQR-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000643513495 485355675 /nfs/dbraw/zinc/35/56/75/485355675.db2.gz CVVNQGALNDDYQR-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000643513496 485355645 /nfs/dbraw/zinc/35/56/45/485355645.db2.gz CVVNQGALNDDYQR-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000643513497 485355624 /nfs/dbraw/zinc/35/56/24/485355624.db2.gz CVVNQGALNDDYQR-XHSDSOJGSA-N 2 1 351.495 -0.566 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643513507 485355364 /nfs/dbraw/zinc/35/53/64/485355364.db2.gz FNBMJOJJNCEIKX-BBWFWOEESA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643513508 485355329 /nfs/dbraw/zinc/35/53/29/485355329.db2.gz FNBMJOJJNCEIKX-IXDOHACOSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643513511 485356002 /nfs/dbraw/zinc/35/60/02/485356002.db2.gz GGMGOKFZUYJWOE-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643513512 485355434 /nfs/dbraw/zinc/35/54/34/485355434.db2.gz GGMGOKFZUYJWOE-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643513513 485356535 /nfs/dbraw/zinc/35/65/35/485356535.db2.gz GGMGOKFZUYJWOE-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643513514 485356189 /nfs/dbraw/zinc/35/61/89/485356189.db2.gz GGMGOKFZUYJWOE-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513539 485356449 /nfs/dbraw/zinc/35/64/49/485356449.db2.gz LGBKNMSQPLKJPB-GPMSIDNRSA-N 2 1 365.522 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513540 485356268 /nfs/dbraw/zinc/35/62/68/485356268.db2.gz LGBKNMSQPLKJPB-JTDSTZFVSA-N 2 1 365.522 -0.332 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513551 485356134 /nfs/dbraw/zinc/35/61/34/485356134.db2.gz ODICNCCTZVXSGH-BRWVUGGUSA-N 2 1 365.522 -0.332 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513552 485356320 /nfs/dbraw/zinc/35/63/20/485356320.db2.gz ODICNCCTZVXSGH-IKGGRYGDSA-N 2 1 365.522 -0.332 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513553 485356164 /nfs/dbraw/zinc/35/61/64/485356164.db2.gz ODICNCCTZVXSGH-IXDOHACOSA-N 2 1 365.522 -0.332 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513554 485356285 /nfs/dbraw/zinc/35/62/85/485356285.db2.gz ODICNCCTZVXSGH-ZACQAIPSSA-N 2 1 365.522 -0.332 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513627 485356412 /nfs/dbraw/zinc/35/64/12/485356412.db2.gz SIUCPRMBEPMHAZ-DLBZAZTESA-N 2 1 365.522 -0.319 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513629 485356557 /nfs/dbraw/zinc/35/65/57/485356557.db2.gz SIUCPRMBEPMHAZ-IAGOWNOFSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513658 485356152 /nfs/dbraw/zinc/35/61/52/485356152.db2.gz XGMDDHZFGFDROV-HNNXBMFYSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513660 485356080 /nfs/dbraw/zinc/35/60/80/485356080.db2.gz XGMDDHZFGFDROV-OAHLLOKOSA-N 2 1 353.511 -0.332 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513675 485356304 /nfs/dbraw/zinc/35/63/04/485356304.db2.gz ZVJBDWWRIMFPGD-IKGGRYGDSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513677 485356253 /nfs/dbraw/zinc/35/62/53/485356253.db2.gz ZVJBDWWRIMFPGD-IXDOHACOSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513679 485356483 /nfs/dbraw/zinc/35/64/83/485356483.db2.gz ZVJBDWWRIMFPGD-ULQDDVLXSA-N 2 1 363.506 -0.565 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513681 485356503 /nfs/dbraw/zinc/35/65/03/485356503.db2.gz ZVJBDWWRIMFPGD-YESZJQIVSA-N 2 1 363.506 -0.565 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000643516557 485367912 /nfs/dbraw/zinc/36/79/12/485367912.db2.gz RYYWSVLONKPXCU-MRXNPFEDSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[NH2+]1 ZINC000643524569 483938381 /nfs/dbraw/zinc/93/83/81/483938381.db2.gz YJQBTQQNFNETGG-MRXNPFEDSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643530046 483954079 /nfs/dbraw/zinc/95/40/79/483954079.db2.gz CBPYVSVEIJNSGU-BFYDXBDKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643530047 483954486 /nfs/dbraw/zinc/95/44/86/483954486.db2.gz CBPYVSVEIJNSGU-HLLBOEOZSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643530048 483954247 /nfs/dbraw/zinc/95/42/47/483954247.db2.gz CBPYVSVEIJNSGU-INMHGKMJSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643530049 483953906 /nfs/dbraw/zinc/95/39/06/483953906.db2.gz CBPYVSVEIJNSGU-UXLLHSPISA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643530050 483954804 /nfs/dbraw/zinc/95/48/04/483954804.db2.gz CBPYVSVEIJNSGU-VYDXJSESSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643530051 483954472 /nfs/dbraw/zinc/95/44/72/483954472.db2.gz CBPYVSVEIJNSGU-YQQAZPJKSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643530052 483954620 /nfs/dbraw/zinc/95/46/20/483954620.db2.gz CBPYVSVEIJNSGU-ZMSDIMECSA-N 2 1 364.490 -0.092 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643530053 483954236 /nfs/dbraw/zinc/95/42/36/483954236.db2.gz CBPYVSVEIJNSGU-ZOBUZTSGSA-N 2 1 364.490 -0.092 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531805 483960946 /nfs/dbraw/zinc/96/09/46/483960946.db2.gz MWSDUKNCBRUZTC-DLBZAZTESA-N 2 1 360.458 -0.095 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531806 483960607 /nfs/dbraw/zinc/96/06/07/483960607.db2.gz MWSDUKNCBRUZTC-IAGOWNOFSA-N 2 1 360.458 -0.095 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531807 483961222 /nfs/dbraw/zinc/96/12/22/483961222.db2.gz MWSDUKNCBRUZTC-IRXDYDNUSA-N 2 1 360.458 -0.095 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531808 483960548 /nfs/dbraw/zinc/96/05/48/483960548.db2.gz MWSDUKNCBRUZTC-SJORKVTESA-N 2 1 360.458 -0.095 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000643539444 483982237 /nfs/dbraw/zinc/98/22/37/483982237.db2.gz DTLNGTXRKOJTBW-CABCVRRESA-N 2 1 370.494 -0.622 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000643539445 483981524 /nfs/dbraw/zinc/98/15/24/483981524.db2.gz DTLNGTXRKOJTBW-GJZGRUSLSA-N 2 1 370.494 -0.622 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000643539446 483981979 /nfs/dbraw/zinc/98/19/79/483981979.db2.gz DTLNGTXRKOJTBW-HUUCEWRRSA-N 2 1 370.494 -0.622 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000643539447 483982526 /nfs/dbraw/zinc/98/25/26/483982526.db2.gz DTLNGTXRKOJTBW-LSDHHAIUSA-N 2 1 370.494 -0.622 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000643540404 483987747 /nfs/dbraw/zinc/98/77/47/483987747.db2.gz DHWICUUQINLWRS-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000643540404 483987742 /nfs/dbraw/zinc/98/77/42/483987742.db2.gz DHWICUUQINLWRS-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000643540405 483988120 /nfs/dbraw/zinc/98/81/20/483988120.db2.gz DHWICUUQINLWRS-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000643540405 483988112 /nfs/dbraw/zinc/98/81/12/483988112.db2.gz DHWICUUQINLWRS-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000643540406 483987709 /nfs/dbraw/zinc/98/77/09/483987709.db2.gz DHWICUUQINLWRS-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000643540406 483987703 /nfs/dbraw/zinc/98/77/03/483987703.db2.gz DHWICUUQINLWRS-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000643540407 483988096 /nfs/dbraw/zinc/98/80/96/483988096.db2.gz DHWICUUQINLWRS-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000643540407 483988091 /nfs/dbraw/zinc/98/80/91/483988091.db2.gz DHWICUUQINLWRS-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH2+]1 ZINC000643540428 483988226 /nfs/dbraw/zinc/98/82/26/483988226.db2.gz GGGSVGHYXFWUET-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH2+]1 ZINC000643540428 483988222 /nfs/dbraw/zinc/98/82/22/483988222.db2.gz GGGSVGHYXFWUET-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH2+]1 ZINC000643540429 483988962 /nfs/dbraw/zinc/98/89/62/483988962.db2.gz GGGSVGHYXFWUET-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH2+]1 ZINC000643540429 483988954 /nfs/dbraw/zinc/98/89/54/483988954.db2.gz GGGSVGHYXFWUET-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000643540529 483985804 /nfs/dbraw/zinc/98/58/04/483985804.db2.gz OUXSJRCYRKTLEF-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000643540529 483985796 /nfs/dbraw/zinc/98/57/96/483985796.db2.gz OUXSJRCYRKTLEF-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000643540530 483985935 /nfs/dbraw/zinc/98/59/35/483985935.db2.gz OUXSJRCYRKTLEF-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000643540530 483985928 /nfs/dbraw/zinc/98/59/28/483985928.db2.gz OUXSJRCYRKTLEF-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643540531 483986460 /nfs/dbraw/zinc/98/64/60/483986460.db2.gz OUXSJRCYRKTLEF-RRFJBIMHSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643540531 483986455 /nfs/dbraw/zinc/98/64/55/483986455.db2.gz OUXSJRCYRKTLEF-RRFJBIMHSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643540532 483986083 /nfs/dbraw/zinc/98/60/83/483986083.db2.gz OUXSJRCYRKTLEF-ZNMIVQPWSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643540532 483986079 /nfs/dbraw/zinc/98/60/79/483986079.db2.gz OUXSJRCYRKTLEF-ZNMIVQPWSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000643540539 483986560 /nfs/dbraw/zinc/98/65/60/483986560.db2.gz PRAJPUZOCUVFBO-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000643540539 483986554 /nfs/dbraw/zinc/98/65/54/483986554.db2.gz PRAJPUZOCUVFBO-HNNXBMFYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000643540540 483985989 /nfs/dbraw/zinc/98/59/89/483985989.db2.gz PRAJPUZOCUVFBO-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000643540540 483985983 /nfs/dbraw/zinc/98/59/83/483985983.db2.gz PRAJPUZOCUVFBO-OAHLLOKOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000643541927 483397534 /nfs/dbraw/zinc/39/75/34/483397534.db2.gz SZRZPFXQEUEPPE-HZPDHXFCSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000643541928 483397369 /nfs/dbraw/zinc/39/73/69/483397369.db2.gz SZRZPFXQEUEPPE-JKSUJKDBSA-N 2 1 352.479 -0.377 20 0 FBADMP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000643541953 483396862 /nfs/dbraw/zinc/39/68/62/483396862.db2.gz YPFKIRGPUMOBRA-APWZRJJASA-N 2 1 364.490 -0.231 20 0 FBADMP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000643541954 483397292 /nfs/dbraw/zinc/39/72/92/483397292.db2.gz YPFKIRGPUMOBRA-LPHOPBHVSA-N 2 1 364.490 -0.231 20 0 FBADMP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000643541955 483397344 /nfs/dbraw/zinc/39/73/44/483397344.db2.gz YPFKIRGPUMOBRA-QFBILLFUSA-N 2 1 364.490 -0.231 20 0 FBADMP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000643541956 483397102 /nfs/dbraw/zinc/39/71/02/483397102.db2.gz YPFKIRGPUMOBRA-VQIMIIECSA-N 2 1 364.490 -0.231 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000643544982 483406623 /nfs/dbraw/zinc/40/66/23/483406623.db2.gz FUYJYORGKILEHV-ARFHVFGLSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000643544982 483406621 /nfs/dbraw/zinc/40/66/21/483406621.db2.gz FUYJYORGKILEHV-ARFHVFGLSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000643544983 483406709 /nfs/dbraw/zinc/40/67/09/483406709.db2.gz FUYJYORGKILEHV-BZUAXINKSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000643544983 483406703 /nfs/dbraw/zinc/40/67/03/483406703.db2.gz FUYJYORGKILEHV-BZUAXINKSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000643544984 483406504 /nfs/dbraw/zinc/40/65/04/483406504.db2.gz FUYJYORGKILEHV-OAGGEKHMSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000643544984 483406502 /nfs/dbraw/zinc/40/65/02/483406502.db2.gz FUYJYORGKILEHV-OAGGEKHMSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000643544985 483406477 /nfs/dbraw/zinc/40/64/77/483406477.db2.gz FUYJYORGKILEHV-XHSDSOJGSA-N 2 1 370.494 -0.480 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000643544985 483406474 /nfs/dbraw/zinc/40/64/74/483406474.db2.gz FUYJYORGKILEHV-XHSDSOJGSA-N 2 1 370.494 -0.480 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643545694 483406694 /nfs/dbraw/zinc/40/66/94/483406694.db2.gz AWVMSIRVDCKJCS-BEFAXECRSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643545694 483406691 /nfs/dbraw/zinc/40/66/91/483406691.db2.gz AWVMSIRVDCKJCS-BEFAXECRSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643545695 483406487 /nfs/dbraw/zinc/40/64/87/483406487.db2.gz AWVMSIRVDCKJCS-DNVCBOLYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643545695 483406484 /nfs/dbraw/zinc/40/64/84/483406484.db2.gz AWVMSIRVDCKJCS-DNVCBOLYSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643545696 483406355 /nfs/dbraw/zinc/40/63/55/483406355.db2.gz AWVMSIRVDCKJCS-HNAYVOBHSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643545696 483406349 /nfs/dbraw/zinc/40/63/49/483406349.db2.gz AWVMSIRVDCKJCS-HNAYVOBHSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643545697 483407204 /nfs/dbraw/zinc/40/72/04/483407204.db2.gz AWVMSIRVDCKJCS-KXBFYZLASA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643545697 483407200 /nfs/dbraw/zinc/40/72/00/483407200.db2.gz AWVMSIRVDCKJCS-KXBFYZLASA-N 2 1 366.506 -0.108 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000643546318 483407655 /nfs/dbraw/zinc/40/76/55/483407655.db2.gz MLHHDXWKWFHRCV-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000643546318 483407651 /nfs/dbraw/zinc/40/76/51/483407651.db2.gz MLHHDXWKWFHRCV-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[C@H]1[NH3+] ZINC000643546319 483407511 /nfs/dbraw/zinc/40/75/11/483407511.db2.gz MLHHDXWKWFHRCV-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[C@H]1[NH3+] ZINC000643546319 483407506 /nfs/dbraw/zinc/40/75/06/483407506.db2.gz MLHHDXWKWFHRCV-RBSFLKMASA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000643546320 483407411 /nfs/dbraw/zinc/40/74/11/483407411.db2.gz MLHHDXWKWFHRCV-RRFJBIMHSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000643546320 483407409 /nfs/dbraw/zinc/40/74/09/483407409.db2.gz MLHHDXWKWFHRCV-RRFJBIMHSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000643546321 483407385 /nfs/dbraw/zinc/40/73/85/483407385.db2.gz MLHHDXWKWFHRCV-ZNMIVQPWSA-N 2 1 354.495 -0.124 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000643546321 483407378 /nfs/dbraw/zinc/40/73/78/483407378.db2.gz MLHHDXWKWFHRCV-ZNMIVQPWSA-N 2 1 354.495 -0.124 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[NH2+]1 ZINC000643546453 483407348 /nfs/dbraw/zinc/40/73/48/483407348.db2.gz PBURCSVQBMJXAZ-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[NH2+]1 ZINC000643546453 483407343 /nfs/dbraw/zinc/40/73/43/483407343.db2.gz PBURCSVQBMJXAZ-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH2+]1 ZINC000643546454 483407444 /nfs/dbraw/zinc/40/74/44/483407444.db2.gz PBURCSVQBMJXAZ-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH2+]1 ZINC000643546454 483407439 /nfs/dbraw/zinc/40/74/39/483407439.db2.gz PBURCSVQBMJXAZ-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643546597 483407734 /nfs/dbraw/zinc/40/77/34/483407734.db2.gz RNISDQWEPNRXPP-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643546597 483407732 /nfs/dbraw/zinc/40/77/32/483407732.db2.gz RNISDQWEPNRXPP-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643546598 483407228 /nfs/dbraw/zinc/40/72/28/483407228.db2.gz RNISDQWEPNRXPP-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643546598 483407223 /nfs/dbraw/zinc/40/72/23/483407223.db2.gz RNISDQWEPNRXPP-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643546599 483407500 /nfs/dbraw/zinc/40/75/00/483407500.db2.gz RNISDQWEPNRXPP-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643546599 483407496 /nfs/dbraw/zinc/40/74/96/483407496.db2.gz RNISDQWEPNRXPP-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643546600 483407840 /nfs/dbraw/zinc/40/78/40/483407840.db2.gz RNISDQWEPNRXPP-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643546600 483407837 /nfs/dbraw/zinc/40/78/37/483407837.db2.gz RNISDQWEPNRXPP-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643546897 483407252 /nfs/dbraw/zinc/40/72/52/483407252.db2.gz WNTUVJWFYGEYKK-KBXCAEBGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643546897 483407249 /nfs/dbraw/zinc/40/72/49/483407249.db2.gz WNTUVJWFYGEYKK-KBXCAEBGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643546898 483407871 /nfs/dbraw/zinc/40/78/71/483407871.db2.gz WNTUVJWFYGEYKK-KDOFPFPSSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643546898 483407868 /nfs/dbraw/zinc/40/78/68/483407868.db2.gz WNTUVJWFYGEYKK-KDOFPFPSSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643546899 483407129 /nfs/dbraw/zinc/40/71/29/483407129.db2.gz WNTUVJWFYGEYKK-KSSFIOAISA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643546899 483407127 /nfs/dbraw/zinc/40/71/27/483407127.db2.gz WNTUVJWFYGEYKK-KSSFIOAISA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643546900 483407882 /nfs/dbraw/zinc/40/78/82/483407882.db2.gz WNTUVJWFYGEYKK-RDTXWAMCSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643546900 483407878 /nfs/dbraw/zinc/40/78/78/483407878.db2.gz WNTUVJWFYGEYKK-RDTXWAMCSA-N 2 1 352.479 -0.498 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549849 483409855 /nfs/dbraw/zinc/40/98/55/483409855.db2.gz WMAUBELXVPZNLN-BMFZPTHFSA-N 2 1 350.463 -0.352 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549850 483409561 /nfs/dbraw/zinc/40/95/61/483409561.db2.gz WMAUBELXVPZNLN-FVQBIDKESA-N 2 1 350.463 -0.352 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549851 483409779 /nfs/dbraw/zinc/40/97/79/483409779.db2.gz WMAUBELXVPZNLN-IMJJTQAJSA-N 2 1 350.463 -0.352 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549852 483410125 /nfs/dbraw/zinc/41/01/25/483410125.db2.gz WMAUBELXVPZNLN-NUEKZKHPSA-N 2 1 350.463 -0.352 20 0 FBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000643564402 483415868 /nfs/dbraw/zinc/41/58/68/483415868.db2.gz KOXZYJCOUHVZHD-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000643564402 483415863 /nfs/dbraw/zinc/41/58/63/483415863.db2.gz KOXZYJCOUHVZHD-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643567591 483416746 /nfs/dbraw/zinc/41/67/46/483416746.db2.gz RIUMPDWKPQIDAC-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643567592 483416976 /nfs/dbraw/zinc/41/69/76/483416976.db2.gz RIUMPDWKPQIDAC-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643567593 483416756 /nfs/dbraw/zinc/41/67/56/483416756.db2.gz RIUMPDWKPQIDAC-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643567594 483416544 /nfs/dbraw/zinc/41/65/44/483416544.db2.gz RIUMPDWKPQIDAC-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574472 483417622 /nfs/dbraw/zinc/41/76/22/483417622.db2.gz IPQFOLOHMZLBEH-CVEARBPZSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574473 483417979 /nfs/dbraw/zinc/41/79/79/483417979.db2.gz IPQFOLOHMZLBEH-HOTGVXAUSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574474 483417654 /nfs/dbraw/zinc/41/76/54/483417654.db2.gz IPQFOLOHMZLBEH-HZPDHXFCSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574475 483417938 /nfs/dbraw/zinc/41/79/38/483417938.db2.gz IPQFOLOHMZLBEH-JKSUJKDBSA-N 2 1 351.495 -0.435 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000643577012 483419093 /nfs/dbraw/zinc/41/90/93/483419093.db2.gz ZBGNGIJTWQAQGY-MSOLQXFVSA-N 2 1 373.501 -0.179 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000643577013 483419104 /nfs/dbraw/zinc/41/91/04/483419104.db2.gz ZBGNGIJTWQAQGY-QZTJIDSGSA-N 2 1 373.501 -0.179 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000643577014 483419109 /nfs/dbraw/zinc/41/91/09/483419109.db2.gz ZBGNGIJTWQAQGY-ROUUACIJSA-N 2 1 373.501 -0.179 20 0 FBADMP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000643577015 483418465 /nfs/dbraw/zinc/41/84/65/483418465.db2.gz ZBGNGIJTWQAQGY-ZWKOTPCHSA-N 2 1 373.501 -0.179 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CCO1 ZINC000643577837 483420077 /nfs/dbraw/zinc/42/00/77/483420077.db2.gz YNTVNQKFEFBQFX-CGTJXYLNSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CCO1 ZINC000643577837 483420071 /nfs/dbraw/zinc/42/00/71/483420071.db2.gz YNTVNQKFEFBQFX-CGTJXYLNSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CCO1 ZINC000643577838 483420276 /nfs/dbraw/zinc/42/02/76/483420276.db2.gz YNTVNQKFEFBQFX-JQHSSLGASA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CCO1 ZINC000643577838 483420272 /nfs/dbraw/zinc/42/02/72/483420272.db2.gz YNTVNQKFEFBQFX-JQHSSLGASA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643577839 483419995 /nfs/dbraw/zinc/41/99/95/483419995.db2.gz YNTVNQKFEFBQFX-RYQLBKOJSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643577839 483419991 /nfs/dbraw/zinc/41/99/91/483419991.db2.gz YNTVNQKFEFBQFX-RYQLBKOJSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643577840 483419784 /nfs/dbraw/zinc/41/97/84/483419784.db2.gz YNTVNQKFEFBQFX-SZMVWBNQSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643577840 483419780 /nfs/dbraw/zinc/41/97/80/483419780.db2.gz YNTVNQKFEFBQFX-SZMVWBNQSA-N 2 1 374.485 -0.054 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580980 483419828 /nfs/dbraw/zinc/41/98/28/483419828.db2.gz LLNYKDAMWMRWEZ-CALCHBBNSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643585566 483421061 /nfs/dbraw/zinc/42/10/61/483421061.db2.gz FLUSVCDLGCULRF-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643585566 483421056 /nfs/dbraw/zinc/42/10/56/483421056.db2.gz FLUSVCDLGCULRF-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643585568 483420759 /nfs/dbraw/zinc/42/07/59/483420759.db2.gz FLUSVCDLGCULRF-HOTGVXAUSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643585568 483420755 /nfs/dbraw/zinc/42/07/55/483420755.db2.gz FLUSVCDLGCULRF-HOTGVXAUSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643585570 483420909 /nfs/dbraw/zinc/42/09/09/483420909.db2.gz FLUSVCDLGCULRF-HZPDHXFCSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@H]1[NH3+] ZINC000643585570 483420906 /nfs/dbraw/zinc/42/09/06/483420906.db2.gz FLUSVCDLGCULRF-HZPDHXFCSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643585571 483420999 /nfs/dbraw/zinc/42/09/99/483420999.db2.gz FLUSVCDLGCULRF-JKSUJKDBSA-N 2 1 355.527 -0.086 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@H]1[NH3+] ZINC000643585571 483420995 /nfs/dbraw/zinc/42/09/95/483420995.db2.gz FLUSVCDLGCULRF-JKSUJKDBSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000643585730 483420730 /nfs/dbraw/zinc/42/07/30/483420730.db2.gz NHZLVFRGPLNZNU-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000643585731 483421656 /nfs/dbraw/zinc/42/16/56/483421656.db2.gz NHZLVFRGPLNZNU-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000643585732 483421544 /nfs/dbraw/zinc/42/15/44/483421544.db2.gz NHZLVFRGPLNZNU-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000643585733 483421518 /nfs/dbraw/zinc/42/15/18/483421518.db2.gz NHZLVFRGPLNZNU-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1CCO ZINC000643587172 483421716 /nfs/dbraw/zinc/42/17/16/483421716.db2.gz KFCLPEIKWJTFDR-KKUMJFAQSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1CCO ZINC000643587172 483421712 /nfs/dbraw/zinc/42/17/12/483421712.db2.gz KFCLPEIKWJTFDR-KKUMJFAQSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@H+]1CCO ZINC000643587173 483421426 /nfs/dbraw/zinc/42/14/26/483421426.db2.gz KFCLPEIKWJTFDR-RRFJBIMHSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CCO ZINC000643587173 483421422 /nfs/dbraw/zinc/42/14/22/483421422.db2.gz KFCLPEIKWJTFDR-RRFJBIMHSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@H+]1CCO ZINC000643587174 483421696 /nfs/dbraw/zinc/42/16/96/483421696.db2.gz KFCLPEIKWJTFDR-SOUVJXGZSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@@H+]1CCO ZINC000643587174 483421691 /nfs/dbraw/zinc/42/16/91/483421691.db2.gz KFCLPEIKWJTFDR-SOUVJXGZSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1CCO ZINC000643587175 483421371 /nfs/dbraw/zinc/42/13/71/483421371.db2.gz KFCLPEIKWJTFDR-ZNMIVQPWSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CCO ZINC000643587175 483421369 /nfs/dbraw/zinc/42/13/69/483421369.db2.gz KFCLPEIKWJTFDR-ZNMIVQPWSA-N 2 1 352.479 -0.513 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1CCO ZINC000643589822 483422011 /nfs/dbraw/zinc/42/20/11/483422011.db2.gz KGYWCYJBVKCNPM-UHFFFAOYSA-N 2 1 366.506 -0.108 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1CCO ZINC000643589822 483422009 /nfs/dbraw/zinc/42/20/09/483422009.db2.gz KGYWCYJBVKCNPM-UHFFFAOYSA-N 2 1 366.506 -0.108 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)CC[NH+](C)C ZINC000643590287 483422306 /nfs/dbraw/zinc/42/23/06/483422306.db2.gz JYNGYJJFIYHBQN-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643590287 483422301 /nfs/dbraw/zinc/42/23/01/483422301.db2.gz JYNGYJJFIYHBQN-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)CC[NH+](C)C ZINC000643590288 483422403 /nfs/dbraw/zinc/42/24/03/483422403.db2.gz JYNGYJJFIYHBQN-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643590288 483422399 /nfs/dbraw/zinc/42/23/99/483422399.db2.gz JYNGYJJFIYHBQN-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)CC[NH+](C)C ZINC000643590289 483422946 /nfs/dbraw/zinc/42/29/46/483422946.db2.gz JYNGYJJFIYHBQN-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643590289 483422945 /nfs/dbraw/zinc/42/29/45/483422945.db2.gz JYNGYJJFIYHBQN-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)CC[NH+](C)C ZINC000643590290 483422091 /nfs/dbraw/zinc/42/20/91/483422091.db2.gz JYNGYJJFIYHBQN-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643590290 483422088 /nfs/dbraw/zinc/42/20/88/483422088.db2.gz JYNGYJJFIYHBQN-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCO ZINC000643590597 483422459 /nfs/dbraw/zinc/42/24/59/483422459.db2.gz YOOXDSFBZSOPGK-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCO ZINC000643590597 483422453 /nfs/dbraw/zinc/42/24/53/483422453.db2.gz YOOXDSFBZSOPGK-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCO ZINC000643590598 483422529 /nfs/dbraw/zinc/42/25/29/483422529.db2.gz YOOXDSFBZSOPGK-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCO ZINC000643590598 483422519 /nfs/dbraw/zinc/42/25/19/483422519.db2.gz YOOXDSFBZSOPGK-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591227 483423502 /nfs/dbraw/zinc/42/35/02/483423502.db2.gz BFCYLFRWJGREDZ-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591228 483424408 /nfs/dbraw/zinc/42/44/08/483424408.db2.gz BFCYLFRWJGREDZ-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591229 483423956 /nfs/dbraw/zinc/42/39/56/483423956.db2.gz BFCYLFRWJGREDZ-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591230 483423827 /nfs/dbraw/zinc/42/38/27/483423827.db2.gz BFCYLFRWJGREDZ-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000643591415 483423466 /nfs/dbraw/zinc/42/34/66/483423466.db2.gz HWZVMZWCZQLERR-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000643591415 483423459 /nfs/dbraw/zinc/42/34/59/483423459.db2.gz HWZVMZWCZQLERR-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000643591416 483423349 /nfs/dbraw/zinc/42/33/49/483423349.db2.gz HWZVMZWCZQLERR-ZNMIVQPWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000643591416 483423343 /nfs/dbraw/zinc/42/33/43/483423343.db2.gz HWZVMZWCZQLERR-ZNMIVQPWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591579 483425240 /nfs/dbraw/zinc/42/52/40/483425240.db2.gz PGUCGUUXNWIVOP-IKGGRYGDSA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591580 483425587 /nfs/dbraw/zinc/42/55/87/483425587.db2.gz PGUCGUUXNWIVOP-IXDOHACOSA-N 2 1 363.506 -0.422 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643591835 483425187 /nfs/dbraw/zinc/42/51/87/483425187.db2.gz XYUQUUNWIHNBHJ-BBWFWOEESA-N 2 1 365.522 -0.047 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643591836 483425516 /nfs/dbraw/zinc/42/55/16/483425516.db2.gz XYUQUUNWIHNBHJ-GVDBMIGSSA-N 2 1 365.522 -0.047 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643591837 483425374 /nfs/dbraw/zinc/42/53/74/483425374.db2.gz XYUQUUNWIHNBHJ-ULQDDVLXSA-N 2 1 365.522 -0.047 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643591839 483424740 /nfs/dbraw/zinc/42/47/40/483424740.db2.gz XYUQUUNWIHNBHJ-YESZJQIVSA-N 2 1 365.522 -0.047 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@H+]1CCO ZINC000643592170 483424966 /nfs/dbraw/zinc/42/49/66/483424966.db2.gz HVDJDWIFGZYXBY-UHFFFAOYSA-N 2 1 362.474 -0.111 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@@H+]1CCO ZINC000643592170 483424960 /nfs/dbraw/zinc/42/49/60/483424960.db2.gz HVDJDWIFGZYXBY-UHFFFAOYSA-N 2 1 362.474 -0.111 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[NH2+]1 ZINC000643592551 483426559 /nfs/dbraw/zinc/42/65/59/483426559.db2.gz ZAIIZRVDXYLRSF-MRXNPFEDSA-N 2 1 355.527 -0.215 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH2+]1 ZINC000643592551 483426554 /nfs/dbraw/zinc/42/65/54/483426554.db2.gz ZAIIZRVDXYLRSF-MRXNPFEDSA-N 2 1 355.527 -0.215 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000643592565 483426042 /nfs/dbraw/zinc/42/60/42/483426042.db2.gz NCFIMTFUZFRPHR-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000643592565 483426032 /nfs/dbraw/zinc/42/60/32/483426032.db2.gz NCFIMTFUZFRPHR-UHFFFAOYSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643592744 483426789 /nfs/dbraw/zinc/42/67/89/483426789.db2.gz GMOYUCIAKUVEJK-DLBZAZTESA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643592747 483426913 /nfs/dbraw/zinc/42/69/13/483426913.db2.gz GMOYUCIAKUVEJK-IAGOWNOFSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643592749 483426325 /nfs/dbraw/zinc/42/63/25/483426325.db2.gz GMOYUCIAKUVEJK-IRXDYDNUSA-N 2 1 365.522 -0.175 20 0 FBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643592751 483426983 /nfs/dbraw/zinc/42/69/83/483426983.db2.gz GMOYUCIAKUVEJK-SJORKVTESA-N 2 1 365.522 -0.175 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593281 483428081 /nfs/dbraw/zinc/42/80/81/483428081.db2.gz XQBFNTPVXWXDAF-BRWVUGGUSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H]1C[NH3+] ZINC000643593282 483428466 /nfs/dbraw/zinc/42/84/66/483428466.db2.gz XQBFNTPVXWXDAF-IKGGRYGDSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593283 483427672 /nfs/dbraw/zinc/42/76/72/483427672.db2.gz XQBFNTPVXWXDAF-IXDOHACOSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@H]1C[NH3+] ZINC000643593284 483427655 /nfs/dbraw/zinc/42/76/55/483427655.db2.gz XQBFNTPVXWXDAF-ZACQAIPSSA-N 2 1 365.522 -0.189 20 0 FBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000643593388 483428202 /nfs/dbraw/zinc/42/82/02/483428202.db2.gz ZUIPPNKYLQRMRY-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000643593388 483428199 /nfs/dbraw/zinc/42/81/99/483428199.db2.gz ZUIPPNKYLQRMRY-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594166 483429597 /nfs/dbraw/zinc/42/95/97/483429597.db2.gz DXHBGJXAUNVYEQ-OAGGEKHMSA-N 2 1 362.474 -0.480 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594167 483429631 /nfs/dbraw/zinc/42/96/31/483429631.db2.gz DXHBGJXAUNVYEQ-XHSDSOJGSA-N 2 1 362.474 -0.480 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225572 484424514 /nfs/dbraw/zinc/42/45/14/484424514.db2.gz CUBVNKLCHXLRLB-LTIDMASMSA-N 2 1 374.489 -0.242 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225575 484423430 /nfs/dbraw/zinc/42/34/30/484423430.db2.gz CUBVNKLCHXLRLB-LUKYLMHMSA-N 2 1 374.489 -0.242 20 0 FBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225577 484423937 /nfs/dbraw/zinc/42/39/37/484423937.db2.gz CUBVNKLCHXLRLB-VVLHAWIVSA-N 2 1 374.489 -0.242 20 0 FBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225579 484423631 /nfs/dbraw/zinc/42/36/31/484423631.db2.gz CUBVNKLCHXLRLB-WCXIOVBPSA-N 2 1 374.489 -0.242 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225637 484423453 /nfs/dbraw/zinc/42/34/53/484423453.db2.gz OXPCBRNVFWPLLR-JKSUJKDBSA-N 2 1 360.462 -0.630 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000644225643 484423968 /nfs/dbraw/zinc/42/39/68/484423968.db2.gz RLQIPRLPHIKFHS-JKSUJKDBSA-N 2 1 362.478 -0.384 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644225696 484424087 /nfs/dbraw/zinc/42/40/87/484424087.db2.gz IDFUCLNZISYOBC-HRCADAONSA-N 2 1 360.462 -0.726 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644225697 484423493 /nfs/dbraw/zinc/42/34/93/484423493.db2.gz IDFUCLNZISYOBC-OWCLPIDISA-N 2 1 360.462 -0.726 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)C[C@H]2[NH3+])cn1 ZINC000644226388 484423483 /nfs/dbraw/zinc/42/34/83/484423483.db2.gz GLOXITBCQPRRIS-FCEWJHQRSA-N 2 1 374.489 -0.383 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)C[C@H]2[NH3+])cn1 ZINC000644226389 484424318 /nfs/dbraw/zinc/42/43/18/484424318.db2.gz GLOXITBCQPRRIS-FRQCXROJSA-N 2 1 374.489 -0.383 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000644226391 484424154 /nfs/dbraw/zinc/42/41/54/484424154.db2.gz GZIKXZCVUUMZEJ-KBPBESRZSA-N 2 1 356.467 -0.870 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000644226392 484424261 /nfs/dbraw/zinc/42/42/61/484424261.db2.gz GZIKXZCVUUMZEJ-KGLIPLIRSA-N 2 1 356.467 -0.870 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000644226393 484423852 /nfs/dbraw/zinc/42/38/52/484423852.db2.gz GZIKXZCVUUMZEJ-UONOGXRCSA-N 2 1 356.467 -0.870 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000644226394 484423763 /nfs/dbraw/zinc/42/37/63/484423763.db2.gz GZIKXZCVUUMZEJ-ZIAGYGMSSA-N 2 1 356.467 -0.870 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000644226397 484423674 /nfs/dbraw/zinc/42/36/74/484423674.db2.gz HIJBMEXDJUKKOR-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000644226398 484424271 /nfs/dbraw/zinc/42/42/71/484424271.db2.gz HIJBMEXDJUKKOR-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000644226399 484423803 /nfs/dbraw/zinc/42/38/03/484423803.db2.gz HIJBMEXDJUKKOR-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000644226401 484423658 /nfs/dbraw/zinc/42/36/58/484423658.db2.gz HIJBMEXDJUKKOR-LSDHHAIUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644226658 484423819 /nfs/dbraw/zinc/42/38/19/484423819.db2.gz SFXZBIIESQEGEF-LTIDMASMSA-N 2 1 374.489 -0.242 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644563432 483423410 /nfs/dbraw/zinc/42/34/10/483423410.db2.gz MDJNCKWXUBLQTL-AWEZNQCLSA-N 2 1 374.441 -0.603 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644563433 483424106 /nfs/dbraw/zinc/42/41/06/483424106.db2.gz MDJNCKWXUBLQTL-CQSZACIVSA-N 2 1 374.441 -0.603 20 0 FBADMP COc1ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612710 483424703 /nfs/dbraw/zinc/42/47/03/483424703.db2.gz CANMEDQQUDKGMD-AWEZNQCLSA-N 2 1 357.476 -0.070 20 0 FBADMP COc1ccc(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612710 483424699 /nfs/dbraw/zinc/42/46/99/483424699.db2.gz CANMEDQQUDKGMD-AWEZNQCLSA-N 2 1 357.476 -0.070 20 0 FBADMP COc1ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612712 483424673 /nfs/dbraw/zinc/42/46/73/483424673.db2.gz CANMEDQQUDKGMD-CQSZACIVSA-N 2 1 357.476 -0.070 20 0 FBADMP COc1ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612712 483424670 /nfs/dbraw/zinc/42/46/70/483424670.db2.gz CANMEDQQUDKGMD-CQSZACIVSA-N 2 1 357.476 -0.070 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000644917650 484052685 /nfs/dbraw/zinc/05/26/85/484052685.db2.gz NRCMNTAEDSPYAL-LSDHHAIUSA-N 2 1 352.479 -0.282 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000644917650 484052680 /nfs/dbraw/zinc/05/26/80/484052680.db2.gz NRCMNTAEDSPYAL-LSDHHAIUSA-N 2 1 352.479 -0.282 20 0 FBADMP COc1cc(C[NH+]2C[C@H](O)C[C@H](O)C2)cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000644996105 484141294 /nfs/dbraw/zinc/14/12/94/484141294.db2.gz RJEJBWUCNZQIHD-USTZCAOPSA-N 2 1 366.458 -0.450 20 0 FBADMP COc1cc(C[NH+]2C[C@H](O)C[C@H](O)C2)cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000644996105 484141285 /nfs/dbraw/zinc/14/12/85/484141285.db2.gz RJEJBWUCNZQIHD-USTZCAOPSA-N 2 1 366.458 -0.450 20 0 FBADMP COc1cc(C[NH+]2C[C@H](O)C[C@H]2CO)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000645000965 484143760 /nfs/dbraw/zinc/14/37/60/484143760.db2.gz AJXXPVQXVCIHMM-WNRNVDISSA-N 2 1 366.458 -0.450 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064530 484167382 /nfs/dbraw/zinc/16/73/82/484167382.db2.gz LAOIIQDDMATSPD-DZUCGIPZSA-N 2 1 366.506 -0.063 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064532 484167525 /nfs/dbraw/zinc/16/75/25/484167525.db2.gz LAOIIQDDMATSPD-LLLHUVSDSA-N 2 1 366.506 -0.063 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064534 484166640 /nfs/dbraw/zinc/16/66/40/484166640.db2.gz LAOIIQDDMATSPD-SVGFKBNWSA-N 2 1 366.506 -0.063 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064536 484166713 /nfs/dbraw/zinc/16/67/13/484166713.db2.gz LAOIIQDDMATSPD-XBVQOTNRSA-N 2 1 366.506 -0.063 20 0 FBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000645139745 484187763 /nfs/dbraw/zinc/18/77/63/484187763.db2.gz QRHAWMCUPDSMIX-INIZCTEOSA-N 2 1 368.526 -0.225 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000645139747 484188137 /nfs/dbraw/zinc/18/81/37/484188137.db2.gz QRHAWMCUPDSMIX-MRXNPFEDSA-N 2 1 368.526 -0.225 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645159701 484197899 /nfs/dbraw/zinc/19/78/99/484197899.db2.gz KKJCVKGBSIBRPV-UHFFFAOYSA-N 2 1 367.494 -0.343 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645232356 484244481 /nfs/dbraw/zinc/24/44/81/484244481.db2.gz UUZZXNMLPZXZGM-CABCVRRESA-N 2 1 355.483 -0.141 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645232357 484244603 /nfs/dbraw/zinc/24/46/03/484244603.db2.gz UUZZXNMLPZXZGM-GJZGRUSLSA-N 2 1 355.483 -0.141 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645232358 484244198 /nfs/dbraw/zinc/24/41/98/484244198.db2.gz UUZZXNMLPZXZGM-HUUCEWRRSA-N 2 1 355.483 -0.141 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645232359 484243636 /nfs/dbraw/zinc/24/36/36/484243636.db2.gz UUZZXNMLPZXZGM-LSDHHAIUSA-N 2 1 355.483 -0.141 20 0 FBADMP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000645262434 483500709 /nfs/dbraw/zinc/50/07/09/483500709.db2.gz AUVFQBDMVMYIFX-CVEARBPZSA-N 2 1 368.526 -0.369 20 0 FBADMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000645262435 483500134 /nfs/dbraw/zinc/50/01/34/483500134.db2.gz AUVFQBDMVMYIFX-HOTGVXAUSA-N 2 1 368.526 -0.369 20 0 FBADMP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000645262436 483500624 /nfs/dbraw/zinc/50/06/24/483500624.db2.gz AUVFQBDMVMYIFX-HZPDHXFCSA-N 2 1 368.526 -0.369 20 0 FBADMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000645262437 483500893 /nfs/dbraw/zinc/50/08/93/483500893.db2.gz AUVFQBDMVMYIFX-JKSUJKDBSA-N 2 1 368.526 -0.369 20 0 FBADMP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+]1CCOCC1 ZINC000645264114 483556390 /nfs/dbraw/zinc/55/63/90/483556390.db2.gz ZVIXJJARRSSGRT-CABCVRRESA-N 2 1 355.483 -0.284 20 0 FBADMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+]1CCOCC1 ZINC000645264115 483556826 /nfs/dbraw/zinc/55/68/26/483556826.db2.gz ZVIXJJARRSSGRT-GJZGRUSLSA-N 2 1 355.483 -0.284 20 0 FBADMP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC000645264116 483556656 /nfs/dbraw/zinc/55/66/56/483556656.db2.gz ZVIXJJARRSSGRT-HUUCEWRRSA-N 2 1 355.483 -0.284 20 0 FBADMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC000645264117 483556508 /nfs/dbraw/zinc/55/65/08/483556508.db2.gz ZVIXJJARRSSGRT-LSDHHAIUSA-N 2 1 355.483 -0.284 20 0 FBADMP C[C@H](CN1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645265186 483581492 /nfs/dbraw/zinc/58/14/92/483581492.db2.gz HKEBVLXHEOMVOB-HUUCEWRRSA-N 2 1 354.499 -0.616 20 0 FBADMP C[C@@H](CN1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645265189 483581747 /nfs/dbraw/zinc/58/17/47/483581747.db2.gz HKEBVLXHEOMVOB-LSDHHAIUSA-N 2 1 354.499 -0.616 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645328061 483811452 /nfs/dbraw/zinc/81/14/52/483811452.db2.gz IMYBWZMEAKUISZ-CVEARBPZSA-N 2 1 368.526 -0.226 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645328066 483811259 /nfs/dbraw/zinc/81/12/59/483811259.db2.gz IMYBWZMEAKUISZ-HOTGVXAUSA-N 2 1 368.526 -0.226 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645328068 483811412 /nfs/dbraw/zinc/81/14/12/483811412.db2.gz IMYBWZMEAKUISZ-HZPDHXFCSA-N 2 1 368.526 -0.226 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645328070 483811384 /nfs/dbraw/zinc/81/13/84/483811384.db2.gz IMYBWZMEAKUISZ-JKSUJKDBSA-N 2 1 368.526 -0.226 20 0 FBADMP O=C(COC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645335486 483813211 /nfs/dbraw/zinc/81/32/11/483813211.db2.gz HXMBTHWEPYWQRR-UHFFFAOYSA-N 2 1 362.478 -0.127 20 0 FBADMP O=C(C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000645366462 483882176 /nfs/dbraw/zinc/88/21/76/483882176.db2.gz SGGUMNIAECFKHH-HNNXBMFYSA-N 2 1 365.478 -0.989 20 0 FBADMP O=C(C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000645366462 483882174 /nfs/dbraw/zinc/88/21/74/483882174.db2.gz SGGUMNIAECFKHH-HNNXBMFYSA-N 2 1 365.478 -0.989 20 0 FBADMP O=C(C[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000645366474 483882236 /nfs/dbraw/zinc/88/22/36/483882236.db2.gz SGGUMNIAECFKHH-OAHLLOKOSA-N 2 1 365.478 -0.989 20 0 FBADMP O=C(C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000645366474 483882234 /nfs/dbraw/zinc/88/22/34/483882234.db2.gz SGGUMNIAECFKHH-OAHLLOKOSA-N 2 1 365.478 -0.989 20 0 FBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000645369963 483885808 /nfs/dbraw/zinc/88/58/08/483885808.db2.gz MSJIROAJYBGVTR-HNNXBMFYSA-N 2 1 368.526 -0.226 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000645369965 483885546 /nfs/dbraw/zinc/88/55/46/483885546.db2.gz MSJIROAJYBGVTR-OAHLLOKOSA-N 2 1 368.526 -0.226 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645481800 484157690 /nfs/dbraw/zinc/15/76/90/484157690.db2.gz WAKQQJJMIMVAAD-HNNXBMFYSA-N 2 1 367.494 -0.649 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645481806 484157647 /nfs/dbraw/zinc/15/76/47/484157647.db2.gz WAKQQJJMIMVAAD-OAHLLOKOSA-N 2 1 367.494 -0.649 20 0 FBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625282 484149516 /nfs/dbraw/zinc/14/95/16/484149516.db2.gz OAHNUSXKPSTBQV-DZGCQCFKSA-N 2 1 360.462 0.251 20 0 FBADMP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000645625283 484149419 /nfs/dbraw/zinc/14/94/19/484149419.db2.gz OAHNUSXKPSTBQV-HIFRSBDPSA-N 2 1 360.462 0.251 20 0 FBADMP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625284 484150435 /nfs/dbraw/zinc/15/04/35/484150435.db2.gz OAHNUSXKPSTBQV-UKRRQHHQSA-N 2 1 360.462 0.251 20 0 FBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000645625285 484150474 /nfs/dbraw/zinc/15/04/74/484150474.db2.gz OAHNUSXKPSTBQV-ZFWWWQNUSA-N 2 1 360.462 0.251 20 0 FBADMP [NH3+]CCOCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000645640253 484502591 /nfs/dbraw/zinc/50/25/91/484502591.db2.gz VDYNIRPSIXXPGN-UHFFFAOYSA-N 2 1 364.446 -0.061 20 0 FBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000645817423 484130810 /nfs/dbraw/zinc/13/08/10/484130810.db2.gz XGXVOKAQEJSRMZ-KRWDZBQOSA-N 2 1 374.489 -0.422 20 0 FBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000645817424 484130984 /nfs/dbraw/zinc/13/09/84/484130984.db2.gz XGXVOKAQEJSRMZ-QGZVFWFLSA-N 2 1 374.489 -0.422 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977703 484620593 /nfs/dbraw/zinc/62/05/93/484620593.db2.gz JGKVPYRDFFDCIW-GDBMZVCRSA-N 2 1 351.495 -0.471 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977703 484620584 /nfs/dbraw/zinc/62/05/84/484620584.db2.gz JGKVPYRDFFDCIW-GDBMZVCRSA-N 2 1 351.495 -0.471 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977704 484622920 /nfs/dbraw/zinc/62/29/20/484622920.db2.gz JGKVPYRDFFDCIW-GOEBONIOSA-N 2 1 351.495 -0.471 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977704 484622917 /nfs/dbraw/zinc/62/29/17/484622917.db2.gz JGKVPYRDFFDCIW-GOEBONIOSA-N 2 1 351.495 -0.471 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977705 484623099 /nfs/dbraw/zinc/62/30/99/484623099.db2.gz JGKVPYRDFFDCIW-HOCLYGCPSA-N 2 1 351.495 -0.471 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977705 484623094 /nfs/dbraw/zinc/62/30/94/484623094.db2.gz JGKVPYRDFFDCIW-HOCLYGCPSA-N 2 1 351.495 -0.471 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977706 484622654 /nfs/dbraw/zinc/62/26/54/484622654.db2.gz JGKVPYRDFFDCIW-ZBFHGGJFSA-N 2 1 351.495 -0.471 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977706 484622649 /nfs/dbraw/zinc/62/26/49/484622649.db2.gz JGKVPYRDFFDCIW-ZBFHGGJFSA-N 2 1 351.495 -0.471 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978168 484622527 /nfs/dbraw/zinc/62/25/27/484622527.db2.gz WAXPJWOWOHSWIC-CABCVRRESA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978168 484622524 /nfs/dbraw/zinc/62/25/24/484622524.db2.gz WAXPJWOWOHSWIC-CABCVRRESA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978169 484623120 /nfs/dbraw/zinc/62/31/20/484623120.db2.gz WAXPJWOWOHSWIC-GJZGRUSLSA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978169 484623115 /nfs/dbraw/zinc/62/31/15/484623115.db2.gz WAXPJWOWOHSWIC-GJZGRUSLSA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978170 484622083 /nfs/dbraw/zinc/62/20/83/484622083.db2.gz WAXPJWOWOHSWIC-HUUCEWRRSA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978170 484622076 /nfs/dbraw/zinc/62/20/76/484622076.db2.gz WAXPJWOWOHSWIC-HUUCEWRRSA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978171 484622963 /nfs/dbraw/zinc/62/29/63/484622963.db2.gz WAXPJWOWOHSWIC-LSDHHAIUSA-N 2 1 361.494 -0.072 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978171 484622959 /nfs/dbraw/zinc/62/29/59/484622959.db2.gz WAXPJWOWOHSWIC-LSDHHAIUSA-N 2 1 361.494 -0.072 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002961 484659817 /nfs/dbraw/zinc/65/98/17/484659817.db2.gz LMEYEUHRFSTPRZ-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002962 484659650 /nfs/dbraw/zinc/65/96/50/484659650.db2.gz LMEYEUHRFSTPRZ-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002963 484660573 /nfs/dbraw/zinc/66/05/73/484660573.db2.gz LMEYEUHRFSTPRZ-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002964 484660621 /nfs/dbraw/zinc/66/06/21/484660621.db2.gz LMEYEUHRFSTPRZ-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003275 484660647 /nfs/dbraw/zinc/66/06/47/484660647.db2.gz ZEUGPCQJJCAZQP-CVEARBPZSA-N 2 1 361.494 -0.118 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003276 484660116 /nfs/dbraw/zinc/66/01/16/484660116.db2.gz ZEUGPCQJJCAZQP-HOTGVXAUSA-N 2 1 361.494 -0.118 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003277 484659803 /nfs/dbraw/zinc/65/98/03/484659803.db2.gz ZEUGPCQJJCAZQP-HZPDHXFCSA-N 2 1 361.494 -0.118 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003278 484659926 /nfs/dbraw/zinc/65/99/26/484659926.db2.gz ZEUGPCQJJCAZQP-JKSUJKDBSA-N 2 1 361.494 -0.118 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646009618 484668722 /nfs/dbraw/zinc/66/87/22/484668722.db2.gz XFXLJOZDJLOMNP-CABCVRRESA-N 2 1 362.478 -0.377 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646009619 484668505 /nfs/dbraw/zinc/66/85/05/484668505.db2.gz XFXLJOZDJLOMNP-GJZGRUSLSA-N 2 1 362.478 -0.377 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646009620 484668318 /nfs/dbraw/zinc/66/83/18/484668318.db2.gz XFXLJOZDJLOMNP-HUUCEWRRSA-N 2 1 362.478 -0.377 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646009621 484668041 /nfs/dbraw/zinc/66/80/41/484668041.db2.gz XFXLJOZDJLOMNP-LSDHHAIUSA-N 2 1 362.478 -0.377 20 0 FBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000646116362 484915595 /nfs/dbraw/zinc/91/55/95/484915595.db2.gz GDUHGOBJBKHGDY-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000646116363 484915291 /nfs/dbraw/zinc/91/52/91/484915291.db2.gz GDUHGOBJBKHGDY-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000646116364 484914816 /nfs/dbraw/zinc/91/48/16/484914816.db2.gz GDUHGOBJBKHGDY-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000646116365 484915544 /nfs/dbraw/zinc/91/55/44/484915544.db2.gz GDUHGOBJBKHGDY-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](C)C1 ZINC000646765885 484300420 /nfs/dbraw/zinc/30/04/20/484300420.db2.gz OOKLRZNVSMDMTQ-AWEZNQCLSA-N 2 1 350.467 0.326 20 0 FBADMP CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000646765886 484300392 /nfs/dbraw/zinc/30/03/92/484300392.db2.gz OOKLRZNVSMDMTQ-CQSZACIVSA-N 2 1 350.467 0.326 20 0 FBADMP C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919631 483528209 /nfs/dbraw/zinc/52/82/09/483528209.db2.gz KCDJADFYNJBDKP-BBWFWOEESA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919631 483528206 /nfs/dbraw/zinc/52/82/06/483528206.db2.gz KCDJADFYNJBDKP-BBWFWOEESA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919632 483528444 /nfs/dbraw/zinc/52/84/44/483528444.db2.gz KCDJADFYNJBDKP-GVDBMIGSSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919632 483528439 /nfs/dbraw/zinc/52/84/39/483528439.db2.gz KCDJADFYNJBDKP-GVDBMIGSSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000646919633 483528287 /nfs/dbraw/zinc/52/82/87/483528287.db2.gz KCDJADFYNJBDKP-ULQDDVLXSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000646919633 483528283 /nfs/dbraw/zinc/52/82/83/483528283.db2.gz KCDJADFYNJBDKP-ULQDDVLXSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000646919634 483528040 /nfs/dbraw/zinc/52/80/40/483528040.db2.gz KCDJADFYNJBDKP-YESZJQIVSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000646919634 483528026 /nfs/dbraw/zinc/52/80/26/483528026.db2.gz KCDJADFYNJBDKP-YESZJQIVSA-N 2 1 364.490 -0.138 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)COCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000646928418 483529676 /nfs/dbraw/zinc/52/96/76/483529676.db2.gz YCINYKDQLGQBAL-FZKCQIBNSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)COCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000646928418 483529671 /nfs/dbraw/zinc/52/96/71/483529671.db2.gz YCINYKDQLGQBAL-FZKCQIBNSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000646928418 483529664 /nfs/dbraw/zinc/52/96/64/483529664.db2.gz YCINYKDQLGQBAL-FZKCQIBNSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)COCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000646928421 483529547 /nfs/dbraw/zinc/52/95/47/483529547.db2.gz YCINYKDQLGQBAL-GEEKYZPCSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)COCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000646928421 483529537 /nfs/dbraw/zinc/52/95/37/483529537.db2.gz YCINYKDQLGQBAL-GEEKYZPCSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646928421 483529534 /nfs/dbraw/zinc/52/95/34/483529534.db2.gz YCINYKDQLGQBAL-GEEKYZPCSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)COCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000646928424 483529317 /nfs/dbraw/zinc/52/93/17/483529317.db2.gz YCINYKDQLGQBAL-QKPAOTATSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)COCC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000646928424 483529309 /nfs/dbraw/zinc/52/93/09/483529309.db2.gz YCINYKDQLGQBAL-QKPAOTATSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000646928424 483529300 /nfs/dbraw/zinc/52/93/00/483529300.db2.gz YCINYKDQLGQBAL-QKPAOTATSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000646928461 483530357 /nfs/dbraw/zinc/53/03/57/483530357.db2.gz YCINYKDQLGQBAL-SYMSYNOKSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000646928461 483530352 /nfs/dbraw/zinc/53/03/52/483530352.db2.gz YCINYKDQLGQBAL-SYMSYNOKSA-N 2 1 350.463 -0.672 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)COCC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646928461 483530345 /nfs/dbraw/zinc/53/03/45/483530345.db2.gz YCINYKDQLGQBAL-SYMSYNOKSA-N 2 1 350.463 -0.672 20 0 FBADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646981698 483546405 /nfs/dbraw/zinc/54/64/05/483546405.db2.gz CXKFKSFVUZZUHM-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646981698 483546403 /nfs/dbraw/zinc/54/64/03/483546403.db2.gz CXKFKSFVUZZUHM-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646981699 483546480 /nfs/dbraw/zinc/54/64/80/483546480.db2.gz CXKFKSFVUZZUHM-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646981699 483546477 /nfs/dbraw/zinc/54/64/77/483546477.db2.gz CXKFKSFVUZZUHM-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646987620 483550892 /nfs/dbraw/zinc/55/08/92/483550892.db2.gz FXZIIIPSEVPFAT-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646987620 483550889 /nfs/dbraw/zinc/55/08/89/483550889.db2.gz FXZIIIPSEVPFAT-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646987621 483550198 /nfs/dbraw/zinc/55/01/98/483550198.db2.gz FXZIIIPSEVPFAT-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646987621 483550177 /nfs/dbraw/zinc/55/01/77/483550177.db2.gz FXZIIIPSEVPFAT-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646997130 483553237 /nfs/dbraw/zinc/55/32/37/483553237.db2.gz QQXATKJQGLSOMD-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646997131 483553461 /nfs/dbraw/zinc/55/34/61/483553461.db2.gz QQXATKJQGLSOMD-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646997132 483553338 /nfs/dbraw/zinc/55/33/38/483553338.db2.gz QQXATKJQGLSOMD-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646997133 483553148 /nfs/dbraw/zinc/55/31/48/483553148.db2.gz QQXATKJQGLSOMD-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP O=C(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082003 483573607 /nfs/dbraw/zinc/57/36/07/483573607.db2.gz YHJVSGRUEDCKTH-INIZCTEOSA-N 2 1 351.495 -0.515 20 0 FBADMP O=C(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082004 483573071 /nfs/dbraw/zinc/57/30/71/483573071.db2.gz YHJVSGRUEDCKTH-MRXNPFEDSA-N 2 1 351.495 -0.515 20 0 FBADMP C[C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647092165 483574595 /nfs/dbraw/zinc/57/45/95/483574595.db2.gz NBPZAQLCVPPJJL-KBPBESRZSA-N 2 1 358.508 -0.542 20 0 FBADMP C[C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647092166 483575294 /nfs/dbraw/zinc/57/52/94/483575294.db2.gz NBPZAQLCVPPJJL-KGLIPLIRSA-N 2 1 358.508 -0.542 20 0 FBADMP C[C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647092167 483575319 /nfs/dbraw/zinc/57/53/19/483575319.db2.gz NBPZAQLCVPPJJL-UONOGXRCSA-N 2 1 358.508 -0.542 20 0 FBADMP C[C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647092168 483574423 /nfs/dbraw/zinc/57/44/23/483574423.db2.gz NBPZAQLCVPPJJL-ZIAGYGMSSA-N 2 1 358.508 -0.542 20 0 FBADMP [NH3+][C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000647092180 483575159 /nfs/dbraw/zinc/57/51/59/483575159.db2.gz QEMDFIOLVRYYFU-HNNXBMFYSA-N 2 1 352.460 -0.478 20 0 FBADMP [NH3+][C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000647092181 483574279 /nfs/dbraw/zinc/57/42/79/483574279.db2.gz QEMDFIOLVRYYFU-OAHLLOKOSA-N 2 1 352.460 -0.478 20 0 FBADMP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092213 483575230 /nfs/dbraw/zinc/57/52/30/483575230.db2.gz YVLLPHZPWMSIGV-LSDHHAIUSA-N 2 1 356.492 -0.932 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179584 483754129 /nfs/dbraw/zinc/75/41/29/483754129.db2.gz FTYRALVAFXUPSZ-UHFFFAOYSA-N 2 1 358.439 -0.273 20 0 FBADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000647414160 484129774 /nfs/dbraw/zinc/12/97/74/484129774.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 2 1 358.486 -0.088 20 0 FBADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000647414160 484129770 /nfs/dbraw/zinc/12/97/70/484129770.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 2 1 358.486 -0.088 20 0 FBADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647414160 484129763 /nfs/dbraw/zinc/12/97/63/484129763.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 2 1 358.486 -0.088 20 0 FBADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000647414161 484129639 /nfs/dbraw/zinc/12/96/39/484129639.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 2 1 358.486 -0.088 20 0 FBADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000647414161 484129633 /nfs/dbraw/zinc/12/96/33/484129633.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 2 1 358.486 -0.088 20 0 FBADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000647414161 484129624 /nfs/dbraw/zinc/12/96/24/484129624.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 2 1 358.486 -0.088 20 0 FBADMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(OC)c1OCC(N)=O ZINC000647492649 484178378 /nfs/dbraw/zinc/17/83/78/484178378.db2.gz PZLOLUPXMVWDKC-UHFFFAOYSA-N 2 1 366.462 -0.095 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@H+]1CCO ZINC000647512932 484280970 /nfs/dbraw/zinc/28/09/70/484280970.db2.gz TZXQPHVCKMGYDA-KRWDZBQOSA-N 2 1 374.485 -0.014 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@@H+]1CCO ZINC000647512932 484280964 /nfs/dbraw/zinc/28/09/64/484280964.db2.gz TZXQPHVCKMGYDA-KRWDZBQOSA-N 2 1 374.485 -0.014 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@H+]1CCO ZINC000647512934 484280126 /nfs/dbraw/zinc/28/01/26/484280126.db2.gz TZXQPHVCKMGYDA-QGZVFWFLSA-N 2 1 374.485 -0.014 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@@H+]1CCO ZINC000647512934 484280120 /nfs/dbraw/zinc/28/01/20/484280120.db2.gz TZXQPHVCKMGYDA-QGZVFWFLSA-N 2 1 374.485 -0.014 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[NH+](CC3CC3)CC1)CCO2 ZINC000647557122 484305131 /nfs/dbraw/zinc/30/51/31/484305131.db2.gz SRSNFZPQSCTASS-UHFFFAOYSA-N 2 1 364.490 -0.136 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563573 484308286 /nfs/dbraw/zinc/30/82/86/484308286.db2.gz LOJLPQPRDWEOCP-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@@H]31)CCO2 ZINC000647564352 484310160 /nfs/dbraw/zinc/31/01/60/484310160.db2.gz VNNBXGZQQJRHQB-CVEARBPZSA-N 2 1 364.490 -0.138 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CCO2 ZINC000647564353 484310512 /nfs/dbraw/zinc/31/05/12/484310512.db2.gz VNNBXGZQQJRHQB-HOTGVXAUSA-N 2 1 364.490 -0.138 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@H]31)CCO2 ZINC000647564354 484309838 /nfs/dbraw/zinc/30/98/38/484309838.db2.gz VNNBXGZQQJRHQB-HZPDHXFCSA-N 2 1 364.490 -0.138 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CCO2 ZINC000647564355 484310451 /nfs/dbraw/zinc/31/04/51/484310451.db2.gz VNNBXGZQQJRHQB-JKSUJKDBSA-N 2 1 364.490 -0.138 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565397 484312958 /nfs/dbraw/zinc/31/29/58/484312958.db2.gz NBMQNZMRLDNKJB-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565398 484313299 /nfs/dbraw/zinc/31/32/99/484313299.db2.gz NBMQNZMRLDNKJB-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000647594915 484324745 /nfs/dbraw/zinc/32/47/45/484324745.db2.gz ZSYXOYGNXMFYDH-IAOVAPTHSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000647594915 484324735 /nfs/dbraw/zinc/32/47/35/484324735.db2.gz ZSYXOYGNXMFYDH-IAOVAPTHSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000647594916 484325287 /nfs/dbraw/zinc/32/52/87/484325287.db2.gz ZSYXOYGNXMFYDH-JQFCIGGWSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000647594916 484325280 /nfs/dbraw/zinc/32/52/80/484325280.db2.gz ZSYXOYGNXMFYDH-JQFCIGGWSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000647594917 484325569 /nfs/dbraw/zinc/32/55/69/484325569.db2.gz ZSYXOYGNXMFYDH-RRQGHBQHSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000647594917 484325565 /nfs/dbraw/zinc/32/55/65/484325565.db2.gz ZSYXOYGNXMFYDH-RRQGHBQHSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000647594918 484324962 /nfs/dbraw/zinc/32/49/62/484324962.db2.gz ZSYXOYGNXMFYDH-XKQJLSEDSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000647594918 484324952 /nfs/dbraw/zinc/32/49/52/484324952.db2.gz ZSYXOYGNXMFYDH-XKQJLSEDSA-N 2 1 360.458 -0.094 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000647594982 484325469 /nfs/dbraw/zinc/32/54/69/484325469.db2.gz FQOHQCVFLIREAX-BFHYXJOUSA-N 2 1 355.483 -0.713 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000647594983 484324208 /nfs/dbraw/zinc/32/42/08/484324208.db2.gz FQOHQCVFLIREAX-IHRRRGAJSA-N 2 1 355.483 -0.713 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000647594984 484325647 /nfs/dbraw/zinc/32/56/47/484325647.db2.gz FQOHQCVFLIREAX-MELADBBJSA-N 2 1 355.483 -0.713 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000647594985 484325068 /nfs/dbraw/zinc/32/50/68/484325068.db2.gz FQOHQCVFLIREAX-MJBXVCDLSA-N 2 1 355.483 -0.713 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000647597715 484326712 /nfs/dbraw/zinc/32/67/12/484326712.db2.gz JJEZHEDPSGEPQQ-DZKIICNBSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000647597715 484326711 /nfs/dbraw/zinc/32/67/11/484326711.db2.gz JJEZHEDPSGEPQQ-DZKIICNBSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000647597716 484327132 /nfs/dbraw/zinc/32/71/32/484327132.db2.gz JJEZHEDPSGEPQQ-LZWOXQAQSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000647597716 484327125 /nfs/dbraw/zinc/32/71/25/484327125.db2.gz JJEZHEDPSGEPQQ-LZWOXQAQSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000647597717 484326021 /nfs/dbraw/zinc/32/60/21/484326021.db2.gz JJEZHEDPSGEPQQ-OFQRWUPVSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000647597717 484326017 /nfs/dbraw/zinc/32/60/17/484326017.db2.gz JJEZHEDPSGEPQQ-OFQRWUPVSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000647597718 484326751 /nfs/dbraw/zinc/32/67/51/484326751.db2.gz JJEZHEDPSGEPQQ-SQWLQELKSA-N 2 1 353.511 -0.145 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000647597718 484326749 /nfs/dbraw/zinc/32/67/49/484326749.db2.gz JJEZHEDPSGEPQQ-SQWLQELKSA-N 2 1 353.511 -0.145 20 0 FBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600865 484326653 /nfs/dbraw/zinc/32/66/53/484326653.db2.gz LXXQXHGURSNNBR-HZMBPMFUSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600865 484326647 /nfs/dbraw/zinc/32/66/47/484326647.db2.gz LXXQXHGURSNNBR-HZMBPMFUSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600866 484326910 /nfs/dbraw/zinc/32/69/10/484326910.db2.gz LXXQXHGURSNNBR-IINYFYTJSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600866 484326903 /nfs/dbraw/zinc/32/69/03/484326903.db2.gz LXXQXHGURSNNBR-IINYFYTJSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600867 484327064 /nfs/dbraw/zinc/32/70/64/484327064.db2.gz LXXQXHGURSNNBR-QMTHXVAHSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600867 484327059 /nfs/dbraw/zinc/32/70/59/484327059.db2.gz LXXQXHGURSNNBR-QMTHXVAHSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600868 484326100 /nfs/dbraw/zinc/32/61/00/484326100.db2.gz LXXQXHGURSNNBR-YGRLFVJLSA-N 2 1 364.368 -0.324 20 0 FBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000647600868 484326092 /nfs/dbraw/zinc/32/60/92/484326092.db2.gz LXXQXHGURSNNBR-YGRLFVJLSA-N 2 1 364.368 -0.324 20 0 FBADMP C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000647621866 484329750 /nfs/dbraw/zinc/32/97/50/484329750.db2.gz FQWDMDPIVCOSFB-INIZCTEOSA-N 2 1 364.490 -0.136 20 0 FBADMP C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC000647621867 484329544 /nfs/dbraw/zinc/32/95/44/484329544.db2.gz FQWDMDPIVCOSFB-MRXNPFEDSA-N 2 1 364.490 -0.136 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000647673336 484421256 /nfs/dbraw/zinc/42/12/56/484421256.db2.gz IXHISQBZATVHNB-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000647673337 484421723 /nfs/dbraw/zinc/42/17/23/484421723.db2.gz IXHISQBZATVHNB-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000647705857 483679076 /nfs/dbraw/zinc/67/90/76/483679076.db2.gz RGBRHYXAYITGCN-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000647705858 483679411 /nfs/dbraw/zinc/67/94/11/483679411.db2.gz RGBRHYXAYITGCN-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000647705859 483679190 /nfs/dbraw/zinc/67/91/90/483679190.db2.gz RGBRHYXAYITGCN-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000647705860 483679018 /nfs/dbraw/zinc/67/90/18/483679018.db2.gz RGBRHYXAYITGCN-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000647834783 484301278 /nfs/dbraw/zinc/30/12/78/484301278.db2.gz SYLLOFWLSHXDPD-UHFFFAOYSA-N 2 1 363.462 -0.599 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000647834783 484301276 /nfs/dbraw/zinc/30/12/76/484301276.db2.gz SYLLOFWLSHXDPD-UHFFFAOYSA-N 2 1 363.462 -0.599 20 0 FBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834858 484300561 /nfs/dbraw/zinc/30/05/61/484300561.db2.gz CCDCCSOSGBLBKD-CYBMUJFWSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834858 484300551 /nfs/dbraw/zinc/30/05/51/484300551.db2.gz CCDCCSOSGBLBKD-CYBMUJFWSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834859 484300732 /nfs/dbraw/zinc/30/07/32/484300732.db2.gz CCDCCSOSGBLBKD-ZDUSSCGKSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834859 484300725 /nfs/dbraw/zinc/30/07/25/484300725.db2.gz CCDCCSOSGBLBKD-ZDUSSCGKSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834872 484300204 /nfs/dbraw/zinc/30/02/04/484300204.db2.gz CUDAQQZMFOIZKY-CYBMUJFWSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834872 484300195 /nfs/dbraw/zinc/30/01/95/484300195.db2.gz CUDAQQZMFOIZKY-CYBMUJFWSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834873 484301041 /nfs/dbraw/zinc/30/10/41/484301041.db2.gz CUDAQQZMFOIZKY-ZDUSSCGKSA-N 2 1 369.491 -0.502 20 0 FBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834873 484301040 /nfs/dbraw/zinc/30/10/40/484301040.db2.gz CUDAQQZMFOIZKY-ZDUSSCGKSA-N 2 1 369.491 -0.502 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000647834974 484300018 /nfs/dbraw/zinc/30/00/18/484300018.db2.gz HQBLDYGVKUUJCR-UHFFFAOYSA-N 2 1 361.490 -0.272 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000647834974 484300014 /nfs/dbraw/zinc/30/00/14/484300014.db2.gz HQBLDYGVKUUJCR-UHFFFAOYSA-N 2 1 361.490 -0.272 20 0 FBADMP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH2+]CC1 ZINC000647835269 484299478 /nfs/dbraw/zinc/29/94/78/484299478.db2.gz SLIAAGSXIXVNSD-UHFFFAOYSA-N 2 1 369.491 -0.500 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000647835659 484299191 /nfs/dbraw/zinc/29/91/91/484299191.db2.gz HIXMRDCSYHNYPM-UHFFFAOYSA-N 2 1 364.446 -0.253 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000647835659 484299187 /nfs/dbraw/zinc/29/91/87/484299187.db2.gz HIXMRDCSYHNYPM-UHFFFAOYSA-N 2 1 364.446 -0.253 20 0 FBADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835749 484299392 /nfs/dbraw/zinc/29/93/92/484299392.db2.gz MMTPNAWTCFAQGF-UHFFFAOYSA-N 2 1 367.538 -0.071 20 0 FBADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835749 484299385 /nfs/dbraw/zinc/29/93/85/484299385.db2.gz MMTPNAWTCFAQGF-UHFFFAOYSA-N 2 1 367.538 -0.071 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000647835892 484300671 /nfs/dbraw/zinc/30/06/71/484300671.db2.gz UCTRCHCDGIEHLZ-UHFFFAOYSA-N 2 1 363.462 -0.996 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000647835892 484300664 /nfs/dbraw/zinc/30/06/64/484300664.db2.gz UCTRCHCDGIEHLZ-UHFFFAOYSA-N 2 1 363.462 -0.996 20 0 FBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCN1CCCCCC1=O ZINC000647835912 484300253 /nfs/dbraw/zinc/30/02/53/484300253.db2.gz UQIHGIFWRJIUPQ-UHFFFAOYSA-N 2 1 353.511 -0.268 20 0 FBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCN1CCCCCC1=O ZINC000647835912 484300243 /nfs/dbraw/zinc/30/02/43/484300243.db2.gz UQIHGIFWRJIUPQ-UHFFFAOYSA-N 2 1 353.511 -0.268 20 0 FBADMP CC1(C)C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647841501 484300161 /nfs/dbraw/zinc/30/01/61/484300161.db2.gz ZFWIJOYTTNGQOJ-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC1(C)C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647841502 484301084 /nfs/dbraw/zinc/30/10/84/484301084.db2.gz ZFWIJOYTTNGQOJ-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP O=C(C(=O)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000647874223 484312382 /nfs/dbraw/zinc/31/23/82/484312382.db2.gz JEKUEPXAYZUFAA-UHFFFAOYSA-N 2 1 352.479 -0.231 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000647877486 484312161 /nfs/dbraw/zinc/31/21/61/484312161.db2.gz RVEKCWBQTYCNSA-ARFHVFGLSA-N 2 1 368.478 -0.726 20 0 FBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000647877487 484312315 /nfs/dbraw/zinc/31/23/15/484312315.db2.gz RVEKCWBQTYCNSA-HRCADAONSA-N 2 1 368.478 -0.726 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000647877488 484311863 /nfs/dbraw/zinc/31/18/63/484311863.db2.gz RVEKCWBQTYCNSA-JYJNAYRXSA-N 2 1 368.478 -0.726 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000647877489 484312506 /nfs/dbraw/zinc/31/25/06/484312506.db2.gz RVEKCWBQTYCNSA-XHSDSOJGSA-N 2 1 368.478 -0.726 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903798 484466808 /nfs/dbraw/zinc/46/68/08/484466808.db2.gz PWKXUOVVGNHXLB-KBPBESRZSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903798 484466803 /nfs/dbraw/zinc/46/68/03/484466803.db2.gz PWKXUOVVGNHXLB-KBPBESRZSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903799 484466426 /nfs/dbraw/zinc/46/64/26/484466426.db2.gz PWKXUOVVGNHXLB-KGLIPLIRSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903799 484466420 /nfs/dbraw/zinc/46/64/20/484466420.db2.gz PWKXUOVVGNHXLB-KGLIPLIRSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903800 484466257 /nfs/dbraw/zinc/46/62/57/484466257.db2.gz PWKXUOVVGNHXLB-UONOGXRCSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903800 484466251 /nfs/dbraw/zinc/46/62/51/484466251.db2.gz PWKXUOVVGNHXLB-UONOGXRCSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903801 484467078 /nfs/dbraw/zinc/46/70/78/484467078.db2.gz PWKXUOVVGNHXLB-ZIAGYGMSSA-N 2 1 360.462 -0.102 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2c(=O)n(C)c1=O ZINC000647903801 484467075 /nfs/dbraw/zinc/46/70/75/484467075.db2.gz PWKXUOVVGNHXLB-ZIAGYGMSSA-N 2 1 360.462 -0.102 20 0 FBADMP Cc1[nH+]ccn1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000647916382 483540227 /nfs/dbraw/zinc/54/02/27/483540227.db2.gz IUXQLLXTMQEPRQ-INIZCTEOSA-N 3 1 360.462 -0.157 20 0 FBADMP Cc1[nH+]ccn1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000647916383 483540657 /nfs/dbraw/zinc/54/06/57/483540657.db2.gz IUXQLLXTMQEPRQ-MRXNPFEDSA-N 3 1 360.462 -0.157 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978350 483899684 /nfs/dbraw/zinc/89/96/84/483899684.db2.gz QGUCVCLAHOELAV-CHWSQXEVSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978351 483899555 /nfs/dbraw/zinc/89/95/55/483899555.db2.gz QGUCVCLAHOELAV-OLZOCXBDSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978352 483899753 /nfs/dbraw/zinc/89/97/53/483899753.db2.gz QGUCVCLAHOELAV-QWHCGFSZSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978353 483899701 /nfs/dbraw/zinc/89/97/01/483899701.db2.gz QGUCVCLAHOELAV-STQMWFEESA-N 2 1 363.462 -0.440 20 0 FBADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC([NH3+])C1 ZINC000647982841 484006528 /nfs/dbraw/zinc/00/65/28/484006528.db2.gz RGFVQIDBNANFMK-UHFFFAOYSA-N 2 1 354.476 -0.196 20 0 FBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000648065707 484275619 /nfs/dbraw/zinc/27/56/19/484275619.db2.gz MNIMTHAICAMZMG-HNNXBMFYSA-N 2 1 361.494 -0.220 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000648065708 484276143 /nfs/dbraw/zinc/27/61/43/484276143.db2.gz MNIMTHAICAMZMG-OAHLLOKOSA-N 2 1 361.494 -0.220 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000648120170 484120734 /nfs/dbraw/zinc/12/07/34/484120734.db2.gz QTKDUTPXMIOAJV-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000648120171 484120069 /nfs/dbraw/zinc/12/00/69/484120069.db2.gz QTKDUTPXMIOAJV-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000648120172 484120925 /nfs/dbraw/zinc/12/09/25/484120925.db2.gz QTKDUTPXMIOAJV-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000648120173 484120311 /nfs/dbraw/zinc/12/03/11/484120311.db2.gz QTKDUTPXMIOAJV-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124001 484239567 /nfs/dbraw/zinc/23/95/67/484239567.db2.gz NUKVDDVSPOFQFQ-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124002 484238772 /nfs/dbraw/zinc/23/87/72/484238772.db2.gz NUKVDDVSPOFQFQ-IKGGRYGDSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648124003 484242563 /nfs/dbraw/zinc/24/25/63/484242563.db2.gz NUKVDDVSPOFQFQ-ULQDDVLXSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648124004 484241593 /nfs/dbraw/zinc/24/15/93/484241593.db2.gz NUKVDDVSPOFQFQ-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000648132222 483414838 /nfs/dbraw/zinc/41/48/38/483414838.db2.gz UJCNZJWMMKHPAQ-HRCADAONSA-N 2 1 370.469 -0.142 20 0 FBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000648132223 483414866 /nfs/dbraw/zinc/41/48/66/483414866.db2.gz UJCNZJWMMKHPAQ-JYJNAYRXSA-N 2 1 370.469 -0.142 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140644 483421472 /nfs/dbraw/zinc/42/14/72/483421472.db2.gz DUOFXSIUYCXBQF-KKUMJFAQSA-N 2 1 356.442 -0.484 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140645 483421273 /nfs/dbraw/zinc/42/12/73/483421273.db2.gz DUOFXSIUYCXBQF-SOUVJXGZSA-N 2 1 356.442 -0.484 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000648141045 483420918 /nfs/dbraw/zinc/42/09/18/483420918.db2.gz YVOPCEVGTRCVQB-CVEARBPZSA-N 2 1 364.490 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000648141046 483420958 /nfs/dbraw/zinc/42/09/58/483420958.db2.gz YVOPCEVGTRCVQB-HOTGVXAUSA-N 2 1 364.490 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648141047 483421354 /nfs/dbraw/zinc/42/13/54/483421354.db2.gz YVOPCEVGTRCVQB-HZPDHXFCSA-N 2 1 364.490 -0.042 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648141048 483420972 /nfs/dbraw/zinc/42/09/72/483420972.db2.gz YVOPCEVGTRCVQB-JKSUJKDBSA-N 2 1 364.490 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648150604 483625945 /nfs/dbraw/zinc/62/59/45/483625945.db2.gz RAPSIPHPPCIPJB-ZACQAIPSSA-N 2 1 364.490 -0.186 20 0 FBADMP CN(C(=O)C1([NH3+])CCCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152419 483700797 /nfs/dbraw/zinc/70/07/97/483700797.db2.gz BZAMNTKYYZVZGP-UHFFFAOYSA-N 2 1 365.522 -0.045 20 0 FBADMP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152432 483700583 /nfs/dbraw/zinc/70/05/83/483700583.db2.gz FHBYTRIWBXSSLX-VQFNDLOPSA-N 2 1 363.506 -0.851 20 0 FBADMP CN(C(=O)CC1([NH3+])CCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152433 483701058 /nfs/dbraw/zinc/70/10/58/483701058.db2.gz GCKMBRNXWGLOQR-UHFFFAOYSA-N 2 1 365.522 -0.045 20 0 FBADMP CN(C(=O)CC(C)(C)[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152436 483700668 /nfs/dbraw/zinc/70/06/68/483700668.db2.gz GGULPLUJPZNOCY-UHFFFAOYSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(C(=O)C[C@@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152445 483700627 /nfs/dbraw/zinc/70/06/27/483700627.db2.gz IMKLRBNZQZRJTJ-INIZCTEOSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C(=O)C[C@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152446 483700928 /nfs/dbraw/zinc/70/09/28/483700928.db2.gz IMKLRBNZQZRJTJ-MRXNPFEDSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152502 483701516 /nfs/dbraw/zinc/70/15/16/483701516.db2.gz TVAMXZOPNHMQPG-KRWDZBQOSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152503 483701337 /nfs/dbraw/zinc/70/13/37/483701337.db2.gz TVAMXZOPNHMQPG-QGZVFWFLSA-N 2 1 365.522 -0.319 20 0 FBADMP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152506 483701589 /nfs/dbraw/zinc/70/15/89/483701589.db2.gz UIZUABURECRQSY-OIISXLGYSA-N 2 1 363.506 -0.566 20 0 FBADMP CO[C@H](C[NH3+])CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152507 483701630 /nfs/dbraw/zinc/70/16/30/483701630.db2.gz UKBBCYMDEZHGLZ-INIZCTEOSA-N 2 1 369.510 -0.953 20 0 FBADMP CO[C@@H](C[NH3+])CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152508 483701403 /nfs/dbraw/zinc/70/14/03/483701403.db2.gz UKBBCYMDEZHGLZ-MRXNPFEDSA-N 2 1 369.510 -0.953 20 0 FBADMP CN1CC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)S1(=O)=O ZINC000648255151 484313846 /nfs/dbraw/zinc/31/38/46/484313846.db2.gz OVQHTSGJHOPGLA-AWEZNQCLSA-N 2 1 353.448 -0.194 20 0 FBADMP CN1CC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)S1(=O)=O ZINC000648255152 484313493 /nfs/dbraw/zinc/31/34/93/484313493.db2.gz OVQHTSGJHOPGLA-CQSZACIVSA-N 2 1 353.448 -0.194 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759853 484352305 /nfs/dbraw/zinc/35/23/05/484352305.db2.gz XAMAPOMZYLMEQG-CABCVRRESA-N 2 1 360.524 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759854 484352266 /nfs/dbraw/zinc/35/22/66/484352266.db2.gz XAMAPOMZYLMEQG-GJZGRUSLSA-N 2 1 360.524 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759855 484353265 /nfs/dbraw/zinc/35/32/65/484353265.db2.gz XAMAPOMZYLMEQG-HUUCEWRRSA-N 2 1 360.524 -0.105 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759856 484352561 /nfs/dbraw/zinc/35/25/61/484352561.db2.gz XAMAPOMZYLMEQG-LSDHHAIUSA-N 2 1 360.524 -0.105 20 0 FBADMP COC(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648858749 484418153 /nfs/dbraw/zinc/41/81/53/484418153.db2.gz MHIGOLXZOWGYOG-RRCSTGOVSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648872748 484421195 /nfs/dbraw/zinc/42/11/95/484421195.db2.gz PPUQFVRRFBDJHU-IBEHDNSVSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648872748 484421184 /nfs/dbraw/zinc/42/11/84/484421184.db2.gz PPUQFVRRFBDJHU-IBEHDNSVSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648872748 484421174 /nfs/dbraw/zinc/42/11/74/484421174.db2.gz PPUQFVRRFBDJHU-IBEHDNSVSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648872749 484420527 /nfs/dbraw/zinc/42/05/27/484420527.db2.gz PPUQFVRRFBDJHU-OXGONZEZSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648872749 484420522 /nfs/dbraw/zinc/42/05/22/484420522.db2.gz PPUQFVRRFBDJHU-OXGONZEZSA-N 2 1 354.495 -0.086 20 0 FBADMP COC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648872749 484420516 /nfs/dbraw/zinc/42/05/16/484420516.db2.gz PPUQFVRRFBDJHU-OXGONZEZSA-N 2 1 354.495 -0.086 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271393 484778789 /nfs/dbraw/zinc/77/87/89/484778789.db2.gz GPMSRZSVBAGRAZ-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271394 484778686 /nfs/dbraw/zinc/77/86/86/484778686.db2.gz GPMSRZSVBAGRAZ-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271396 484777720 /nfs/dbraw/zinc/77/77/20/484777720.db2.gz GPMSRZSVBAGRAZ-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271398 484778276 /nfs/dbraw/zinc/77/82/76/484778276.db2.gz GPMSRZSVBAGRAZ-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000649274325 484780515 /nfs/dbraw/zinc/78/05/15/484780515.db2.gz DEPZWCBQKNONLJ-FPCVCCKLSA-N 2 1 352.479 -0.106 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000649274326 484780419 /nfs/dbraw/zinc/78/04/19/484780419.db2.gz DEPZWCBQKNONLJ-JJXSEGSLSA-N 2 1 352.479 -0.106 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000649274327 484780677 /nfs/dbraw/zinc/78/06/77/484780677.db2.gz DEPZWCBQKNONLJ-KLHDSHLOSA-N 2 1 352.479 -0.106 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000649274328 484780764 /nfs/dbraw/zinc/78/07/64/484780764.db2.gz DEPZWCBQKNONLJ-ZJIFWQFVSA-N 2 1 352.479 -0.106 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845324 /nfs/dbraw/zinc/84/53/24/484845324.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845320 /nfs/dbraw/zinc/84/53/20/484845320.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845316 /nfs/dbraw/zinc/84/53/16/484845316.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845694 /nfs/dbraw/zinc/84/56/94/484845694.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845689 /nfs/dbraw/zinc/84/56/89/484845689.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845684 /nfs/dbraw/zinc/84/56/84/484845684.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845605 /nfs/dbraw/zinc/84/56/05/484845605.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845601 /nfs/dbraw/zinc/84/56/01/484845601.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845594 /nfs/dbraw/zinc/84/55/94/484845594.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845066 /nfs/dbraw/zinc/84/50/66/484845066.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845061 /nfs/dbraw/zinc/84/50/61/484845061.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845055 /nfs/dbraw/zinc/84/50/55/484845055.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 3 1 365.522 -0.223 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649306344 484849508 /nfs/dbraw/zinc/84/95/08/484849508.db2.gz MRYZRGAPYADLIA-INIZCTEOSA-N 2 1 353.511 -0.284 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649306345 484849888 /nfs/dbraw/zinc/84/98/88/484849888.db2.gz MRYZRGAPYADLIA-MRXNPFEDSA-N 2 1 353.511 -0.284 20 0 FBADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COCC[NH3+] ZINC000649310424 484855836 /nfs/dbraw/zinc/85/58/36/484855836.db2.gz FPSHCQFMIWFLNC-UHFFFAOYSA-N 2 1 350.419 -0.003 20 0 FBADMP CC1(OCC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[NH2+]C1 ZINC000649316297 484870712 /nfs/dbraw/zinc/87/07/12/484870712.db2.gz PJEHJMXCVAAHOZ-UHFFFAOYSA-N 2 1 360.458 -0.175 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)CC1 ZINC000649324078 484894546 /nfs/dbraw/zinc/89/45/46/484894546.db2.gz PZNJKYHKEHDTSY-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP [NH3+]CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC000649335454 484925319 /nfs/dbraw/zinc/92/53/19/484925319.db2.gz DHDHHGPJJNESLK-CYBMUJFWSA-N 2 1 353.492 -0.219 20 0 FBADMP [NH3+]CCc1nc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC000649335455 484926120 /nfs/dbraw/zinc/92/61/20/484926120.db2.gz DHDHHGPJJNESLK-ZDUSSCGKSA-N 2 1 353.492 -0.219 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649351714 484953067 /nfs/dbraw/zinc/95/30/67/484953067.db2.gz LXVUKGDTRSABHB-CVEARBPZSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649351715 484953060 /nfs/dbraw/zinc/95/30/60/484953060.db2.gz LXVUKGDTRSABHB-HOTGVXAUSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649351716 484953672 /nfs/dbraw/zinc/95/36/72/484953672.db2.gz LXVUKGDTRSABHB-HZPDHXFCSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649351717 484953990 /nfs/dbraw/zinc/95/39/90/484953990.db2.gz LXVUKGDTRSABHB-JKSUJKDBSA-N 2 1 353.511 -0.284 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)C1 ZINC000649352721 484956584 /nfs/dbraw/zinc/95/65/84/484956584.db2.gz GSPQYRXJZLEAGJ-CVEARBPZSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)C1 ZINC000649352722 484956827 /nfs/dbraw/zinc/95/68/27/484956827.db2.gz GSPQYRXJZLEAGJ-HOTGVXAUSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CC2)C1 ZINC000649352723 484957180 /nfs/dbraw/zinc/95/71/80/484957180.db2.gz GSPQYRXJZLEAGJ-HZPDHXFCSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CC2)C1 ZINC000649352724 484957003 /nfs/dbraw/zinc/95/70/03/484957003.db2.gz GSPQYRXJZLEAGJ-JKSUJKDBSA-N 2 1 351.495 -0.435 20 0 FBADMP C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409650 484981666 /nfs/dbraw/zinc/98/16/66/484981666.db2.gz JIRCJEAHSDBZTJ-UHFFFAOYSA-N 2 1 361.494 -0.648 20 0 FBADMP C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409665 484981365 /nfs/dbraw/zinc/98/13/65/484981365.db2.gz LXXZWEQGJJIXEA-UHFFFAOYSA-N 2 1 360.506 -0.043 20 0 FBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409670 484982095 /nfs/dbraw/zinc/98/20/95/484982095.db2.gz MGCWMAKGPASCSI-INIZCTEOSA-N 2 1 361.494 -0.649 20 0 FBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409670 484982092 /nfs/dbraw/zinc/98/20/92/484982092.db2.gz MGCWMAKGPASCSI-INIZCTEOSA-N 2 1 361.494 -0.649 20 0 FBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409671 484981902 /nfs/dbraw/zinc/98/19/02/484981902.db2.gz MGCWMAKGPASCSI-MRXNPFEDSA-N 2 1 361.494 -0.649 20 0 FBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409671 484981899 /nfs/dbraw/zinc/98/18/99/484981899.db2.gz MGCWMAKGPASCSI-MRXNPFEDSA-N 2 1 361.494 -0.649 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000649409772 484981845 /nfs/dbraw/zinc/98/18/45/484981845.db2.gz WAQQTBIQVSFNLB-KRWDZBQOSA-N 2 1 355.527 -0.704 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000649409773 484981915 /nfs/dbraw/zinc/98/19/15/484981915.db2.gz WAQQTBIQVSFNLB-QGZVFWFLSA-N 2 1 355.527 -0.704 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000649418833 484986903 /nfs/dbraw/zinc/98/69/03/484986903.db2.gz ZOEWECKFOJZQPY-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000649418833 484986899 /nfs/dbraw/zinc/98/68/99/484986899.db2.gz ZOEWECKFOJZQPY-DLBZAZTESA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000649418834 484986287 /nfs/dbraw/zinc/98/62/87/484986287.db2.gz ZOEWECKFOJZQPY-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000649418834 484986280 /nfs/dbraw/zinc/98/62/80/484986280.db2.gz ZOEWECKFOJZQPY-IAGOWNOFSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000649418835 484987111 /nfs/dbraw/zinc/98/71/11/484987111.db2.gz ZOEWECKFOJZQPY-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000649418835 484987105 /nfs/dbraw/zinc/98/71/05/484987105.db2.gz ZOEWECKFOJZQPY-IRXDYDNUSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000649418836 484986826 /nfs/dbraw/zinc/98/68/26/484986826.db2.gz ZOEWECKFOJZQPY-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000649418836 484986822 /nfs/dbraw/zinc/98/68/22/484986822.db2.gz ZOEWECKFOJZQPY-SJORKVTESA-N 2 1 365.522 -0.317 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000649420241 484984918 /nfs/dbraw/zinc/98/49/18/484984918.db2.gz XRPQNSJXCWFQKQ-CVEARBPZSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000649420241 484984913 /nfs/dbraw/zinc/98/49/13/484984913.db2.gz XRPQNSJXCWFQKQ-CVEARBPZSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000649420242 484985118 /nfs/dbraw/zinc/98/51/18/484985118.db2.gz XRPQNSJXCWFQKQ-HOTGVXAUSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000649420242 484985115 /nfs/dbraw/zinc/98/51/15/484985115.db2.gz XRPQNSJXCWFQKQ-HOTGVXAUSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000649420243 484985255 /nfs/dbraw/zinc/98/52/55/484985255.db2.gz XRPQNSJXCWFQKQ-HZPDHXFCSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000649420243 484985249 /nfs/dbraw/zinc/98/52/49/484985249.db2.gz XRPQNSJXCWFQKQ-HZPDHXFCSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000649420244 484985571 /nfs/dbraw/zinc/98/55/71/484985571.db2.gz XRPQNSJXCWFQKQ-JKSUJKDBSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000649420244 484985566 /nfs/dbraw/zinc/98/55/66/484985566.db2.gz XRPQNSJXCWFQKQ-JKSUJKDBSA-N 2 1 367.538 -0.038 20 0 FBADMP C[C@@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000649865395 485262809 /nfs/dbraw/zinc/26/28/09/485262809.db2.gz VKCACWKMIYPBOE-HOTGVXAUSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC1 ZINC000649865396 485262793 /nfs/dbraw/zinc/26/27/93/485262793.db2.gz VKCACWKMIYPBOE-HZPDHXFCSA-N 2 1 372.510 -0.937 20 0 FBADMP C[C@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000649865397 485262887 /nfs/dbraw/zinc/26/28/87/485262887.db2.gz VKCACWKMIYPBOE-IYBDPMFKSA-N 2 1 372.510 -0.937 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(CCOCCOC)CC2)CC1 ZINC000649898478 485283231 /nfs/dbraw/zinc/28/32/31/485283231.db2.gz OUKGSOAHUNZPCH-KRWDZBQOSA-N 2 1 356.511 -0.180 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(CCOCCOC)CC2)CC1 ZINC000649898479 485283313 /nfs/dbraw/zinc/28/33/13/485283313.db2.gz OUKGSOAHUNZPCH-QGZVFWFLSA-N 2 1 356.511 -0.180 20 0 FBADMP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650062417 483963878 /nfs/dbraw/zinc/96/38/78/483963878.db2.gz PLHKIOUAZCLUNU-MRXNPFEDSA-N 2 1 364.450 -0.502 20 0 FBADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)n2C ZINC000650305995 483705234 /nfs/dbraw/zinc/70/52/34/483705234.db2.gz SVVXRRNYORBFAN-UHFFFAOYSA-N 2 1 373.461 -0.120 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650583118 483807123 /nfs/dbraw/zinc/80/71/23/483807123.db2.gz RWFUGOOTGWTBRA-INIZCTEOSA-N 2 1 369.510 -0.241 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650583119 483806676 /nfs/dbraw/zinc/80/66/76/483806676.db2.gz RWFUGOOTGWTBRA-MRXNPFEDSA-N 2 1 369.510 -0.241 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000650607289 483863466 /nfs/dbraw/zinc/86/34/66/483863466.db2.gz KHQQOVZKWVGQNH-IYBDPMFKSA-N 2 1 369.510 -0.099 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000650610524 483866600 /nfs/dbraw/zinc/86/66/00/483866600.db2.gz XCYJKAYDJNSGSP-INIZCTEOSA-N 2 1 369.510 -0.241 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000650610525 483866767 /nfs/dbraw/zinc/86/67/67/483866767.db2.gz XCYJKAYDJNSGSP-MRXNPFEDSA-N 2 1 369.510 -0.241 20 0 FBADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650611810 483868140 /nfs/dbraw/zinc/86/81/40/483868140.db2.gz ZCAAGGFGXOYTKL-UHFFFAOYSA-N 2 1 368.526 -0.572 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650627072 483876954 /nfs/dbraw/zinc/87/69/54/483876954.db2.gz WXLDCSPPWJLCIE-UHFFFAOYSA-N 2 1 368.526 -0.572 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650816240 484078411 /nfs/dbraw/zinc/07/84/11/484078411.db2.gz PCTRRVLZMIZLLY-CVEARBPZSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650816240 484078406 /nfs/dbraw/zinc/07/84/06/484078406.db2.gz PCTRRVLZMIZLLY-CVEARBPZSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650816240 484078401 /nfs/dbraw/zinc/07/84/01/484078401.db2.gz PCTRRVLZMIZLLY-CVEARBPZSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650816240 484078397 /nfs/dbraw/zinc/07/83/97/484078397.db2.gz PCTRRVLZMIZLLY-CVEARBPZSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650816241 484077966 /nfs/dbraw/zinc/07/79/66/484077966.db2.gz PCTRRVLZMIZLLY-HZPDHXFCSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650816241 484077963 /nfs/dbraw/zinc/07/79/63/484077963.db2.gz PCTRRVLZMIZLLY-HZPDHXFCSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650816241 484077956 /nfs/dbraw/zinc/07/79/56/484077956.db2.gz PCTRRVLZMIZLLY-HZPDHXFCSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650816241 484077951 /nfs/dbraw/zinc/07/79/51/484077951.db2.gz PCTRRVLZMIZLLY-HZPDHXFCSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650861166 484086167 /nfs/dbraw/zinc/08/61/67/484086167.db2.gz JCJUCSNLCROHQX-MRXNPFEDSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650861166 484086161 /nfs/dbraw/zinc/08/61/61/484086161.db2.gz JCJUCSNLCROHQX-MRXNPFEDSA-N 2 1 367.494 -0.611 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650863516 484085728 /nfs/dbraw/zinc/08/57/28/484085728.db2.gz QCGOUHMIZKPHCS-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650863517 484086015 /nfs/dbraw/zinc/08/60/15/484086015.db2.gz QCGOUHMIZKPHCS-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000650891310 484091990 /nfs/dbraw/zinc/09/19/90/484091990.db2.gz IPDPRGSTKNNQRV-UHFFFAOYSA-N 2 1 368.526 -0.571 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650892762 484092663 /nfs/dbraw/zinc/09/26/63/484092663.db2.gz XXMQPDWRIUHVDN-DZGCQCFKSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650892762 484092658 /nfs/dbraw/zinc/09/26/58/484092658.db2.gz XXMQPDWRIUHVDN-DZGCQCFKSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650892762 484092656 /nfs/dbraw/zinc/09/26/56/484092656.db2.gz XXMQPDWRIUHVDN-DZGCQCFKSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650892762 484092653 /nfs/dbraw/zinc/09/26/53/484092653.db2.gz XXMQPDWRIUHVDN-DZGCQCFKSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650892763 484091633 /nfs/dbraw/zinc/09/16/33/484091633.db2.gz XXMQPDWRIUHVDN-UKRRQHHQSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650892763 484091629 /nfs/dbraw/zinc/09/16/29/484091629.db2.gz XXMQPDWRIUHVDN-UKRRQHHQSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650892763 484091621 /nfs/dbraw/zinc/09/16/21/484091621.db2.gz XXMQPDWRIUHVDN-UKRRQHHQSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650892763 484091615 /nfs/dbraw/zinc/09/16/15/484091615.db2.gz XXMQPDWRIUHVDN-UKRRQHHQSA-N 2 1 353.467 -0.966 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCOCC1 ZINC000650900186 484099511 /nfs/dbraw/zinc/09/95/11/484099511.db2.gz ZIVXJVAHQZVIOU-HNNXBMFYSA-N 2 1 355.483 -0.630 20 0 FBADMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCOCC1 ZINC000650900188 484099559 /nfs/dbraw/zinc/09/95/59/484099559.db2.gz ZIVXJVAHQZVIOU-OAHLLOKOSA-N 2 1 355.483 -0.630 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000650922782 484149524 /nfs/dbraw/zinc/14/95/24/484149524.db2.gz MHHNCCUAWYVOLC-INIZCTEOSA-N 2 1 368.526 -0.715 20 0 FBADMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000650922783 484149835 /nfs/dbraw/zinc/14/98/35/484149835.db2.gz MHHNCCUAWYVOLC-MRXNPFEDSA-N 2 1 368.526 -0.715 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1C ZINC000650966731 484376501 /nfs/dbraw/zinc/37/65/01/484376501.db2.gz VSKLCMUFXSXNRE-UHFFFAOYSA-N 2 1 351.455 -0.599 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974329 484382584 /nfs/dbraw/zinc/38/25/84/484382584.db2.gz LZMNVSYJJYDIOS-BRWVUGGUSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974329 484382576 /nfs/dbraw/zinc/38/25/76/484382576.db2.gz LZMNVSYJJYDIOS-BRWVUGGUSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974330 484382068 /nfs/dbraw/zinc/38/20/68/484382068.db2.gz LZMNVSYJJYDIOS-IKGGRYGDSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974330 484382067 /nfs/dbraw/zinc/38/20/67/484382067.db2.gz LZMNVSYJJYDIOS-IKGGRYGDSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974331 484382054 /nfs/dbraw/zinc/38/20/54/484382054.db2.gz LZMNVSYJJYDIOS-IXDOHACOSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974331 484382051 /nfs/dbraw/zinc/38/20/51/484382051.db2.gz LZMNVSYJJYDIOS-IXDOHACOSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974332 484382003 /nfs/dbraw/zinc/38/20/03/484382003.db2.gz LZMNVSYJJYDIOS-ZACQAIPSSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974332 484381999 /nfs/dbraw/zinc/38/19/99/484381999.db2.gz LZMNVSYJJYDIOS-ZACQAIPSSA-N 2 1 352.479 -0.175 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccn1 ZINC000650998183 484409656 /nfs/dbraw/zinc/40/96/56/484409656.db2.gz XFFLJUJTYLBPFE-MRXNPFEDSA-N 2 1 363.462 -0.018 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccn1 ZINC000650998183 484409648 /nfs/dbraw/zinc/40/96/48/484409648.db2.gz XFFLJUJTYLBPFE-MRXNPFEDSA-N 2 1 363.462 -0.018 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000651062025 483436123 /nfs/dbraw/zinc/43/61/23/483436123.db2.gz MDDXCKDKXVDTSB-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000651062026 483436440 /nfs/dbraw/zinc/43/64/40/483436440.db2.gz MDDXCKDKXVDTSB-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000651079088 483437045 /nfs/dbraw/zinc/43/70/45/483437045.db2.gz ITPLAAUYRCIAFM-UHFFFAOYSA-N 2 1 368.526 -0.572 20 0 FBADMP COCCOCCN1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000651118623 483443102 /nfs/dbraw/zinc/44/31/02/483443102.db2.gz ZOVGMNIXBRIXAA-UHFFFAOYSA-N 2 1 358.483 -0.301 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222463 483450994 /nfs/dbraw/zinc/45/09/94/483450994.db2.gz ZAZMFERVOTUXMD-CYBMUJFWSA-N 2 1 351.455 -0.749 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222464 483450922 /nfs/dbraw/zinc/45/09/22/483450922.db2.gz ZAZMFERVOTUXMD-ZDUSSCGKSA-N 2 1 351.455 -0.749 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC000651831628 483701544 /nfs/dbraw/zinc/70/15/44/483701544.db2.gz ARASGBXRTYDPRL-HNNXBMFYSA-N 2 1 366.466 -0.654 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)cn1 ZINC000651831629 483701438 /nfs/dbraw/zinc/70/14/38/483701438.db2.gz ARASGBXRTYDPRL-OAHLLOKOSA-N 2 1 366.466 -0.654 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000651831761 483701641 /nfs/dbraw/zinc/70/16/41/483701641.db2.gz HAUQQIVOJHDAKF-HNNXBMFYSA-N 2 1 366.466 -0.654 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000651831762 483701254 /nfs/dbraw/zinc/70/12/54/483701254.db2.gz HAUQQIVOJHDAKF-OAHLLOKOSA-N 2 1 366.466 -0.654 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000651837586 483701946 /nfs/dbraw/zinc/70/19/46/483701946.db2.gz JYLUODDDYKVVFX-OKILXGFUSA-N 2 1 366.466 -0.703 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000651837586 483701942 /nfs/dbraw/zinc/70/19/42/483701942.db2.gz JYLUODDDYKVVFX-OKILXGFUSA-N 2 1 366.466 -0.703 20 0 FBADMP C[NH+](C)CCN1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000651890528 483717032 /nfs/dbraw/zinc/71/70/32/483717032.db2.gz GVLFRMLHXMKDLQ-UHFFFAOYSA-N 2 1 361.494 -0.566 20 0 FBADMP Cc1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn2cc[nH+]c12 ZINC000651957562 483484304 /nfs/dbraw/zinc/48/43/04/483484304.db2.gz BEPWHFOFMFIKPX-UHFFFAOYSA-N 2 1 372.429 -0.186 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1=O ZINC000651958883 483496036 /nfs/dbraw/zinc/49/60/36/483496036.db2.gz WEHXBPIOEDLSCB-UHFFFAOYSA-N 2 1 373.457 -0.197 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1=O ZINC000651958883 483496032 /nfs/dbraw/zinc/49/60/32/483496032.db2.gz WEHXBPIOEDLSCB-UHFFFAOYSA-N 2 1 373.457 -0.197 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652129704 483604656 /nfs/dbraw/zinc/60/46/56/483604656.db2.gz OZDDPYHNFJOKEC-GDBMZVCRSA-N 2 1 369.510 -0.018 20 0 FBADMP CCO[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144743 483630960 /nfs/dbraw/zinc/63/09/60/483630960.db2.gz QPIJMYNTKXEHDR-BZUAXINKSA-N 2 1 369.510 -0.066 20 0 FBADMP CCO[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144744 483630759 /nfs/dbraw/zinc/63/07/59/483630759.db2.gz QPIJMYNTKXEHDR-OWCLPIDISA-N 2 1 369.510 -0.066 20 0 FBADMP CCO[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652150518 483739695 /nfs/dbraw/zinc/73/96/95/483739695.db2.gz YYXUGDAJNNFEIV-UKRRQHHQSA-N 2 1 355.483 -0.456 20 0 FBADMP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652153124 483740672 /nfs/dbraw/zinc/74/06/72/483740672.db2.gz BRFNYDGJLCAWAQ-BRWVUGGUSA-N 2 1 369.510 -0.602 20 0 FBADMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652153125 483740927 /nfs/dbraw/zinc/74/09/27/483740927.db2.gz BRFNYDGJLCAWAQ-IXDOHACOSA-N 2 1 369.510 -0.602 20 0 FBADMP CCO[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000652199619 483749264 /nfs/dbraw/zinc/74/92/64/483749264.db2.gz YNLMDTFVRFSSIJ-HZPDHXFCSA-N 2 1 370.494 -0.127 20 0 FBADMP C[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652201873 483749364 /nfs/dbraw/zinc/74/93/64/483749364.db2.gz RWPASRIZFKIREX-KRWDZBQOSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652201873 483749361 /nfs/dbraw/zinc/74/93/61/483749361.db2.gz RWPASRIZFKIREX-KRWDZBQOSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652201874 483749210 /nfs/dbraw/zinc/74/92/10/483749210.db2.gz RWPASRIZFKIREX-QGZVFWFLSA-N 2 1 359.474 -0.014 20 0 FBADMP C[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652201874 483749208 /nfs/dbraw/zinc/74/92/08/483749208.db2.gz RWPASRIZFKIREX-QGZVFWFLSA-N 2 1 359.474 -0.014 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000652323342 483761796 /nfs/dbraw/zinc/76/17/96/483761796.db2.gz FJKYWNIGDFERNR-UHFFFAOYSA-N 2 1 359.496 -0.995 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000652348601 483774390 /nfs/dbraw/zinc/77/43/90/483774390.db2.gz JWYKYGJOZAFEGO-DZKIICNBSA-N 2 1 371.507 -0.083 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000652348602 483774242 /nfs/dbraw/zinc/77/42/42/483774242.db2.gz JWYKYGJOZAFEGO-LZWOXQAQSA-N 2 1 371.507 -0.083 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000652348603 483774428 /nfs/dbraw/zinc/77/44/28/483774428.db2.gz JWYKYGJOZAFEGO-OFQRWUPVSA-N 2 1 371.507 -0.083 20 0 FBADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000652348604 483774278 /nfs/dbraw/zinc/77/42/78/483774278.db2.gz JWYKYGJOZAFEGO-SQWLQELKSA-N 2 1 371.507 -0.083 20 0 FBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)c(=O)n2C ZINC000652352100 483775996 /nfs/dbraw/zinc/77/59/96/483775996.db2.gz FLIFITALFTVTPN-UGSOOPFHSA-N 2 1 360.462 -0.115 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352116 483776005 /nfs/dbraw/zinc/77/60/05/483776005.db2.gz GYVXDKYYOTWAJC-YJBOKZPZSA-N 2 1 351.495 -0.720 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352116 483776003 /nfs/dbraw/zinc/77/60/03/483776003.db2.gz GYVXDKYYOTWAJC-YJBOKZPZSA-N 2 1 351.495 -0.720 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC000652355373 483775636 /nfs/dbraw/zinc/77/56/36/483775636.db2.gz WRNHQMWXARUXCO-CVEARBPZSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC000652355374 483775896 /nfs/dbraw/zinc/77/58/96/483775896.db2.gz WRNHQMWXARUXCO-HOTGVXAUSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC000652355375 483775833 /nfs/dbraw/zinc/77/58/33/483775833.db2.gz WRNHQMWXARUXCO-HZPDHXFCSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC000652355376 483775920 /nfs/dbraw/zinc/77/59/20/483775920.db2.gz WRNHQMWXARUXCO-JKSUJKDBSA-N 2 1 353.511 -0.332 20 0 FBADMP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356321 483775783 /nfs/dbraw/zinc/77/57/83/483775783.db2.gz AVWZFCWYYNCWND-ARFHVFGLSA-N 2 1 362.478 -0.191 20 0 FBADMP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356321 483775780 /nfs/dbraw/zinc/77/57/80/483775780.db2.gz AVWZFCWYYNCWND-ARFHVFGLSA-N 2 1 362.478 -0.191 20 0 FBADMP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356322 483775954 /nfs/dbraw/zinc/77/59/54/483775954.db2.gz AVWZFCWYYNCWND-BZUAXINKSA-N 2 1 362.478 -0.191 20 0 FBADMP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356322 483775952 /nfs/dbraw/zinc/77/59/52/483775952.db2.gz AVWZFCWYYNCWND-BZUAXINKSA-N 2 1 362.478 -0.191 20 0 FBADMP CCO[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000652356708 483775812 /nfs/dbraw/zinc/77/58/12/483775812.db2.gz AQWHXNIMYAZVFF-CHWSQXEVSA-N 2 1 364.450 -0.881 20 0 FBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356929 483775857 /nfs/dbraw/zinc/77/58/57/483775857.db2.gz QSAAMGNMIHHRRD-HZPDHXFCSA-N 2 1 362.478 -0.189 20 0 FBADMP CCO[C@@H]1CN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652357044 483775671 /nfs/dbraw/zinc/77/56/71/483775671.db2.gz YTFGYWPIVOVQBL-BRWVUGGUSA-N 2 1 356.511 -0.245 20 0 FBADMP CCO[C@@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652357045 483775967 /nfs/dbraw/zinc/77/59/67/483775967.db2.gz YTFGYWPIVOVQBL-IXDOHACOSA-N 2 1 356.511 -0.245 20 0 FBADMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652357572 483775909 /nfs/dbraw/zinc/77/59/09/483775909.db2.gz YLXUJRXOZHUUKU-IUODEOHRSA-N 2 1 370.475 -0.042 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652391236 483780426 /nfs/dbraw/zinc/78/04/26/483780426.db2.gz NHSLTXXHCQTNRA-UHFFFAOYSA-N 2 1 367.494 -0.981 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652408663 483782161 /nfs/dbraw/zinc/78/21/61/483782161.db2.gz JXQWACHBNDRQKH-HNNXBMFYSA-N 2 1 367.494 -0.981 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652408664 483782110 /nfs/dbraw/zinc/78/21/10/483782110.db2.gz JXQWACHBNDRQKH-OAHLLOKOSA-N 2 1 367.494 -0.981 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000652429226 483785062 /nfs/dbraw/zinc/78/50/62/483785062.db2.gz CWCRYSCFRWMEEL-UHFFFAOYSA-N 2 1 356.511 -0.004 20 0 FBADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000652429226 483785060 /nfs/dbraw/zinc/78/50/60/483785060.db2.gz CWCRYSCFRWMEEL-UHFFFAOYSA-N 2 1 356.511 -0.004 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000652429226 483785059 /nfs/dbraw/zinc/78/50/59/483785059.db2.gz CWCRYSCFRWMEEL-UHFFFAOYSA-N 2 1 356.511 -0.004 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652456125 483789989 /nfs/dbraw/zinc/78/99/89/483789989.db2.gz BKYGHBQIHHSPTH-HNNXBMFYSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652456125 483789985 /nfs/dbraw/zinc/78/99/85/483789985.db2.gz BKYGHBQIHHSPTH-HNNXBMFYSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652456126 483789824 /nfs/dbraw/zinc/78/98/24/483789824.db2.gz BKYGHBQIHHSPTH-OAHLLOKOSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652456126 483789822 /nfs/dbraw/zinc/78/98/22/483789822.db2.gz BKYGHBQIHHSPTH-OAHLLOKOSA-N 2 1 367.494 -0.983 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C ZINC000652456854 483788271 /nfs/dbraw/zinc/78/82/71/483788271.db2.gz NJJWYAIVEIHDLN-CABCVRRESA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C ZINC000652456854 483788269 /nfs/dbraw/zinc/78/82/69/483788269.db2.gz NJJWYAIVEIHDLN-CABCVRRESA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000652456855 483788647 /nfs/dbraw/zinc/78/86/47/483788647.db2.gz NJJWYAIVEIHDLN-GJZGRUSLSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000652456855 483788644 /nfs/dbraw/zinc/78/86/44/483788644.db2.gz NJJWYAIVEIHDLN-GJZGRUSLSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C ZINC000652456856 483788586 /nfs/dbraw/zinc/78/85/86/483788586.db2.gz NJJWYAIVEIHDLN-HUUCEWRRSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C ZINC000652456856 483788583 /nfs/dbraw/zinc/78/85/83/483788583.db2.gz NJJWYAIVEIHDLN-HUUCEWRRSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000652456857 483788664 /nfs/dbraw/zinc/78/86/64/483788664.db2.gz NJJWYAIVEIHDLN-LSDHHAIUSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000652456857 483788661 /nfs/dbraw/zinc/78/86/61/483788661.db2.gz NJJWYAIVEIHDLN-LSDHHAIUSA-N 2 1 367.494 -0.840 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459240 483790379 /nfs/dbraw/zinc/79/03/79/483790379.db2.gz CUKCZUVYNFWLST-CABCVRRESA-N 2 1 367.494 -0.983 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459241 483790289 /nfs/dbraw/zinc/79/02/89/483790289.db2.gz CUKCZUVYNFWLST-GJZGRUSLSA-N 2 1 367.494 -0.983 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459242 483790196 /nfs/dbraw/zinc/79/01/96/483790196.db2.gz CUKCZUVYNFWLST-HUUCEWRRSA-N 2 1 367.494 -0.983 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459243 483790189 /nfs/dbraw/zinc/79/01/89/483790189.db2.gz CUKCZUVYNFWLST-LSDHHAIUSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652459465 483790331 /nfs/dbraw/zinc/79/03/31/483790331.db2.gz SVJHEQIYSPPLNC-HNNXBMFYSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652459465 483790329 /nfs/dbraw/zinc/79/03/29/483790329.db2.gz SVJHEQIYSPPLNC-HNNXBMFYSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652459466 483790209 /nfs/dbraw/zinc/79/02/09/483790209.db2.gz SVJHEQIYSPPLNC-OAHLLOKOSA-N 2 1 367.494 -0.983 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652459466 483790207 /nfs/dbraw/zinc/79/02/07/483790207.db2.gz SVJHEQIYSPPLNC-OAHLLOKOSA-N 2 1 367.494 -0.983 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652460805 483791008 /nfs/dbraw/zinc/79/10/08/483791008.db2.gz HILVPHHUKVVKIF-CABCVRRESA-N 2 1 367.494 -0.840 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652460806 483791181 /nfs/dbraw/zinc/79/11/81/483791181.db2.gz HILVPHHUKVVKIF-GJZGRUSLSA-N 2 1 367.494 -0.840 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652460807 483791158 /nfs/dbraw/zinc/79/11/58/483791158.db2.gz HILVPHHUKVVKIF-HUUCEWRRSA-N 2 1 367.494 -0.840 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652460808 483790953 /nfs/dbraw/zinc/79/09/53/483790953.db2.gz HILVPHHUKVVKIF-LSDHHAIUSA-N 2 1 367.494 -0.840 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652469007 483792555 /nfs/dbraw/zinc/79/25/55/483792555.db2.gz ZNEFVNYXVJALMT-HNNXBMFYSA-N 2 1 367.494 -0.981 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652469008 483792588 /nfs/dbraw/zinc/79/25/88/483792588.db2.gz ZNEFVNYXVJALMT-OAHLLOKOSA-N 2 1 367.494 -0.981 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486973 483795689 /nfs/dbraw/zinc/79/56/89/483795689.db2.gz JYDYIJFNBFVMPB-HNNXBMFYSA-N 2 1 367.494 -0.840 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486974 483795967 /nfs/dbraw/zinc/79/59/67/483795967.db2.gz JYDYIJFNBFVMPB-OAHLLOKOSA-N 2 1 367.494 -0.840 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000652494219 483796224 /nfs/dbraw/zinc/79/62/24/483796224.db2.gz ZHLKUQUQTKORKJ-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CCCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000652494220 483796391 /nfs/dbraw/zinc/79/63/91/483796391.db2.gz ZHLKUQUQTKORKJ-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652505328 483798038 /nfs/dbraw/zinc/79/80/38/483798038.db2.gz DUMTVQPXIHDJGN-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652505329 483798386 /nfs/dbraw/zinc/79/83/86/483798386.db2.gz DUMTVQPXIHDJGN-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505489 483798062 /nfs/dbraw/zinc/79/80/62/483798062.db2.gz YNSHLAMXMMIWNI-UHFFFAOYSA-N 2 1 369.510 -0.687 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000652612552 483819197 /nfs/dbraw/zinc/81/91/97/483819197.db2.gz VQQHLGGEHLAFBN-HNNXBMFYSA-N 2 1 363.466 -0.127 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000652612553 483818930 /nfs/dbraw/zinc/81/89/30/483818930.db2.gz VQQHLGGEHLAFBN-OAHLLOKOSA-N 2 1 363.466 -0.127 20 0 FBADMP C[NH+](C)CCn1ccc(=NC(=O)C(=O)NCc2ccc(C[NH3+])cc2F)[nH]1 ZINC000652640373 483838405 /nfs/dbraw/zinc/83/84/05/483838405.db2.gz VJNKXZNVAKKKFB-UHFFFAOYSA-N 2 1 362.409 -0.281 20 0 FBADMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000652640882 483839763 /nfs/dbraw/zinc/83/97/63/483839763.db2.gz OYQNDAUUBANVDY-UHFFFAOYSA-N 2 1 358.446 -0.159 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652665467 483871690 /nfs/dbraw/zinc/87/16/90/483871690.db2.gz DMVIOODZWDKZAA-UMVBOHGHSA-N 2 1 352.435 -0.179 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652665468 483871598 /nfs/dbraw/zinc/87/15/98/483871598.db2.gz DMVIOODZWDKZAA-VNHYZAJKSA-N 2 1 352.435 -0.179 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652668891 483878374 /nfs/dbraw/zinc/87/83/74/483878374.db2.gz PIABJVVAHGZTRB-ARFHVFGLSA-N 2 1 370.494 -0.574 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652668892 483878328 /nfs/dbraw/zinc/87/83/28/483878328.db2.gz PIABJVVAHGZTRB-BZUAXINKSA-N 2 1 370.494 -0.574 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652669971 483880188 /nfs/dbraw/zinc/88/01/88/483880188.db2.gz ANBNENNRERWWCX-BZUAXINKSA-N 2 1 370.494 -0.718 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652669972 483880099 /nfs/dbraw/zinc/88/00/99/483880099.db2.gz ANBNENNRERWWCX-OWCLPIDISA-N 2 1 370.494 -0.718 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652670438 483880954 /nfs/dbraw/zinc/88/09/54/483880954.db2.gz RXAKQDPITDNOOC-INIZCTEOSA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652670439 483880929 /nfs/dbraw/zinc/88/09/29/483880929.db2.gz RXAKQDPITDNOOC-MRXNPFEDSA-N 2 1 354.495 -0.035 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673809 483888321 /nfs/dbraw/zinc/88/83/21/483888321.db2.gz AKJUORGQICPTAC-INIZCTEOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673809 483888318 /nfs/dbraw/zinc/88/83/18/483888318.db2.gz AKJUORGQICPTAC-INIZCTEOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673810 483888010 /nfs/dbraw/zinc/88/80/10/483888010.db2.gz AKJUORGQICPTAC-MRXNPFEDSA-N 2 1 365.522 -0.223 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673810 483888008 /nfs/dbraw/zinc/88/80/08/483888008.db2.gz AKJUORGQICPTAC-MRXNPFEDSA-N 2 1 365.522 -0.223 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673829 483887964 /nfs/dbraw/zinc/88/79/64/483887964.db2.gz AYWHTGGLDCASDP-AWEZNQCLSA-N 2 1 351.495 -0.484 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673829 483887962 /nfs/dbraw/zinc/88/79/62/483887962.db2.gz AYWHTGGLDCASDP-AWEZNQCLSA-N 2 1 351.495 -0.484 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673830 483888162 /nfs/dbraw/zinc/88/81/62/483888162.db2.gz AYWHTGGLDCASDP-CQSZACIVSA-N 2 1 351.495 -0.484 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673830 483888159 /nfs/dbraw/zinc/88/81/59/483888159.db2.gz AYWHTGGLDCASDP-CQSZACIVSA-N 2 1 351.495 -0.484 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674278 483888308 /nfs/dbraw/zinc/88/83/08/483888308.db2.gz RGCKKYSFLOVUFF-INIZCTEOSA-N 2 1 365.522 -0.142 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674278 483888307 /nfs/dbraw/zinc/88/83/07/483888307.db2.gz RGCKKYSFLOVUFF-INIZCTEOSA-N 2 1 365.522 -0.142 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674279 483888357 /nfs/dbraw/zinc/88/83/57/483888357.db2.gz RGCKKYSFLOVUFF-MRXNPFEDSA-N 2 1 365.522 -0.142 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674279 483888355 /nfs/dbraw/zinc/88/83/55/483888355.db2.gz RGCKKYSFLOVUFF-MRXNPFEDSA-N 2 1 365.522 -0.142 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674581 483888333 /nfs/dbraw/zinc/88/83/33/483888333.db2.gz AVVRCLNIQNRUGW-DZKIICNBSA-N 2 1 352.479 -0.058 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674582 483888065 /nfs/dbraw/zinc/88/80/65/483888065.db2.gz AVVRCLNIQNRUGW-LZWOXQAQSA-N 2 1 352.479 -0.058 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674583 483887941 /nfs/dbraw/zinc/88/79/41/483887941.db2.gz AVVRCLNIQNRUGW-OFQRWUPVSA-N 2 1 352.479 -0.058 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674584 483888051 /nfs/dbraw/zinc/88/80/51/483888051.db2.gz AVVRCLNIQNRUGW-SQWLQELKSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000652676813 483889201 /nfs/dbraw/zinc/88/92/01/483889201.db2.gz HTKQCBDHDIYBOU-HNNXBMFYSA-N 2 1 353.511 -0.380 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000652676817 483889246 /nfs/dbraw/zinc/88/92/46/483889246.db2.gz HTKQCBDHDIYBOU-OAHLLOKOSA-N 2 1 353.511 -0.380 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000652677187 483889232 /nfs/dbraw/zinc/88/92/32/483889232.db2.gz SLAUKBJZAHMLGE-KRWDZBQOSA-N 2 1 367.538 -0.120 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000652677188 483889344 /nfs/dbraw/zinc/88/93/44/483889344.db2.gz SLAUKBJZAHMLGE-QGZVFWFLSA-N 2 1 367.538 -0.120 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652678885 483895557 /nfs/dbraw/zinc/89/55/57/483895557.db2.gz SIXDUADSSFLXLF-UHFFFAOYSA-N 2 1 353.511 -0.366 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1(C)C ZINC000652679143 483894966 /nfs/dbraw/zinc/89/49/66/483894966.db2.gz YLWIGOULIYZIEF-UHFFFAOYSA-N 2 1 353.511 -0.366 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652681660 483899317 /nfs/dbraw/zinc/89/93/17/483899317.db2.gz QFNZOWLNYDOVEW-HNNXBMFYSA-N 2 1 367.494 -0.804 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652681661 483899305 /nfs/dbraw/zinc/89/93/05/483899305.db2.gz QFNZOWLNYDOVEW-OAHLLOKOSA-N 2 1 367.494 -0.804 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652681790 483899284 /nfs/dbraw/zinc/89/92/84/483899284.db2.gz UOOHSPFCHGUYCD-QZTJIDSGSA-N 2 1 374.485 -0.017 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652681790 483899282 /nfs/dbraw/zinc/89/92/82/483899282.db2.gz UOOHSPFCHGUYCD-QZTJIDSGSA-N 2 1 374.485 -0.017 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652681884 483899089 /nfs/dbraw/zinc/89/90/89/483899089.db2.gz WUNPPKYDHOKBDG-ARFHVFGLSA-N 2 1 370.494 -0.574 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681885 483899514 /nfs/dbraw/zinc/89/95/14/483899514.db2.gz WUNPPKYDHOKBDG-HRCADAONSA-N 2 1 370.494 -0.574 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681886 483899381 /nfs/dbraw/zinc/89/93/81/483899381.db2.gz WUNPPKYDHOKBDG-JYJNAYRXSA-N 2 1 370.494 -0.574 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652681887 483899083 /nfs/dbraw/zinc/89/90/83/483899083.db2.gz WUNPPKYDHOKBDG-XHSDSOJGSA-N 2 1 370.494 -0.574 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C[C@H]1C[NH3+] ZINC000652682079 483899029 /nfs/dbraw/zinc/89/90/29/483899029.db2.gz AQTOFSWYYAOENW-HUUCEWRRSA-N 2 1 351.451 -0.090 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000652682090 483899875 /nfs/dbraw/zinc/89/98/75/483899875.db2.gz BEDIAOJEAPUHDS-DZGCQCFKSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000652682090 483899871 /nfs/dbraw/zinc/89/98/71/483899871.db2.gz BEDIAOJEAPUHDS-DZGCQCFKSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000652682091 483899606 /nfs/dbraw/zinc/89/96/06/483899606.db2.gz BEDIAOJEAPUHDS-HIFRSBDPSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000652682091 483899603 /nfs/dbraw/zinc/89/96/03/483899603.db2.gz BEDIAOJEAPUHDS-HIFRSBDPSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000652682092 483899763 /nfs/dbraw/zinc/89/97/63/483899763.db2.gz BEDIAOJEAPUHDS-UKRRQHHQSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000652682092 483899761 /nfs/dbraw/zinc/89/97/61/483899761.db2.gz BEDIAOJEAPUHDS-UKRRQHHQSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000652682093 483899897 /nfs/dbraw/zinc/89/98/97/483899897.db2.gz BEDIAOJEAPUHDS-ZFWWWQNUSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000652682093 483899895 /nfs/dbraw/zinc/89/98/95/483899895.db2.gz BEDIAOJEAPUHDS-ZFWWWQNUSA-N 2 1 356.467 -0.951 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC000652682336 483900160 /nfs/dbraw/zinc/90/01/60/483900160.db2.gz IFSXAZKGCGISEM-MOTUXRJWSA-N 2 1 352.479 -0.060 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@H]1C[NH3+] ZINC000652684137 483904677 /nfs/dbraw/zinc/90/46/77/483904677.db2.gz GDRZEVYOJLYIIJ-QLFBSQMISA-N 2 1 356.467 -0.964 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@H]1C[NH3+] ZINC000652684138 483904938 /nfs/dbraw/zinc/90/49/38/483904938.db2.gz GDRZEVYOJLYIIJ-RBSFLKMASA-N 2 1 356.467 -0.964 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684378 483906196 /nfs/dbraw/zinc/90/61/96/483906196.db2.gz MRLDTCIRKJOFHX-AWEZNQCLSA-N 2 1 367.494 -0.710 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684379 483905885 /nfs/dbraw/zinc/90/58/85/483905885.db2.gz MRLDTCIRKJOFHX-CQSZACIVSA-N 2 1 367.494 -0.710 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000652688043 483964442 /nfs/dbraw/zinc/96/44/42/483964442.db2.gz UHPZFSDXNKSRSI-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000652688044 483964767 /nfs/dbraw/zinc/96/47/67/483964767.db2.gz UHPZFSDXNKSRSI-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@H]1C[NH3+] ZINC000652691949 483448756 /nfs/dbraw/zinc/44/87/56/483448756.db2.gz DSEQBZOHWKAUPR-FVQBIDKESA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1C[NH3+] ZINC000652691950 483448012 /nfs/dbraw/zinc/44/80/12/483448012.db2.gz DSEQBZOHWKAUPR-VNQPRFMTSA-N 2 1 352.479 -0.058 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693705 483551915 /nfs/dbraw/zinc/55/19/15/483551915.db2.gz BFSRIOHOHLINIL-INIZCTEOSA-N 2 1 367.538 -0.118 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693706 483552639 /nfs/dbraw/zinc/55/26/39/483552639.db2.gz BFSRIOHOHLINIL-MRXNPFEDSA-N 2 1 367.538 -0.118 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694058 483568495 /nfs/dbraw/zinc/56/84/95/483568495.db2.gz NEDSRZMAOZSFLW-HNNXBMFYSA-N 2 1 353.511 -0.379 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694059 483568780 /nfs/dbraw/zinc/56/87/80/483568780.db2.gz NEDSRZMAOZSFLW-OAHLLOKOSA-N 2 1 353.511 -0.379 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000652694232 483723992 /nfs/dbraw/zinc/72/39/92/483723992.db2.gz RSGWONWWAAKSQF-HNNXBMFYSA-N 2 1 353.511 -0.508 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000652694233 483724001 /nfs/dbraw/zinc/72/40/01/483724001.db2.gz RSGWONWWAAKSQF-OAHLLOKOSA-N 2 1 353.511 -0.508 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652706004 484253494 /nfs/dbraw/zinc/25/34/94/484253494.db2.gz SNFQTNWBELMCAI-HNNXBMFYSA-N 2 1 369.510 -0.606 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652706005 484253532 /nfs/dbraw/zinc/25/35/32/484253532.db2.gz SNFQTNWBELMCAI-OAHLLOKOSA-N 2 1 369.510 -0.606 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000652706526 484252327 /nfs/dbraw/zinc/25/23/27/484252327.db2.gz DHQHWGFZBFCTST-JKSUJKDBSA-N 2 1 364.494 -0.233 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710346 484261584 /nfs/dbraw/zinc/26/15/84/484261584.db2.gz OPBDTKZVATUHSQ-INIZCTEOSA-N 2 1 365.522 -0.140 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710347 484261235 /nfs/dbraw/zinc/26/12/35/484261235.db2.gz OPBDTKZVATUHSQ-MRXNPFEDSA-N 2 1 365.522 -0.140 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710523 484259927 /nfs/dbraw/zinc/25/99/27/484259927.db2.gz SBQIIOODMOVYAB-AWEZNQCLSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710524 484259824 /nfs/dbraw/zinc/25/98/24/484259824.db2.gz SBQIIOODMOVYAB-CQSZACIVSA-N 2 1 352.479 -0.057 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711372 484268611 /nfs/dbraw/zinc/26/86/11/484268611.db2.gz PTRDCAVBQNHYJK-HNNXBMFYSA-N 2 1 351.495 -0.530 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711373 484268477 /nfs/dbraw/zinc/26/84/77/484268477.db2.gz PTRDCAVBQNHYJK-OAHLLOKOSA-N 2 1 351.495 -0.530 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714158 484274062 /nfs/dbraw/zinc/27/40/62/484274062.db2.gz FIWOLRBGGIURSH-UHFFFAOYSA-N 2 1 353.511 -0.284 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714158 484274057 /nfs/dbraw/zinc/27/40/57/484274057.db2.gz FIWOLRBGGIURSH-UHFFFAOYSA-N 2 1 353.511 -0.284 20 0 FBADMP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652714283 484275207 /nfs/dbraw/zinc/27/52/07/484275207.db2.gz HVDVOBHKLQOPGB-INIZCTEOSA-N 2 1 365.522 -0.142 20 0 FBADMP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000652714283 484275202 /nfs/dbraw/zinc/27/52/02/484275202.db2.gz HVDVOBHKLQOPGB-INIZCTEOSA-N 2 1 365.522 -0.142 20 0 FBADMP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652714284 484276031 /nfs/dbraw/zinc/27/60/31/484276031.db2.gz HVDVOBHKLQOPGB-MRXNPFEDSA-N 2 1 365.522 -0.142 20 0 FBADMP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000652714284 484276026 /nfs/dbraw/zinc/27/60/26/484276026.db2.gz HVDVOBHKLQOPGB-MRXNPFEDSA-N 2 1 365.522 -0.142 20 0 FBADMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000652719583 484440299 /nfs/dbraw/zinc/44/02/99/484440299.db2.gz GDKDFEUHUIXYSV-UHFFFAOYSA-N 2 1 362.474 -0.063 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652723648 483460456 /nfs/dbraw/zinc/46/04/56/483460456.db2.gz HSZBOHHIBBSSCE-UHFFFAOYSA-N 2 1 367.494 -0.885 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652723722 483464649 /nfs/dbraw/zinc/46/46/49/483464649.db2.gz JODCMVLAYDOLQS-UHFFFAOYSA-N 2 1 354.495 -0.203 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000652723804 483469462 /nfs/dbraw/zinc/46/94/62/483469462.db2.gz MEJAQQGBOJHLEC-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000652723804 483469459 /nfs/dbraw/zinc/46/94/59/483469459.db2.gz MEJAQQGBOJHLEC-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000652723805 483469584 /nfs/dbraw/zinc/46/95/84/483469584.db2.gz MEJAQQGBOJHLEC-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000652723805 483469580 /nfs/dbraw/zinc/46/95/80/483469580.db2.gz MEJAQQGBOJHLEC-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652724130 483473045 /nfs/dbraw/zinc/47/30/45/483473045.db2.gz WLGDDHXPBNNCAH-INIZCTEOSA-N 2 1 352.479 -0.327 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652724131 483473080 /nfs/dbraw/zinc/47/30/80/483473080.db2.gz WLGDDHXPBNNCAH-MRXNPFEDSA-N 2 1 352.479 -0.327 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724174 483473345 /nfs/dbraw/zinc/47/33/45/483473345.db2.gz XSMOWGGUUMMQTN-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724174 483473339 /nfs/dbraw/zinc/47/33/39/483473339.db2.gz XSMOWGGUUMMQTN-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724175 483473743 /nfs/dbraw/zinc/47/37/43/483473743.db2.gz XSMOWGGUUMMQTN-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724175 483473738 /nfs/dbraw/zinc/47/37/38/483473738.db2.gz XSMOWGGUUMMQTN-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724189 483473015 /nfs/dbraw/zinc/47/30/15/483473015.db2.gz YFWYXMZMHOQKHG-KRWDZBQOSA-N 2 1 365.522 -0.269 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724190 483473665 /nfs/dbraw/zinc/47/36/65/483473665.db2.gz YFWYXMZMHOQKHG-QGZVFWFLSA-N 2 1 365.522 -0.269 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000652724911 483472403 /nfs/dbraw/zinc/47/24/03/483472403.db2.gz QHSROPVOOGIFEO-UHFFFAOYSA-N 2 1 352.479 -0.185 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725648 483492927 /nfs/dbraw/zinc/49/29/27/483492927.db2.gz PLDWUOXJHGQXHH-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725648 483492922 /nfs/dbraw/zinc/49/29/22/483492922.db2.gz PLDWUOXJHGQXHH-UHFFFAOYSA-N 2 1 367.538 -0.023 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H]1C[NH3+] ZINC000652728827 483586668 /nfs/dbraw/zinc/58/66/68/483586668.db2.gz CAKLPYBRNARNMC-GDBMZVCRSA-N 2 1 370.494 -0.886 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728902 483592885 /nfs/dbraw/zinc/59/28/85/483592885.db2.gz HFCWZIJEVNLVGZ-KRWDZBQOSA-N 2 1 365.522 -0.188 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728903 483590796 /nfs/dbraw/zinc/59/07/96/483590796.db2.gz HFCWZIJEVNLVGZ-QGZVFWFLSA-N 2 1 365.522 -0.188 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729333 483632950 /nfs/dbraw/zinc/63/29/50/483632950.db2.gz AXYNVQUEOAREEP-KLHDSHLOSA-N 2 1 354.495 -0.003 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729334 483633744 /nfs/dbraw/zinc/63/37/44/483633744.db2.gz AXYNVQUEOAREEP-LVQVYYBASA-N 2 1 354.495 -0.003 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729335 483633836 /nfs/dbraw/zinc/63/38/36/483633836.db2.gz AXYNVQUEOAREEP-XUWVNRHRSA-N 2 1 354.495 -0.003 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729336 483632742 /nfs/dbraw/zinc/63/27/42/483632742.db2.gz AXYNVQUEOAREEP-ZJIFWQFVSA-N 2 1 354.495 -0.003 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000652729773 483675967 /nfs/dbraw/zinc/67/59/67/483675967.db2.gz UOYQWMJNCWQSQE-GDBMZVCRSA-N 2 1 368.478 -0.868 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000652729919 483680225 /nfs/dbraw/zinc/68/02/25/483680225.db2.gz AHVSZGNYALOROF-ARFHVFGLSA-N 2 1 354.495 -0.001 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000652729920 483679542 /nfs/dbraw/zinc/67/95/42/483679542.db2.gz AHVSZGNYALOROF-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730051 483681998 /nfs/dbraw/zinc/68/19/98/483681998.db2.gz GPBKBFHGPVTAAZ-RBSFLKMASA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730051 483681993 /nfs/dbraw/zinc/68/19/93/483681993.db2.gz GPBKBFHGPVTAAZ-RBSFLKMASA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730052 483682400 /nfs/dbraw/zinc/68/24/00/483682400.db2.gz GPBKBFHGPVTAAZ-RRFJBIMHSA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730052 483682398 /nfs/dbraw/zinc/68/23/98/483682398.db2.gz GPBKBFHGPVTAAZ-RRFJBIMHSA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H]1C[NH3+] ZINC000652730354 483684670 /nfs/dbraw/zinc/68/46/70/483684670.db2.gz VEDVFOCPQRBIQI-KLHDSHLOSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H]1C[NH3+] ZINC000652730355 483684615 /nfs/dbraw/zinc/68/46/15/483684615.db2.gz VEDVFOCPQRBIQI-LVQVYYBASA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C[C@H]1C[NH3+] ZINC000652730356 483684743 /nfs/dbraw/zinc/68/47/43/483684743.db2.gz VEDVFOCPQRBIQI-XUWVNRHRSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C[C@H]1C[NH3+] ZINC000652730357 483684482 /nfs/dbraw/zinc/68/44/82/483684482.db2.gz VEDVFOCPQRBIQI-ZJIFWQFVSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652730404 483684551 /nfs/dbraw/zinc/68/45/51/483684551.db2.gz XWXXLFNDBAXKKT-BRWVUGGUSA-N 2 1 366.506 -0.001 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652730405 483684253 /nfs/dbraw/zinc/68/42/53/483684253.db2.gz XWXXLFNDBAXKKT-GVDBMIGSSA-N 2 1 366.506 -0.001 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730532 483685471 /nfs/dbraw/zinc/68/54/71/483685471.db2.gz FJPVQJXECGMBHH-KLHDSHLOSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730533 483685415 /nfs/dbraw/zinc/68/54/15/483685415.db2.gz FJPVQJXECGMBHH-LVQVYYBASA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730534 483685183 /nfs/dbraw/zinc/68/51/83/483685183.db2.gz FJPVQJXECGMBHH-XUWVNRHRSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730535 483685441 /nfs/dbraw/zinc/68/54/41/483685441.db2.gz FJPVQJXECGMBHH-ZJIFWQFVSA-N 2 1 352.479 -0.249 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652730574 483685357 /nfs/dbraw/zinc/68/53/57/483685357.db2.gz GXRJAFHGXPADRG-RBSFLKMASA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652730574 483685354 /nfs/dbraw/zinc/68/53/54/483685354.db2.gz GXRJAFHGXPADRG-RBSFLKMASA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652730575 483684997 /nfs/dbraw/zinc/68/49/97/483684997.db2.gz GXRJAFHGXPADRG-RRFJBIMHSA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652730575 483684994 /nfs/dbraw/zinc/68/49/94/483684994.db2.gz GXRJAFHGXPADRG-RRFJBIMHSA-N 2 1 370.494 -0.888 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2C)C[C@H]1C[NH3+] ZINC000652730950 483686822 /nfs/dbraw/zinc/68/68/22/483686822.db2.gz WQJXRZVNGZLTCX-HUUCEWRRSA-N 2 1 351.451 -0.138 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000652733262 483759558 /nfs/dbraw/zinc/75/95/58/483759558.db2.gz CIADYXHUHYECFX-UHFFFAOYSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000652733262 483759556 /nfs/dbraw/zinc/75/95/56/483759556.db2.gz CIADYXHUHYECFX-UHFFFAOYSA-N 2 1 370.494 -0.872 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C[NH3+] ZINC000652733608 483764927 /nfs/dbraw/zinc/76/49/27/483764927.db2.gz LLEQPOOOZAQTFI-HUUCEWRRSA-N 2 1 370.494 -0.622 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734408 483780337 /nfs/dbraw/zinc/78/03/37/483780337.db2.gz JVTPBDGWTKYMGJ-ALYAQQCSSA-N 2 1 364.490 -0.106 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734409 483780403 /nfs/dbraw/zinc/78/04/03/483780403.db2.gz JVTPBDGWTKYMGJ-BPKGMFCQSA-N 2 1 364.490 -0.106 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734410 483780073 /nfs/dbraw/zinc/78/00/73/483780073.db2.gz JVTPBDGWTKYMGJ-JSRQGNBESA-N 2 1 364.490 -0.106 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734411 483780111 /nfs/dbraw/zinc/78/01/11/483780111.db2.gz JVTPBDGWTKYMGJ-XAJHFOFHSA-N 2 1 364.490 -0.106 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000652735827 483790320 /nfs/dbraw/zinc/79/03/20/483790320.db2.gz VCZARESPPTYUTA-FQEVSTJZSA-N 2 1 374.485 -0.144 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000652735828 483790823 /nfs/dbraw/zinc/79/08/23/483790823.db2.gz VCZARESPPTYUTA-HXUWFJFHSA-N 2 1 374.485 -0.144 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C[NH3+] ZINC000652736715 483799216 /nfs/dbraw/zinc/79/92/16/483799216.db2.gz NJDULVVLTYNEJO-IIDMSEBBSA-N 2 1 352.479 -0.247 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C[NH3+] ZINC000652736716 483799184 /nfs/dbraw/zinc/79/91/84/483799184.db2.gz NJDULVVLTYNEJO-RKVPGOIHSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888959 484488086 /nfs/dbraw/zinc/48/80/86/484488086.db2.gz ADALKEZBOYRICP-BFYDXBDKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888959 484488078 /nfs/dbraw/zinc/48/80/78/484488078.db2.gz ADALKEZBOYRICP-BFYDXBDKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888959 484488072 /nfs/dbraw/zinc/48/80/72/484488072.db2.gz ADALKEZBOYRICP-BFYDXBDKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888959 484488063 /nfs/dbraw/zinc/48/80/63/484488063.db2.gz ADALKEZBOYRICP-BFYDXBDKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888960 484489203 /nfs/dbraw/zinc/48/92/03/484489203.db2.gz ADALKEZBOYRICP-HLLBOEOZSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888960 484489200 /nfs/dbraw/zinc/48/92/00/484489200.db2.gz ADALKEZBOYRICP-HLLBOEOZSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888960 484489198 /nfs/dbraw/zinc/48/91/98/484489198.db2.gz ADALKEZBOYRICP-HLLBOEOZSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888960 484489193 /nfs/dbraw/zinc/48/91/93/484489193.db2.gz ADALKEZBOYRICP-HLLBOEOZSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888961 484489159 /nfs/dbraw/zinc/48/91/59/484489159.db2.gz ADALKEZBOYRICP-YQQAZPJKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888961 484489155 /nfs/dbraw/zinc/48/91/55/484489155.db2.gz ADALKEZBOYRICP-YQQAZPJKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888961 484489152 /nfs/dbraw/zinc/48/91/52/484489152.db2.gz ADALKEZBOYRICP-YQQAZPJKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888961 484489149 /nfs/dbraw/zinc/48/91/49/484489149.db2.gz ADALKEZBOYRICP-YQQAZPJKSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888962 484488325 /nfs/dbraw/zinc/48/83/25/484488325.db2.gz ADALKEZBOYRICP-ZMSDIMECSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888962 484488318 /nfs/dbraw/zinc/48/83/18/484488318.db2.gz ADALKEZBOYRICP-ZMSDIMECSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888962 484488313 /nfs/dbraw/zinc/48/83/13/484488313.db2.gz ADALKEZBOYRICP-ZMSDIMECSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652888962 484488308 /nfs/dbraw/zinc/48/83/08/484488308.db2.gz ADALKEZBOYRICP-ZMSDIMECSA-N 2 1 364.490 -0.403 20 0 FBADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890035 484489173 /nfs/dbraw/zinc/48/91/73/484489173.db2.gz MTXBTYJHNUFCCQ-QGZVFWFLSA-N 2 1 359.474 -0.129 20 0 FBADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890035 484489168 /nfs/dbraw/zinc/48/91/68/484489168.db2.gz MTXBTYJHNUFCCQ-QGZVFWFLSA-N 2 1 359.474 -0.129 20 0 FBADMP COCC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC000652926312 484219263 /nfs/dbraw/zinc/21/92/63/484219263.db2.gz UUFZNAVKTVVHKE-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC000652926313 484219442 /nfs/dbraw/zinc/21/94/42/484219442.db2.gz UUFZNAVKTVVHKE-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000653017969 484502060 /nfs/dbraw/zinc/50/20/60/484502060.db2.gz FSTQDNONTUPIQJ-CYBMUJFWSA-N 2 1 364.498 -0.162 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000653017970 484502219 /nfs/dbraw/zinc/50/22/19/484502219.db2.gz FSTQDNONTUPIQJ-ZDUSSCGKSA-N 2 1 364.498 -0.162 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653109031 483600068 /nfs/dbraw/zinc/60/00/68/483600068.db2.gz QCPQBXURNPIFRH-PXNSSMCTSA-N 2 1 372.469 -0.074 20 0 FBADMP C[NH+](C)CC[C@H](N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115163 483608980 /nfs/dbraw/zinc/60/89/80/483608980.db2.gz FSGDJXWMNLZSDX-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP C[NH+](C)CC[C@@H](N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115164 483608968 /nfs/dbraw/zinc/60/89/68/483608968.db2.gz FSGDJXWMNLZSDX-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115770 483609793 /nfs/dbraw/zinc/60/97/93/483609793.db2.gz ZGXQBDCGJRLOHZ-PXNSSMCTSA-N 2 1 372.469 -0.317 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC000653117822 483612366 /nfs/dbraw/zinc/61/23/66/483612366.db2.gz WRSRMVTVICHDLS-LPHOPBHVSA-N 2 1 364.490 -0.375 20 0 FBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120671 483612792 /nfs/dbraw/zinc/61/27/92/483612792.db2.gz WVCCXJAHMONMEM-BXWFABGCSA-N 2 1 359.474 -0.056 20 0 FBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120672 483613494 /nfs/dbraw/zinc/61/34/94/483613494.db2.gz WVCCXJAHMONMEM-GJYPPUQNSA-N 2 1 359.474 -0.056 20 0 FBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123680 483614892 /nfs/dbraw/zinc/61/48/92/483614892.db2.gz DGKXYXZQAYQJNQ-YJBOKZPZSA-N 2 1 360.462 -0.659 20 0 FBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124834 483614560 /nfs/dbraw/zinc/61/45/60/483614560.db2.gz INNZHTDWHMOPCL-LPHOPBHVSA-N 2 1 359.474 -0.054 20 0 FBADMP [NH3+]CC1(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000653222982 483840783 /nfs/dbraw/zinc/84/07/83/483840783.db2.gz YEGDXSFPUKUURX-HNNXBMFYSA-N 2 1 352.479 -0.055 20 0 FBADMP [NH3+]CC1(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000653222983 483840801 /nfs/dbraw/zinc/84/08/01/483840801.db2.gz YEGDXSFPUKUURX-OAHLLOKOSA-N 2 1 352.479 -0.055 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340154 483909855 /nfs/dbraw/zinc/90/98/55/483909855.db2.gz BYCQBMOLDXZMHW-INIZCTEOSA-N 2 1 368.526 -0.572 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340155 483909581 /nfs/dbraw/zinc/90/95/81/483909581.db2.gz BYCQBMOLDXZMHW-MRXNPFEDSA-N 2 1 368.526 -0.572 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000653367979 483818283 /nfs/dbraw/zinc/81/82/83/483818283.db2.gz DJCAZIZJTZURMS-UHFFFAOYSA-N 2 1 369.510 -0.639 20 0 FBADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000653367979 483818280 /nfs/dbraw/zinc/81/82/80/483818280.db2.gz DJCAZIZJTZURMS-UHFFFAOYSA-N 2 1 369.510 -0.639 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000653368280 483818668 /nfs/dbraw/zinc/81/86/68/483818668.db2.gz OPLCKICLEDPBSA-UHFFFAOYSA-N 2 1 367.494 -0.789 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369907 483821634 /nfs/dbraw/zinc/82/16/34/483821634.db2.gz ZLVXWMNNBSBAOI-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369908 483821734 /nfs/dbraw/zinc/82/17/34/483821734.db2.gz ZLVXWMNNBSBAOI-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000653372620 483822878 /nfs/dbraw/zinc/82/28/78/483822878.db2.gz PBUIXFZDHWFLFA-UHFFFAOYSA-N 2 1 369.510 -0.593 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000653372620 483822876 /nfs/dbraw/zinc/82/28/76/483822876.db2.gz PBUIXFZDHWFLFA-UHFFFAOYSA-N 2 1 369.510 -0.593 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653372711 483823177 /nfs/dbraw/zinc/82/31/77/483823177.db2.gz RRKQCGCYVYBPIE-UHFFFAOYSA-N 2 1 367.494 -0.743 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653385782 483842507 /nfs/dbraw/zinc/84/25/07/483842507.db2.gz GRLAPBIXEZXKJD-UHFFFAOYSA-N 2 1 355.483 -0.933 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388807 483846911 /nfs/dbraw/zinc/84/69/11/483846911.db2.gz MHOYGZUSJKDAKR-AWEZNQCLSA-N 2 1 355.483 -0.935 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388808 483846851 /nfs/dbraw/zinc/84/68/51/483846851.db2.gz MHOYGZUSJKDAKR-CQSZACIVSA-N 2 1 355.483 -0.935 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390070 483850414 /nfs/dbraw/zinc/85/04/14/483850414.db2.gz RJAMCDDBBCNKJK-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390071 483850315 /nfs/dbraw/zinc/85/03/15/483850315.db2.gz RJAMCDDBBCNKJK-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O ZINC000653392257 483851141 /nfs/dbraw/zinc/85/11/41/483851141.db2.gz XJMUNIRIEXZCGT-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC000653398861 483868624 /nfs/dbraw/zinc/86/86/24/483868624.db2.gz SPZXMDSFAFSTTH-MIGQKNRLSA-N 2 1 350.463 -0.293 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC000653398861 483868621 /nfs/dbraw/zinc/86/86/21/483868621.db2.gz SPZXMDSFAFSTTH-MIGQKNRLSA-N 2 1 350.463 -0.293 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC000653398862 483868886 /nfs/dbraw/zinc/86/88/86/483868886.db2.gz SPZXMDSFAFSTTH-XZDPQHSOSA-N 2 1 350.463 -0.293 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC000653398862 483868884 /nfs/dbraw/zinc/86/88/84/483868884.db2.gz SPZXMDSFAFSTTH-XZDPQHSOSA-N 2 1 350.463 -0.293 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653415003 483899731 /nfs/dbraw/zinc/89/97/31/483899731.db2.gz GMOOOCLORZKDNV-UHFFFAOYSA-N 2 1 355.483 -0.933 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O ZINC000653431753 484237208 /nfs/dbraw/zinc/23/72/08/484237208.db2.gz QHWRDSLCIZZTLG-UHFFFAOYSA-N 2 1 367.494 -0.791 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000653432718 484248037 /nfs/dbraw/zinc/24/80/37/484248037.db2.gz RJSWXXUGRHEKNV-HNNXBMFYSA-N 2 1 367.494 -0.933 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000653432719 484247514 /nfs/dbraw/zinc/24/75/14/484247514.db2.gz RJSWXXUGRHEKNV-OAHLLOKOSA-N 2 1 367.494 -0.933 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824242 484260227 /nfs/dbraw/zinc/26/02/27/484260227.db2.gz CYXVLCOMCURHHX-BBWFWOEESA-N 2 1 354.495 -0.790 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824242 484260220 /nfs/dbraw/zinc/26/02/20/484260220.db2.gz CYXVLCOMCURHHX-BBWFWOEESA-N 2 1 354.495 -0.790 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824242 484260213 /nfs/dbraw/zinc/26/02/13/484260213.db2.gz CYXVLCOMCURHHX-BBWFWOEESA-N 2 1 354.495 -0.790 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824243 484260564 /nfs/dbraw/zinc/26/05/64/484260564.db2.gz CYXVLCOMCURHHX-GVDBMIGSSA-N 2 1 354.495 -0.790 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824243 484260559 /nfs/dbraw/zinc/26/05/59/484260559.db2.gz CYXVLCOMCURHHX-GVDBMIGSSA-N 2 1 354.495 -0.790 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824243 484260552 /nfs/dbraw/zinc/26/05/52/484260552.db2.gz CYXVLCOMCURHHX-GVDBMIGSSA-N 2 1 354.495 -0.790 20 0 FBADMP O=C(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000653826261 484287837 /nfs/dbraw/zinc/28/78/37/484287837.db2.gz YWCZGFVZUNUXSK-DLBZAZTESA-N 2 1 359.474 -0.129 20 0 FBADMP CC(CCN1CC[NH+]2C[C@H](O)C[C@H]2C1)CC[N@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290910 /nfs/dbraw/zinc/29/09/10/484290910.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 1 366.550 -0.096 20 0 FBADMP CC(CCN1CC[NH+]2C[C@H](O)C[C@H]2C1)CC[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290899 /nfs/dbraw/zinc/29/08/99/484290899.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 1 366.550 -0.096 20 0 FBADMP CC(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)CC[NH+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290895 /nfs/dbraw/zinc/29/08/95/484290895.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 1 366.550 -0.096 20 0 FBADMP CC(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC[NH+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290886 /nfs/dbraw/zinc/29/08/86/484290886.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 1 366.550 -0.096 20 0 FBADMP CC(CCN1CC[NH+]2C[C@H](O)C[C@H]2C1)CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290875 /nfs/dbraw/zinc/29/08/75/484290875.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 1 366.550 -0.096 20 0 FBADMP O[C@@H]1C[C@H]2CN(CCCCCN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829648 484289335 /nfs/dbraw/zinc/28/93/35/484289335.db2.gz PQZOJWYJMBDUMT-INDMIFKZSA-N 2 1 352.523 -0.342 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cn2)CC1 ZINC000654362135 484229858 /nfs/dbraw/zinc/22/98/58/484229858.db2.gz HVTHTGNLHLNDRY-DLBZAZTESA-N 2 1 374.489 -0.206 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000654364228 484234661 /nfs/dbraw/zinc/23/46/61/484234661.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 2 1 353.511 -0.281 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000654364228 484234655 /nfs/dbraw/zinc/23/46/55/484234655.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 2 1 353.511 -0.281 20 0 FBADMP CC(C)[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000654364228 484234650 /nfs/dbraw/zinc/23/46/50/484234650.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 2 1 353.511 -0.281 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000654364229 484233830 /nfs/dbraw/zinc/23/38/30/484233830.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 2 1 353.511 -0.281 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000654364229 484233823 /nfs/dbraw/zinc/23/38/23/484233823.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 2 1 353.511 -0.281 20 0 FBADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000654364229 484233819 /nfs/dbraw/zinc/23/38/19/484233819.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 2 1 353.511 -0.281 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccn2)CC1 ZINC000654369635 484236918 /nfs/dbraw/zinc/23/69/18/484236918.db2.gz PXBKBVMWVNGNBL-DLBZAZTESA-N 2 1 374.489 -0.206 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654377733 484248396 /nfs/dbraw/zinc/24/83/96/484248396.db2.gz VRCUBIBODAYYIX-DLBZAZTESA-N 2 1 353.511 -0.136 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654377733 484248387 /nfs/dbraw/zinc/24/83/87/484248387.db2.gz VRCUBIBODAYYIX-DLBZAZTESA-N 2 1 353.511 -0.136 20 0 FBADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654377733 484248381 /nfs/dbraw/zinc/24/83/81/484248381.db2.gz VRCUBIBODAYYIX-DLBZAZTESA-N 2 1 353.511 -0.136 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654379207 484245893 /nfs/dbraw/zinc/24/58/93/484245893.db2.gz RMSAMRMTZZNLDA-JKSUJKDBSA-N 2 1 367.494 -0.563 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654379207 484245886 /nfs/dbraw/zinc/24/58/86/484245886.db2.gz RMSAMRMTZZNLDA-JKSUJKDBSA-N 2 1 367.494 -0.563 20 0 FBADMP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654406238 484269034 /nfs/dbraw/zinc/26/90/34/484269034.db2.gz PIUGXHBNMDHLRH-DLBZAZTESA-N 2 1 374.489 -0.206 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278302 /nfs/dbraw/zinc/27/83/02/484278302.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278297 /nfs/dbraw/zinc/27/82/97/484278297.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278293 /nfs/dbraw/zinc/27/82/93/484278293.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278240 /nfs/dbraw/zinc/27/82/40/484278240.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278235 /nfs/dbraw/zinc/27/82/35/484278235.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278231 /nfs/dbraw/zinc/27/82/31/484278231.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 2 1 367.494 -0.611 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654436399 484290479 /nfs/dbraw/zinc/29/04/79/484290479.db2.gz UEPSJRKCNDGYSL-JKSUJKDBSA-N 2 1 367.494 -0.611 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297430 /nfs/dbraw/zinc/29/74/30/484297430.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 1 351.495 -0.385 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297422 /nfs/dbraw/zinc/29/74/22/484297422.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297418 /nfs/dbraw/zinc/29/74/18/484297418.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297412 /nfs/dbraw/zinc/29/74/12/484297412.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297405 /nfs/dbraw/zinc/29/74/05/484297405.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 1 351.495 -0.385 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297129 /nfs/dbraw/zinc/29/71/29/484297129.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 1 351.495 -0.385 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297125 /nfs/dbraw/zinc/29/71/25/484297125.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297117 /nfs/dbraw/zinc/29/71/17/484297117.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297112 /nfs/dbraw/zinc/29/71/12/484297112.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 1 351.495 -0.385 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297104 /nfs/dbraw/zinc/29/71/04/484297104.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 1 351.495 -0.385 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654450053 484300236 /nfs/dbraw/zinc/30/02/36/484300236.db2.gz YSTSXNLMWYJXCC-BHYGNILZSA-N 2 1 352.479 -0.052 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654450054 484300296 /nfs/dbraw/zinc/30/02/96/484300296.db2.gz YSTSXNLMWYJXCC-HYVNUMGLSA-N 2 1 352.479 -0.052 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300798 /nfs/dbraw/zinc/30/07/98/484300798.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300795 /nfs/dbraw/zinc/30/07/95/484300795.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300791 /nfs/dbraw/zinc/30/07/91/484300791.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300531 /nfs/dbraw/zinc/30/05/31/484300531.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300520 /nfs/dbraw/zinc/30/05/20/484300520.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 2 1 353.467 -0.966 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300511 /nfs/dbraw/zinc/30/05/11/484300511.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 2 1 353.467 -0.966 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461058 484305372 /nfs/dbraw/zinc/30/53/72/484305372.db2.gz JZBXQYSBKHTUEH-IXDOHACOSA-N 2 1 353.511 -0.280 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461058 484305367 /nfs/dbraw/zinc/30/53/67/484305367.db2.gz JZBXQYSBKHTUEH-IXDOHACOSA-N 2 1 353.511 -0.280 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461058 484305360 /nfs/dbraw/zinc/30/53/60/484305360.db2.gz JZBXQYSBKHTUEH-IXDOHACOSA-N 2 1 353.511 -0.280 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461059 484305405 /nfs/dbraw/zinc/30/54/05/484305405.db2.gz JZBXQYSBKHTUEH-YESZJQIVSA-N 2 1 353.511 -0.280 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461059 484305401 /nfs/dbraw/zinc/30/54/01/484305401.db2.gz JZBXQYSBKHTUEH-YESZJQIVSA-N 2 1 353.511 -0.280 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461059 484305398 /nfs/dbraw/zinc/30/53/98/484305398.db2.gz JZBXQYSBKHTUEH-YESZJQIVSA-N 2 1 353.511 -0.280 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496030 484323249 /nfs/dbraw/zinc/32/32/49/484323249.db2.gz HXZMUGUXZXQFKG-HZMVEIRTSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496031 484323637 /nfs/dbraw/zinc/32/36/37/484323637.db2.gz HXZMUGUXZXQFKG-VVLHAWIVSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496032 484323191 /nfs/dbraw/zinc/32/31/91/484323191.db2.gz HXZMUGUXZXQFKG-YLFCFFPRSA-N 2 1 352.479 -0.175 20 0 FBADMP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496033 484323310 /nfs/dbraw/zinc/32/33/10/484323310.db2.gz HXZMUGUXZXQFKG-YVSFHVDLSA-N 2 1 352.479 -0.175 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000654512284 484326640 /nfs/dbraw/zinc/32/66/40/484326640.db2.gz UJQPKLDZKWHEQL-JKSUJKDBSA-N 2 1 363.462 -0.018 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654589794 484344312 /nfs/dbraw/zinc/34/43/12/484344312.db2.gz YCANQTUZBQQLAJ-JKSUJKDBSA-N 2 1 368.478 -0.672 20 0 FBADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654589794 484344301 /nfs/dbraw/zinc/34/43/01/484344301.db2.gz YCANQTUZBQQLAJ-JKSUJKDBSA-N 2 1 368.478 -0.672 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655253 484358586 /nfs/dbraw/zinc/35/85/86/484358586.db2.gz FDTOJKMUFRUGGI-HRCADAONSA-N 2 1 369.510 -0.101 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655253 484358582 /nfs/dbraw/zinc/35/85/82/484358582.db2.gz FDTOJKMUFRUGGI-HRCADAONSA-N 2 1 369.510 -0.101 20 0 FBADMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655254 484357599 /nfs/dbraw/zinc/35/75/99/484357599.db2.gz FDTOJKMUFRUGGI-OAGGEKHMSA-N 2 1 369.510 -0.101 20 0 FBADMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655254 484357593 /nfs/dbraw/zinc/35/75/93/484357593.db2.gz FDTOJKMUFRUGGI-OAGGEKHMSA-N 2 1 369.510 -0.101 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679081 484365276 /nfs/dbraw/zinc/36/52/76/484365276.db2.gz NNLYBLSWCJZBLX-HNNXBMFYSA-N 2 1 352.483 -0.235 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679082 484365289 /nfs/dbraw/zinc/36/52/89/484365289.db2.gz NNLYBLSWCJZBLX-OAHLLOKOSA-N 2 1 352.483 -0.235 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000654799410 484423434 /nfs/dbraw/zinc/42/34/34/484423434.db2.gz JPHQIANPQYEHCY-INIZCTEOSA-N 2 1 364.494 -0.419 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000654799411 484423704 /nfs/dbraw/zinc/42/37/04/484423704.db2.gz JPHQIANPQYEHCY-MRXNPFEDSA-N 2 1 364.494 -0.419 20 0 FBADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907316 484455468 /nfs/dbraw/zinc/45/54/68/484455468.db2.gz ASMHTQZQMBSTLC-LSDHHAIUSA-N 2 1 356.386 -0.517 20 0 FBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907553 484456747 /nfs/dbraw/zinc/45/67/47/484456747.db2.gz KRPJNXALRLEFRL-UONOGXRCSA-N 2 1 356.386 -0.517 20 0 FBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907553 484456743 /nfs/dbraw/zinc/45/67/43/484456743.db2.gz KRPJNXALRLEFRL-UONOGXRCSA-N 2 1 356.386 -0.517 20 0 FBADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907811 484456718 /nfs/dbraw/zinc/45/67/18/484456718.db2.gz YDLVJUAIGSNUJQ-UONOGXRCSA-N 2 1 356.386 -0.517 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)CO)CC3)CC2)CC1 ZINC000654967995 484475295 /nfs/dbraw/zinc/47/52/95/484475295.db2.gz LPCCCDSCOBDHJT-UHFFFAOYSA-N 2 1 366.506 -0.154 20 0 FBADMP CCN1CCC([N@H+]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)CC2)CC1 ZINC000655152412 484492527 /nfs/dbraw/zinc/49/25/27/484492527.db2.gz NYKAOFWQAYOQCW-UHFFFAOYSA-N 2 1 364.494 -0.091 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615246 /nfs/dbraw/zinc/61/52/46/483615246.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615242 /nfs/dbraw/zinc/61/52/42/483615242.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615238 /nfs/dbraw/zinc/61/52/38/483615238.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615772 /nfs/dbraw/zinc/61/57/72/483615772.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615766 /nfs/dbraw/zinc/61/57/66/483615766.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615762 /nfs/dbraw/zinc/61/57/62/483615762.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614871 /nfs/dbraw/zinc/61/48/71/483614871.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614866 /nfs/dbraw/zinc/61/48/66/483614866.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614863 /nfs/dbraw/zinc/61/48/63/483614863.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615652 /nfs/dbraw/zinc/61/56/52/483615652.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615649 /nfs/dbraw/zinc/61/56/49/483615649.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 2 1 364.490 -0.403 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615641 /nfs/dbraw/zinc/61/56/41/483615641.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 2 1 364.490 -0.403 20 0 FBADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297702 483636845 /nfs/dbraw/zinc/63/68/45/483636845.db2.gz QILYOGGSWSFBCG-DLBZAZTESA-N 2 1 359.474 -0.129 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648374 484088727 /nfs/dbraw/zinc/08/87/27/484088727.db2.gz OGAPCVILSAZUAR-LSDHHAIUSA-N 2 1 371.507 -0.499 20 0 FBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648374 484088722 /nfs/dbraw/zinc/08/87/22/484088722.db2.gz OGAPCVILSAZUAR-LSDHHAIUSA-N 2 1 371.507 -0.499 20 0 FBADMP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655714418 484510079 /nfs/dbraw/zinc/51/00/79/484510079.db2.gz CRIGHGXSVPMZNG-KRWDZBQOSA-N 2 1 374.551 -0.203 20 0 FBADMP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655714419 484510089 /nfs/dbraw/zinc/51/00/89/484510089.db2.gz CRIGHGXSVPMZNG-QGZVFWFLSA-N 2 1 374.551 -0.203 20 0 FBADMP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655717166 484517982 /nfs/dbraw/zinc/51/79/82/484517982.db2.gz WFVNZGFLUZUVGS-INIZCTEOSA-N 2 1 360.524 -0.594 20 0 FBADMP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655717167 484517638 /nfs/dbraw/zinc/51/76/38/484517638.db2.gz WFVNZGFLUZUVGS-MRXNPFEDSA-N 2 1 360.524 -0.594 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919899 484518255 /nfs/dbraw/zinc/51/82/55/484518255.db2.gz GKHFGZQMBQSUKY-GHMZBOCLSA-N 2 1 351.373 -0.176 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919902 484517592 /nfs/dbraw/zinc/51/75/92/484517592.db2.gz GKHFGZQMBQSUKY-MNOVXSKESA-N 2 1 351.373 -0.176 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919904 484518190 /nfs/dbraw/zinc/51/81/90/484518190.db2.gz GKHFGZQMBQSUKY-QWRGUYRKSA-N 2 1 351.373 -0.176 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919907 484518199 /nfs/dbraw/zinc/51/81/99/484518199.db2.gz GKHFGZQMBQSUKY-WDEREUQCSA-N 2 1 351.373 -0.176 20 0 FBADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956130 484521986 /nfs/dbraw/zinc/52/19/86/484521986.db2.gz MOUVJBNFBBABNR-LSDHHAIUSA-N 2 1 360.414 -0.616 20 0 FBADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956341 484521435 /nfs/dbraw/zinc/52/14/35/484521435.db2.gz WBIYQQZIZRSFQI-QWHCGFSZSA-N 2 1 362.405 -0.313 20 0 FBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967459 484522458 /nfs/dbraw/zinc/52/24/58/484522458.db2.gz WARWATZJDCHXRK-XQQFMLRXSA-N 2 1 365.400 -0.717 20 0 FBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967460 484522428 /nfs/dbraw/zinc/52/24/28/484522428.db2.gz WARWATZJDCHXRK-YNEHKIRRSA-N 2 1 365.400 -0.717 20 0 FBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967796 484522505 /nfs/dbraw/zinc/52/25/05/484522505.db2.gz DXUYSKBPXVLVFE-SJJHQCBESA-N 2 1 351.495 -0.337 20 0 FBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967796 484522498 /nfs/dbraw/zinc/52/24/98/484522498.db2.gz DXUYSKBPXVLVFE-SJJHQCBESA-N 2 1 351.495 -0.337 20 0 FBADMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967796 484522493 /nfs/dbraw/zinc/52/24/93/484522493.db2.gz DXUYSKBPXVLVFE-SJJHQCBESA-N 2 1 351.495 -0.337 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656020029 484541288 /nfs/dbraw/zinc/54/12/88/484541288.db2.gz KSZJWXPGKOHITQ-CVEARBPZSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656020030 484540461 /nfs/dbraw/zinc/54/04/61/484540461.db2.gz KSZJWXPGKOHITQ-HOTGVXAUSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656020031 484540671 /nfs/dbraw/zinc/54/06/71/484540671.db2.gz KSZJWXPGKOHITQ-HZPDHXFCSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656020032 484540749 /nfs/dbraw/zinc/54/07/49/484540749.db2.gz KSZJWXPGKOHITQ-JKSUJKDBSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023677 484542627 /nfs/dbraw/zinc/54/26/27/484542627.db2.gz CRUJIKHHAIODFX-JKSUJKDBSA-N 2 1 352.479 -0.308 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027987 484543691 /nfs/dbraw/zinc/54/36/91/484543691.db2.gz GQOVGLYVGZKOOB-HZMVEIRTSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027988 484543443 /nfs/dbraw/zinc/54/34/43/484543443.db2.gz GQOVGLYVGZKOOB-VVLHAWIVSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027989 484544574 /nfs/dbraw/zinc/54/45/74/484544574.db2.gz GQOVGLYVGZKOOB-YLFCFFPRSA-N 2 1 374.489 -0.194 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027990 484543567 /nfs/dbraw/zinc/54/35/67/484543567.db2.gz GQOVGLYVGZKOOB-YVSFHVDLSA-N 2 1 374.489 -0.194 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029181 484544540 /nfs/dbraw/zinc/54/45/40/484544540.db2.gz WGZQYAAXCFMIRC-FXUDXRNXSA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029182 484544189 /nfs/dbraw/zinc/54/41/89/484544189.db2.gz WGZQYAAXCFMIRC-KLHDSHLOSA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029183 484544286 /nfs/dbraw/zinc/54/42/86/484544286.db2.gz WGZQYAAXCFMIRC-LVQVYYBASA-N 2 1 352.479 -0.058 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029184 484543269 /nfs/dbraw/zinc/54/32/69/484543269.db2.gz WGZQYAAXCFMIRC-QKPAOTATSA-N 2 1 352.479 -0.058 20 0 FBADMP O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000656059356 484548077 /nfs/dbraw/zinc/54/80/77/484548077.db2.gz QZAWOJIZGVLQRJ-LSDHHAIUSA-N 2 1 359.430 -0.992 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCCC2)CC1 ZINC000656062917 484549275 /nfs/dbraw/zinc/54/92/75/484549275.db2.gz UTAAKUUNHVSSMV-JKSUJKDBSA-N 2 1 350.463 -0.649 20 0 FBADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656064731 484552110 /nfs/dbraw/zinc/55/21/10/484552110.db2.gz WAZVPYUHKCEGDJ-DLBZAZTESA-N 2 1 366.506 -0.156 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656065463 484549852 /nfs/dbraw/zinc/54/98/52/484549852.db2.gz AMJCCMHDROTGBZ-WOVMCDHWSA-N 3 1 367.538 -0.073 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656065463 484549846 /nfs/dbraw/zinc/54/98/46/484549846.db2.gz AMJCCMHDROTGBZ-WOVMCDHWSA-N 2 1 367.538 -0.073 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000656066162 484549695 /nfs/dbraw/zinc/54/96/95/484549695.db2.gz XJXWVOQGNPRHNC-JKSUJKDBSA-N 2 1 373.457 -0.684 20 0 FBADMP Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000656066162 484549689 /nfs/dbraw/zinc/54/96/89/484549689.db2.gz XJXWVOQGNPRHNC-JKSUJKDBSA-N 2 1 373.457 -0.684 20 0 FBADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656066498 484550961 /nfs/dbraw/zinc/55/09/61/484550961.db2.gz CBFMVDASDABZOK-JKSUJKDBSA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656066783 484551697 /nfs/dbraw/zinc/55/16/97/484551697.db2.gz ILFUISQZRWCYIY-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000656066807 484551904 /nfs/dbraw/zinc/55/19/04/484551904.db2.gz JBMKKLCWVHDVQR-IXDOHACOSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000656066808 484551633 /nfs/dbraw/zinc/55/16/33/484551633.db2.gz JBMKKLCWVHDVQR-YESZJQIVSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000656066851 484550997 /nfs/dbraw/zinc/55/09/97/484550997.db2.gz MUDDALRLFUASGV-HRCADAONSA-N 2 1 350.463 -0.649 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000656066852 484551455 /nfs/dbraw/zinc/55/14/55/484551455.db2.gz MUDDALRLFUASGV-OWCLPIDISA-N 2 1 350.463 -0.649 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067121 484551171 /nfs/dbraw/zinc/55/11/71/484551171.db2.gz NFTVDVCOGFVPLE-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067121 484551161 /nfs/dbraw/zinc/55/11/61/484551161.db2.gz NFTVDVCOGFVPLE-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067121 484551154 /nfs/dbraw/zinc/55/11/54/484551154.db2.gz NFTVDVCOGFVPLE-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067589 484552190 /nfs/dbraw/zinc/55/21/90/484552190.db2.gz UWIWWEXPZRKSHK-CWRNSKLLSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067590 484552148 /nfs/dbraw/zinc/55/21/48/484552148.db2.gz UWIWWEXPZRKSHK-VNQPRFMTSA-N 2 1 352.479 -0.548 20 0 FBADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067881 484550751 /nfs/dbraw/zinc/55/07/51/484550751.db2.gz OIIOJCUXRSOSBO-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067881 484550745 /nfs/dbraw/zinc/55/07/45/484550745.db2.gz OIIOJCUXRSOSBO-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067881 484550738 /nfs/dbraw/zinc/55/07/38/484550738.db2.gz OIIOJCUXRSOSBO-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656068011 484551058 /nfs/dbraw/zinc/55/10/58/484551058.db2.gz XYBAVYUJSKGOKY-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656068338 484551952 /nfs/dbraw/zinc/55/19/52/484551952.db2.gz VOEGMLCWXKEVGC-DLBZAZTESA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656068338 484551948 /nfs/dbraw/zinc/55/19/48/484551948.db2.gz VOEGMLCWXKEVGC-DLBZAZTESA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC[NH+](C2CCCC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068338 484551941 /nfs/dbraw/zinc/55/19/41/484551941.db2.gz VOEGMLCWXKEVGC-DLBZAZTESA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069166 484553700 /nfs/dbraw/zinc/55/37/00/484553700.db2.gz RYTHMJYNCVGNDD-IXDOHACOSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069167 484552568 /nfs/dbraw/zinc/55/25/68/484552568.db2.gz RYTHMJYNCVGNDD-YESZJQIVSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000656069410 484553746 /nfs/dbraw/zinc/55/37/46/484553746.db2.gz AVKNAZWTVWPYKI-HRCADAONSA-N 2 1 350.463 -0.649 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000656069411 484553888 /nfs/dbraw/zinc/55/38/88/484553888.db2.gz AVKNAZWTVWPYKI-OWCLPIDISA-N 2 1 350.463 -0.649 20 0 FBADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069803 484553964 /nfs/dbraw/zinc/55/39/64/484553964.db2.gz PTFUKHGNSHYDSD-JKSUJKDBSA-N 2 1 370.494 -0.919 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000656070128 484553578 /nfs/dbraw/zinc/55/35/78/484553578.db2.gz AIBQJSCNMPFFKC-YESZJQIVSA-N 2 1 365.522 -0.319 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000656070129 484553874 /nfs/dbraw/zinc/55/38/74/484553874.db2.gz AIBQJSCNMPFFKC-ZACQAIPSSA-N 2 1 365.522 -0.319 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075163 484557109 /nfs/dbraw/zinc/55/71/09/484557109.db2.gz CQRBOZMVCXTZMG-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075163 484557102 /nfs/dbraw/zinc/55/71/02/484557102.db2.gz CQRBOZMVCXTZMG-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075163 484557097 /nfs/dbraw/zinc/55/70/97/484557097.db2.gz CQRBOZMVCXTZMG-CAOSSQGBSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075164 484557435 /nfs/dbraw/zinc/55/74/35/484557435.db2.gz CQRBOZMVCXTZMG-JONQDZQNSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075164 484557431 /nfs/dbraw/zinc/55/74/31/484557431.db2.gz CQRBOZMVCXTZMG-JONQDZQNSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075164 484557424 /nfs/dbraw/zinc/55/74/24/484557424.db2.gz CQRBOZMVCXTZMG-JONQDZQNSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075165 484556701 /nfs/dbraw/zinc/55/67/01/484556701.db2.gz CQRBOZMVCXTZMG-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075165 484556697 /nfs/dbraw/zinc/55/66/97/484556697.db2.gz CQRBOZMVCXTZMG-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075165 484556695 /nfs/dbraw/zinc/55/66/95/484556695.db2.gz CQRBOZMVCXTZMG-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075166 484556887 /nfs/dbraw/zinc/55/68/87/484556887.db2.gz CQRBOZMVCXTZMG-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075166 484556883 /nfs/dbraw/zinc/55/68/83/484556883.db2.gz CQRBOZMVCXTZMG-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075166 484556880 /nfs/dbraw/zinc/55/68/80/484556880.db2.gz CQRBOZMVCXTZMG-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656075212 484556475 /nfs/dbraw/zinc/55/64/75/484556475.db2.gz FDSZRMCGISGVLQ-HRCADAONSA-N 2 1 350.463 -0.792 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656075213 484556840 /nfs/dbraw/zinc/55/68/40/484556840.db2.gz FDSZRMCGISGVLQ-OWCLPIDISA-N 2 1 350.463 -0.792 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075457 484556368 /nfs/dbraw/zinc/55/63/68/484556368.db2.gz LNIPEXOAXTXFGM-FXUDXRNXSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075457 484556361 /nfs/dbraw/zinc/55/63/61/484556361.db2.gz LNIPEXOAXTXFGM-FXUDXRNXSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075457 484556355 /nfs/dbraw/zinc/55/63/55/484556355.db2.gz LNIPEXOAXTXFGM-FXUDXRNXSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075458 484557046 /nfs/dbraw/zinc/55/70/46/484557046.db2.gz LNIPEXOAXTXFGM-LVQVYYBASA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075458 484557042 /nfs/dbraw/zinc/55/70/42/484557042.db2.gz LNIPEXOAXTXFGM-LVQVYYBASA-N 2 1 352.479 -0.405 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075458 484557035 /nfs/dbraw/zinc/55/70/35/484557035.db2.gz LNIPEXOAXTXFGM-LVQVYYBASA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075459 484559050 /nfs/dbraw/zinc/55/90/50/484559050.db2.gz LNIPEXOAXTXFGM-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075459 484559045 /nfs/dbraw/zinc/55/90/45/484559045.db2.gz LNIPEXOAXTXFGM-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075459 484559043 /nfs/dbraw/zinc/55/90/43/484559043.db2.gz LNIPEXOAXTXFGM-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075460 484558145 /nfs/dbraw/zinc/55/81/45/484558145.db2.gz LNIPEXOAXTXFGM-YHUYYLMFSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075460 484558142 /nfs/dbraw/zinc/55/81/42/484558142.db2.gz LNIPEXOAXTXFGM-YHUYYLMFSA-N 2 1 352.479 -0.405 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075460 484558139 /nfs/dbraw/zinc/55/81/39/484558139.db2.gz LNIPEXOAXTXFGM-YHUYYLMFSA-N 2 1 352.479 -0.405 20 0 FBADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075658 484558266 /nfs/dbraw/zinc/55/82/66/484558266.db2.gz QQLDXJBXQRPBOE-LSDHHAIUSA-N 2 1 364.446 -0.553 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000656075868 484558934 /nfs/dbraw/zinc/55/89/34/484558934.db2.gz YJYCSRULXGPDCC-FZNQNYSPSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076175 484558409 /nfs/dbraw/zinc/55/84/09/484558409.db2.gz FTAYRPXQQKMUAB-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076175 484558408 /nfs/dbraw/zinc/55/84/08/484558408.db2.gz FTAYRPXQQKMUAB-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656076175 484558405 /nfs/dbraw/zinc/55/84/05/484558405.db2.gz FTAYRPXQQKMUAB-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076177 484558920 /nfs/dbraw/zinc/55/89/20/484558920.db2.gz FTAYRPXQQKMUAB-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076177 484558918 /nfs/dbraw/zinc/55/89/18/484558918.db2.gz FTAYRPXQQKMUAB-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656076177 484558915 /nfs/dbraw/zinc/55/89/15/484558915.db2.gz FTAYRPXQQKMUAB-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656076260 484559008 /nfs/dbraw/zinc/55/90/08/484559008.db2.gz GSQPARMPPFTGIP-LSDHHAIUSA-N 2 1 350.463 -0.649 20 0 FBADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076557 484560391 /nfs/dbraw/zinc/56/03/91/484560391.db2.gz JTZDRZZHDOHMAG-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656076748 484560441 /nfs/dbraw/zinc/56/04/41/484560441.db2.gz KOCYWFIEXYPJNO-DLBZAZTESA-N 2 1 366.506 -0.156 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076882 484560057 /nfs/dbraw/zinc/56/00/57/484560057.db2.gz HXZMOTCDFMKRBD-IXDOHACOSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076883 484560828 /nfs/dbraw/zinc/56/08/28/484560828.db2.gz HXZMOTCDFMKRBD-YESZJQIVSA-N 2 1 364.490 -0.259 20 0 FBADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656077127 484560622 /nfs/dbraw/zinc/56/06/22/484560622.db2.gz PJODSICEUJOTGI-JKSUJKDBSA-N 2 1 354.495 -0.156 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078494 484558212 /nfs/dbraw/zinc/55/82/12/484558212.db2.gz LJOBQGAKBZJYOC-HRCADAONSA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078494 484558206 /nfs/dbraw/zinc/55/82/06/484558206.db2.gz LJOBQGAKBZJYOC-HRCADAONSA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078494 484558202 /nfs/dbraw/zinc/55/82/02/484558202.db2.gz LJOBQGAKBZJYOC-HRCADAONSA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078495 484558016 /nfs/dbraw/zinc/55/80/16/484558016.db2.gz LJOBQGAKBZJYOC-OWCLPIDISA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078495 484558010 /nfs/dbraw/zinc/55/80/10/484558010.db2.gz LJOBQGAKBZJYOC-OWCLPIDISA-N 2 1 352.479 -0.546 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078495 484558006 /nfs/dbraw/zinc/55/80/06/484558006.db2.gz LJOBQGAKBZJYOC-OWCLPIDISA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078943 484558100 /nfs/dbraw/zinc/55/81/00/484558100.db2.gz PWKJFVBIBVASLB-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078943 484558098 /nfs/dbraw/zinc/55/80/98/484558098.db2.gz PWKJFVBIBVASLB-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078943 484558093 /nfs/dbraw/zinc/55/80/93/484558093.db2.gz PWKJFVBIBVASLB-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078945 484559093 /nfs/dbraw/zinc/55/90/93/484559093.db2.gz PWKJFVBIBVASLB-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078945 484559090 /nfs/dbraw/zinc/55/90/90/484559090.db2.gz PWKJFVBIBVASLB-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078945 484559086 /nfs/dbraw/zinc/55/90/86/484559086.db2.gz PWKJFVBIBVASLB-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078947 484558124 /nfs/dbraw/zinc/55/81/24/484558124.db2.gz PWKJFVBIBVASLB-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078947 484558120 /nfs/dbraw/zinc/55/81/20/484558120.db2.gz PWKJFVBIBVASLB-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078947 484558117 /nfs/dbraw/zinc/55/81/17/484558117.db2.gz PWKJFVBIBVASLB-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078948 484558547 /nfs/dbraw/zinc/55/85/47/484558547.db2.gz PWKJFVBIBVASLB-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078948 484558539 /nfs/dbraw/zinc/55/85/39/484558539.db2.gz PWKJFVBIBVASLB-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078948 484558534 /nfs/dbraw/zinc/55/85/34/484558534.db2.gz PWKJFVBIBVASLB-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656079319 484563389 /nfs/dbraw/zinc/56/33/89/484563389.db2.gz TVNVDXQNLKCRDC-GASCZTMLSA-N 2 1 367.494 -0.935 20 0 FBADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079722 484563858 /nfs/dbraw/zinc/56/38/58/484563858.db2.gz ZJEBSHMDFKAZHR-JKSUJKDBSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000656079845 484564131 /nfs/dbraw/zinc/56/41/31/484564131.db2.gz UDPRUZNJYYJLKP-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000656079847 484563511 /nfs/dbraw/zinc/56/35/11/484563511.db2.gz UDPRUZNJYYJLKP-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080131 484564228 /nfs/dbraw/zinc/56/42/28/484564228.db2.gz ONIVVJRJJUKZON-IXDOHACOSA-N 2 1 364.490 -0.546 20 0 FBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080131 484564225 /nfs/dbraw/zinc/56/42/25/484564225.db2.gz ONIVVJRJJUKZON-IXDOHACOSA-N 2 1 364.490 -0.546 20 0 FBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080131 484564219 /nfs/dbraw/zinc/56/42/19/484564219.db2.gz ONIVVJRJJUKZON-IXDOHACOSA-N 2 1 364.490 -0.546 20 0 FBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080132 484564340 /nfs/dbraw/zinc/56/43/40/484564340.db2.gz ONIVVJRJJUKZON-YESZJQIVSA-N 2 1 364.490 -0.546 20 0 FBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080132 484564335 /nfs/dbraw/zinc/56/43/35/484564335.db2.gz ONIVVJRJJUKZON-YESZJQIVSA-N 2 1 364.490 -0.546 20 0 FBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080132 484564330 /nfs/dbraw/zinc/56/43/30/484564330.db2.gz ONIVVJRJJUKZON-YESZJQIVSA-N 2 1 364.490 -0.546 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000656080421 484563404 /nfs/dbraw/zinc/56/34/04/484563404.db2.gz WMSJTISCLABSPD-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000656080421 484563400 /nfs/dbraw/zinc/56/34/00/484563400.db2.gz WMSJTISCLABSPD-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000656080422 484563932 /nfs/dbraw/zinc/56/39/32/484563932.db2.gz WMSJTISCLABSPD-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000656080422 484563926 /nfs/dbraw/zinc/56/39/26/484563926.db2.gz WMSJTISCLABSPD-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656081844 484561814 /nfs/dbraw/zinc/56/18/14/484561814.db2.gz LSTWNIHVBOESIV-IXDOHACOSA-N 2 1 364.490 -0.546 20 0 FBADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656081846 484561931 /nfs/dbraw/zinc/56/19/31/484561931.db2.gz LSTWNIHVBOESIV-YESZJQIVSA-N 2 1 364.490 -0.546 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656083062 484566558 /nfs/dbraw/zinc/56/65/58/484566558.db2.gz MZYPDALKTSZJOD-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656083062 484566550 /nfs/dbraw/zinc/56/65/50/484566550.db2.gz MZYPDALKTSZJOD-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656083063 484567554 /nfs/dbraw/zinc/56/75/54/484567554.db2.gz MZYPDALKTSZJOD-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656083063 484567552 /nfs/dbraw/zinc/56/75/52/484567552.db2.gz MZYPDALKTSZJOD-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083185 484566706 /nfs/dbraw/zinc/56/67/06/484566706.db2.gz YVISBVPJDMUUGS-FXUDXRNXSA-N 2 1 350.463 -0.651 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083185 484566701 /nfs/dbraw/zinc/56/67/01/484566701.db2.gz YVISBVPJDMUUGS-FXUDXRNXSA-N 2 1 350.463 -0.651 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656083185 484566695 /nfs/dbraw/zinc/56/66/95/484566695.db2.gz YVISBVPJDMUUGS-FXUDXRNXSA-N 2 1 350.463 -0.651 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083361 484566779 /nfs/dbraw/zinc/56/67/79/484566779.db2.gz PCTAWRBIHAIWSF-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083361 484566774 /nfs/dbraw/zinc/56/67/74/484566774.db2.gz PCTAWRBIHAIWSF-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083361 484566767 /nfs/dbraw/zinc/56/67/67/484566767.db2.gz PCTAWRBIHAIWSF-CAOSSQGBSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083362 484567639 /nfs/dbraw/zinc/56/76/39/484567639.db2.gz PCTAWRBIHAIWSF-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083362 484567636 /nfs/dbraw/zinc/56/76/36/484567636.db2.gz PCTAWRBIHAIWSF-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083362 484567633 /nfs/dbraw/zinc/56/76/33/484567633.db2.gz PCTAWRBIHAIWSF-JONQDZQNSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083363 484567482 /nfs/dbraw/zinc/56/74/82/484567482.db2.gz PCTAWRBIHAIWSF-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083363 484567479 /nfs/dbraw/zinc/56/74/79/484567479.db2.gz PCTAWRBIHAIWSF-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083363 484567474 /nfs/dbraw/zinc/56/74/74/484567474.db2.gz PCTAWRBIHAIWSF-QKPAOTATSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083364 484566662 /nfs/dbraw/zinc/56/66/62/484566662.db2.gz PCTAWRBIHAIWSF-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083364 484566659 /nfs/dbraw/zinc/56/66/59/484566659.db2.gz PCTAWRBIHAIWSF-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083364 484566653 /nfs/dbraw/zinc/56/66/53/484566653.db2.gz PCTAWRBIHAIWSF-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656086507 484568671 /nfs/dbraw/zinc/56/86/71/484568671.db2.gz AFCYUPWFKBSHMY-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087905 484569906 /nfs/dbraw/zinc/56/99/06/484569906.db2.gz INCGPNGTXNJSMR-DAYGRLMNSA-N 2 1 350.463 -0.792 20 0 FBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087907 484569752 /nfs/dbraw/zinc/56/97/52/484569752.db2.gz INCGPNGTXNJSMR-HDMKZQKVSA-N 2 1 350.463 -0.792 20 0 FBADMP C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000656090204 484570083 /nfs/dbraw/zinc/57/00/83/484570083.db2.gz KJCPECUIKLIGNQ-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000656090204 484570081 /nfs/dbraw/zinc/57/00/81/484570081.db2.gz KJCPECUIKLIGNQ-AWEZNQCLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000656090205 484569435 /nfs/dbraw/zinc/56/94/35/484569435.db2.gz KJCPECUIKLIGNQ-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000656090205 484569431 /nfs/dbraw/zinc/56/94/31/484569431.db2.gz KJCPECUIKLIGNQ-CQSZACIVSA-N 2 1 354.495 -0.157 20 0 FBADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103736 484576226 /nfs/dbraw/zinc/57/62/26/484576226.db2.gz BTKCYMYKFDPCNN-UXLLHSPISA-N 2 1 358.442 -0.652 20 0 FBADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103742 484576479 /nfs/dbraw/zinc/57/64/79/484576479.db2.gz BTKCYMYKFDPCNN-ZMSDIMECSA-N 2 1 358.442 -0.652 20 0 FBADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103943 484576140 /nfs/dbraw/zinc/57/61/40/484576140.db2.gz DEYJZKYGQYVXOO-FXUDXRNXSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103945 484575922 /nfs/dbraw/zinc/57/59/22/484575922.db2.gz DEYJZKYGQYVXOO-LVQVYYBASA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103946 484576166 /nfs/dbraw/zinc/57/61/66/484576166.db2.gz DEYJZKYGQYVXOO-XUWVNRHRSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103947 484576382 /nfs/dbraw/zinc/57/63/82/484576382.db2.gz DEYJZKYGQYVXOO-YHUYYLMFSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000656104009 484575705 /nfs/dbraw/zinc/57/57/05/484575705.db2.gz FPNPJWADVIVGRV-JKSUJKDBSA-N 2 1 350.463 -0.746 20 0 FBADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104212 484576586 /nfs/dbraw/zinc/57/65/86/484576586.db2.gz KJZYQVCXBBDRNV-ARFHVFGLSA-N 2 1 364.490 -0.500 20 0 FBADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104213 484576180 /nfs/dbraw/zinc/57/61/80/484576180.db2.gz KJZYQVCXBBDRNV-XHSDSOJGSA-N 2 1 364.490 -0.500 20 0 FBADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104256 484575886 /nfs/dbraw/zinc/57/58/86/484575886.db2.gz LXPJGLCBRQPWCT-DLBZAZTESA-N 2 1 360.458 -0.359 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000656104379 484576115 /nfs/dbraw/zinc/57/61/15/484576115.db2.gz OUAXSSNSDRORQR-ARFHVFGLSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000656104382 484575769 /nfs/dbraw/zinc/57/57/69/484575769.db2.gz OUAXSSNSDRORQR-XHSDSOJGSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104582 484575983 /nfs/dbraw/zinc/57/59/83/484575983.db2.gz RGDVGWDIHHWOFP-LTIDMASMSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104583 484575789 /nfs/dbraw/zinc/57/57/89/484575789.db2.gz RGDVGWDIHHWOFP-LUKYLMHMSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104584 484576264 /nfs/dbraw/zinc/57/62/64/484576264.db2.gz RGDVGWDIHHWOFP-VVLHAWIVSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104585 484576334 /nfs/dbraw/zinc/57/63/34/484576334.db2.gz RGDVGWDIHHWOFP-WCXIOVBPSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104610 484575821 /nfs/dbraw/zinc/57/58/21/484575821.db2.gz SEZCNJQPIYDINF-MWDXBVQZSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104611 484576001 /nfs/dbraw/zinc/57/60/01/484576001.db2.gz SEZCNJQPIYDINF-NXOAAHMSSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104612 484575938 /nfs/dbraw/zinc/57/59/38/484575938.db2.gz SEZCNJQPIYDINF-TWMKSMIVSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104613 484576287 /nfs/dbraw/zinc/57/62/87/484576287.db2.gz SEZCNJQPIYDINF-YYIAUSFCSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000656105244 484574370 /nfs/dbraw/zinc/57/43/70/484574370.db2.gz ZQMIOOHOELDSOY-HRCADAONSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000656105246 484574522 /nfs/dbraw/zinc/57/45/22/484574522.db2.gz ZQMIOOHOELDSOY-OWCLPIDISA-N 2 1 350.463 -0.888 20 0 FBADMP Cc1cnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656219033 484615837 /nfs/dbraw/zinc/61/58/37/484615837.db2.gz KKCZIRFDCXNQAO-MWDXBVQZSA-N 2 1 374.489 -0.705 20 0 FBADMP Cc1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656219033 484615830 /nfs/dbraw/zinc/61/58/30/484615830.db2.gz KKCZIRFDCXNQAO-MWDXBVQZSA-N 2 1 374.489 -0.705 20 0 FBADMP Cc1cnc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219033 484615825 /nfs/dbraw/zinc/61/58/25/484615825.db2.gz KKCZIRFDCXNQAO-MWDXBVQZSA-N 2 1 374.489 -0.705 20 0 FBADMP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219215 484616120 /nfs/dbraw/zinc/61/61/20/484616120.db2.gz PJRAKBPDIQOYKM-MWDXBVQZSA-N 2 1 374.489 -0.705 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281603 484623412 /nfs/dbraw/zinc/62/34/12/484623412.db2.gz BQRNKSRLMBDGPV-BBWFWOEESA-N 2 1 360.458 -0.317 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281604 484623541 /nfs/dbraw/zinc/62/35/41/484623541.db2.gz BQRNKSRLMBDGPV-GVDBMIGSSA-N 2 1 360.458 -0.317 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656282550 484623032 /nfs/dbraw/zinc/62/30/32/484623032.db2.gz NNJZGLKGZURFQF-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656282550 484623028 /nfs/dbraw/zinc/62/30/28/484623028.db2.gz NNJZGLKGZURFQF-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656282551 484622826 /nfs/dbraw/zinc/62/28/26/484622826.db2.gz NNJZGLKGZURFQF-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656282551 484622820 /nfs/dbraw/zinc/62/28/20/484622820.db2.gz NNJZGLKGZURFQF-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656282552 484623053 /nfs/dbraw/zinc/62/30/53/484623053.db2.gz NNJZGLKGZURFQF-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656282552 484623049 /nfs/dbraw/zinc/62/30/49/484623049.db2.gz NNJZGLKGZURFQF-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656282553 484622706 /nfs/dbraw/zinc/62/27/06/484622706.db2.gz NNJZGLKGZURFQF-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656282553 484622702 /nfs/dbraw/zinc/62/27/02/484622702.db2.gz NNJZGLKGZURFQF-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP CC1(C)CC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000656282814 484623472 /nfs/dbraw/zinc/62/34/72/484623472.db2.gz PPCVIBKFYYXIDL-UONOGXRCSA-N 2 1 352.479 -0.311 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284001 484623666 /nfs/dbraw/zinc/62/36/66/484623666.db2.gz KJDTWPUWDYTYDG-BFHYXJOUSA-N 2 1 366.487 -0.256 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284002 484623496 /nfs/dbraw/zinc/62/34/96/484623496.db2.gz KJDTWPUWDYTYDG-MJBXVCDLSA-N 2 1 366.487 -0.256 20 0 FBADMP CC(C)(CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656284752 484625319 /nfs/dbraw/zinc/62/53/19/484625319.db2.gz YBPFSXMRRZNSOI-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000656284829 484624304 /nfs/dbraw/zinc/62/43/04/484624304.db2.gz ZZHANRUTYVWQQM-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285520 484624200 /nfs/dbraw/zinc/62/42/00/484624200.db2.gz CZPFHALNWDNUCT-FGTMMUONSA-N 2 1 374.485 -0.447 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285521 484625571 /nfs/dbraw/zinc/62/55/71/484625571.db2.gz CZPFHALNWDNUCT-OKZBNKHCSA-N 2 1 374.485 -0.447 20 0 FBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656285558 484625414 /nfs/dbraw/zinc/62/54/14/484625414.db2.gz HXKCAAIXEUEVEQ-JKSUJKDBSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656286160 484624709 /nfs/dbraw/zinc/62/47/09/484624709.db2.gz LIJXRIPMYVQUIG-FGTMMUONSA-N 2 1 372.469 -0.346 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656286160 484624703 /nfs/dbraw/zinc/62/47/03/484624703.db2.gz LIJXRIPMYVQUIG-FGTMMUONSA-N 2 1 372.469 -0.346 20 0 FBADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656286160 484624693 /nfs/dbraw/zinc/62/46/93/484624693.db2.gz LIJXRIPMYVQUIG-FGTMMUONSA-N 2 1 372.469 -0.346 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656286162 484625074 /nfs/dbraw/zinc/62/50/74/484625074.db2.gz LIJXRIPMYVQUIG-OKZBNKHCSA-N 2 1 372.469 -0.346 20 0 FBADMP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656286162 484625071 /nfs/dbraw/zinc/62/50/71/484625071.db2.gz LIJXRIPMYVQUIG-OKZBNKHCSA-N 2 1 372.469 -0.346 20 0 FBADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656286162 484625065 /nfs/dbraw/zinc/62/50/65/484625065.db2.gz LIJXRIPMYVQUIG-OKZBNKHCSA-N 2 1 372.469 -0.346 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656286207 484625165 /nfs/dbraw/zinc/62/51/65/484625165.db2.gz QZIIPFLYJJMDHW-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656286208 484625719 /nfs/dbraw/zinc/62/57/19/484625719.db2.gz QZIIPFLYJJMDHW-XHSDSOJGSA-N 2 1 354.495 -0.084 20 0 FBADMP C[NH+](CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656287113 484623292 /nfs/dbraw/zinc/62/32/92/484623292.db2.gz YMSVLPANZIWQHZ-ZWKOTPCHSA-N 2 1 374.485 -0.098 20 0 FBADMP C[NH+](CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656287113 484623286 /nfs/dbraw/zinc/62/32/86/484623286.db2.gz YMSVLPANZIWQHZ-ZWKOTPCHSA-N 2 1 374.485 -0.098 20 0 FBADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656287113 484623282 /nfs/dbraw/zinc/62/32/82/484623282.db2.gz YMSVLPANZIWQHZ-ZWKOTPCHSA-N 2 1 374.485 -0.098 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000656290012 484626971 /nfs/dbraw/zinc/62/69/71/484626971.db2.gz XFZUTQYZUJXJTE-BBWFWOEESA-N 2 1 367.538 -0.169 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000656290013 484626739 /nfs/dbraw/zinc/62/67/39/484626739.db2.gz XFZUTQYZUJXJTE-IXDOHACOSA-N 2 1 367.538 -0.169 20 0 FBADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656290455 484627126 /nfs/dbraw/zinc/62/71/26/484627126.db2.gz YSPXCZKVZGVGIX-JKSUJKDBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656294465 484628456 /nfs/dbraw/zinc/62/84/56/484628456.db2.gz AVTNTIIVSUATOU-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656294466 484628749 /nfs/dbraw/zinc/62/87/49/484628749.db2.gz AVTNTIIVSUATOU-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656294467 484628779 /nfs/dbraw/zinc/62/87/79/484628779.db2.gz AVTNTIIVSUATOU-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656294468 484629805 /nfs/dbraw/zinc/62/98/05/484629805.db2.gz AVTNTIIVSUATOU-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294631 484625298 /nfs/dbraw/zinc/62/52/98/484625298.db2.gz VYTWAOGDFYJOQN-DLBZAZTESA-N 2 1 364.490 -0.213 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294918 484625512 /nfs/dbraw/zinc/62/55/12/484625512.db2.gz COBQUDSUNQGCFK-RRFJBIMHSA-N 2 1 366.487 -0.256 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294918 484625504 /nfs/dbraw/zinc/62/55/04/484625504.db2.gz COBQUDSUNQGCFK-RRFJBIMHSA-N 2 1 366.487 -0.256 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294920 484625112 /nfs/dbraw/zinc/62/51/12/484625112.db2.gz COBQUDSUNQGCFK-ZNMIVQPWSA-N 2 1 366.487 -0.256 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294920 484625106 /nfs/dbraw/zinc/62/51/06/484625106.db2.gz COBQUDSUNQGCFK-ZNMIVQPWSA-N 2 1 366.487 -0.256 20 0 FBADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295211 484624670 /nfs/dbraw/zinc/62/46/70/484624670.db2.gz GSVIFSYYKSOQNM-LUKYLMHMSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295212 484624562 /nfs/dbraw/zinc/62/45/62/484624562.db2.gz GSVIFSYYKSOQNM-VVLHAWIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295212 484624554 /nfs/dbraw/zinc/62/45/54/484624554.db2.gz GSVIFSYYKSOQNM-VVLHAWIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295212 484624547 /nfs/dbraw/zinc/62/45/47/484624547.db2.gz GSVIFSYYKSOQNM-VVLHAWIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295213 484624170 /nfs/dbraw/zinc/62/41/70/484624170.db2.gz GSVIFSYYKSOQNM-WCXIOVBPSA-N 2 1 366.506 -0.252 20 0 FBADMP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656296621 484626462 /nfs/dbraw/zinc/62/64/62/484626462.db2.gz MRZAGNVMFYNBLX-DLBZAZTESA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297298 484626419 /nfs/dbraw/zinc/62/64/19/484626419.db2.gz XYAWLSNMYQRQER-IXDOHACOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297298 484626415 /nfs/dbraw/zinc/62/64/15/484626415.db2.gz XYAWLSNMYQRQER-IXDOHACOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297298 484626407 /nfs/dbraw/zinc/62/64/07/484626407.db2.gz XYAWLSNMYQRQER-IXDOHACOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297299 484627785 /nfs/dbraw/zinc/62/77/85/484627785.db2.gz XYAWLSNMYQRQER-YESZJQIVSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297299 484627777 /nfs/dbraw/zinc/62/77/77/484627777.db2.gz XYAWLSNMYQRQER-YESZJQIVSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297299 484627769 /nfs/dbraw/zinc/62/77/69/484627769.db2.gz XYAWLSNMYQRQER-YESZJQIVSA-N 2 1 366.506 -0.108 20 0 FBADMP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656298134 484626241 /nfs/dbraw/zinc/62/62/41/484626241.db2.gz BAPXOYDECDYQPD-JKSUJKDBSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(NCCc1cn2c(n1)CCCC2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656299200 484629048 /nfs/dbraw/zinc/62/90/48/484629048.db2.gz YVCBIZIMUXHJRT-LSDHHAIUSA-N 2 1 361.446 -0.845 20 0 FBADMP O=C(NCCc1cn2c(n1)CCCC2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299200 484629043 /nfs/dbraw/zinc/62/90/43/484629043.db2.gz YVCBIZIMUXHJRT-LSDHHAIUSA-N 2 1 361.446 -0.845 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656300113 484629676 /nfs/dbraw/zinc/62/96/76/484629676.db2.gz JRVMGGZSWVEROV-YESZJQIVSA-N 2 1 367.538 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656300114 484629113 /nfs/dbraw/zinc/62/91/13/484629113.db2.gz JRVMGGZSWVEROV-ZACQAIPSSA-N 2 1 367.538 -0.167 20 0 FBADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656300225 484629457 /nfs/dbraw/zinc/62/94/57/484629457.db2.gz MJVYMCWODROAAO-JKSUJKDBSA-N 2 1 369.425 -0.234 20 0 FBADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656300225 484629448 /nfs/dbraw/zinc/62/94/48/484629448.db2.gz MJVYMCWODROAAO-JKSUJKDBSA-N 2 1 369.425 -0.234 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656301180 484629705 /nfs/dbraw/zinc/62/97/05/484629705.db2.gz IQZAYSSOTPJPTC-DLBZAZTESA-N 2 1 360.458 -0.488 20 0 FBADMP Cc1ccn2cc(CNC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)nc2c1 ZINC000656301538 484628941 /nfs/dbraw/zinc/62/89/41/484628941.db2.gz AIWMSWRBMYRIAO-LSDHHAIUSA-N 2 1 357.414 -0.464 20 0 FBADMP Cc1ccn2cc(CNC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)nc2c1 ZINC000656301538 484628934 /nfs/dbraw/zinc/62/89/34/484628934.db2.gz AIWMSWRBMYRIAO-LSDHHAIUSA-N 2 1 357.414 -0.464 20 0 FBADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301859 484631884 /nfs/dbraw/zinc/63/18/84/484631884.db2.gz OFVGYETZFLDHGR-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301948 484631720 /nfs/dbraw/zinc/63/17/20/484631720.db2.gz PHMQMMYIHAPICF-JKSUJKDBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302162 484631511 /nfs/dbraw/zinc/63/15/11/484631511.db2.gz IBKQBPDKXHEMHD-GGXPGOJBSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302163 484630974 /nfs/dbraw/zinc/63/09/74/484630974.db2.gz IBKQBPDKXHEMHD-OLMMMNRUSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302164 484631759 /nfs/dbraw/zinc/63/17/59/484631759.db2.gz IBKQBPDKXHEMHD-YIOZNXECSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302165 484631007 /nfs/dbraw/zinc/63/10/07/484631007.db2.gz IBKQBPDKXHEMHD-YYAJDYIMSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302556 484630721 /nfs/dbraw/zinc/63/07/21/484630721.db2.gz BENAPVSFVAOFQE-BPKGMFCQSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302556 484630717 /nfs/dbraw/zinc/63/07/17/484630717.db2.gz BENAPVSFVAOFQE-BPKGMFCQSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302556 484630714 /nfs/dbraw/zinc/63/07/14/484630714.db2.gz BENAPVSFVAOFQE-BPKGMFCQSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302558 484631069 /nfs/dbraw/zinc/63/10/69/484631069.db2.gz BENAPVSFVAOFQE-BQJWPVKWSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302558 484631065 /nfs/dbraw/zinc/63/10/65/484631065.db2.gz BENAPVSFVAOFQE-BQJWPVKWSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302558 484631058 /nfs/dbraw/zinc/63/10/58/484631058.db2.gz BENAPVSFVAOFQE-BQJWPVKWSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302559 484631198 /nfs/dbraw/zinc/63/11/98/484631198.db2.gz BENAPVSFVAOFQE-OVYGPGRDSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302561 484631537 /nfs/dbraw/zinc/63/15/37/484631537.db2.gz BENAPVSFVAOFQE-UHDSXZAQSA-N 2 1 366.506 -0.254 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303182 484630941 /nfs/dbraw/zinc/63/09/41/484630941.db2.gz GMYKNKQFSUCPFW-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303182 484630937 /nfs/dbraw/zinc/63/09/37/484630937.db2.gz GMYKNKQFSUCPFW-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303182 484630934 /nfs/dbraw/zinc/63/09/34/484630934.db2.gz GMYKNKQFSUCPFW-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303183 484630680 /nfs/dbraw/zinc/63/06/80/484630680.db2.gz GMYKNKQFSUCPFW-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303183 484630676 /nfs/dbraw/zinc/63/06/76/484630676.db2.gz GMYKNKQFSUCPFW-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303183 484630668 /nfs/dbraw/zinc/63/06/68/484630668.db2.gz GMYKNKQFSUCPFW-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303184 484631169 /nfs/dbraw/zinc/63/11/69/484631169.db2.gz GMYKNKQFSUCPFW-XUWVNRHRSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303184 484631165 /nfs/dbraw/zinc/63/11/65/484631165.db2.gz GMYKNKQFSUCPFW-XUWVNRHRSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303184 484631158 /nfs/dbraw/zinc/63/11/58/484631158.db2.gz GMYKNKQFSUCPFW-XUWVNRHRSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303185 484630327 /nfs/dbraw/zinc/63/03/27/484630327.db2.gz GMYKNKQFSUCPFW-YHUYYLMFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656303185 484630318 /nfs/dbraw/zinc/63/03/18/484630318.db2.gz GMYKNKQFSUCPFW-YHUYYLMFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303185 484630313 /nfs/dbraw/zinc/63/03/13/484630313.db2.gz GMYKNKQFSUCPFW-YHUYYLMFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304340 484630563 /nfs/dbraw/zinc/63/05/63/484630563.db2.gz WXQNHKIBEYWDED-HRCADAONSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304340 484630554 /nfs/dbraw/zinc/63/05/54/484630554.db2.gz WXQNHKIBEYWDED-HRCADAONSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304340 484630547 /nfs/dbraw/zinc/63/05/47/484630547.db2.gz WXQNHKIBEYWDED-HRCADAONSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304341 484630211 /nfs/dbraw/zinc/63/02/11/484630211.db2.gz WXQNHKIBEYWDED-OWCLPIDISA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304341 484630204 /nfs/dbraw/zinc/63/02/04/484630204.db2.gz WXQNHKIBEYWDED-OWCLPIDISA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304341 484630198 /nfs/dbraw/zinc/63/01/98/484630198.db2.gz WXQNHKIBEYWDED-OWCLPIDISA-N 2 1 366.506 -0.110 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304925 484630764 /nfs/dbraw/zinc/63/07/64/484630764.db2.gz KVNOOKJSCLGRJQ-HRCADAONSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304925 484630761 /nfs/dbraw/zinc/63/07/61/484630761.db2.gz KVNOOKJSCLGRJQ-HRCADAONSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304925 484630758 /nfs/dbraw/zinc/63/07/58/484630758.db2.gz KVNOOKJSCLGRJQ-HRCADAONSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304926 484630794 /nfs/dbraw/zinc/63/07/94/484630794.db2.gz KVNOOKJSCLGRJQ-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304926 484630790 /nfs/dbraw/zinc/63/07/90/484630790.db2.gz KVNOOKJSCLGRJQ-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304926 484630784 /nfs/dbraw/zinc/63/07/84/484630784.db2.gz KVNOOKJSCLGRJQ-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000656305060 484631801 /nfs/dbraw/zinc/63/18/01/484631801.db2.gz OIVITLXNAYQZBZ-HRCADAONSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000656305061 484631582 /nfs/dbraw/zinc/63/15/82/484631582.db2.gz OIVITLXNAYQZBZ-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000656307950 484632546 /nfs/dbraw/zinc/63/25/46/484632546.db2.gz VIAXRUGRZKZOKM-KFWWJZLASA-N 2 1 367.494 -0.854 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000656307951 484633530 /nfs/dbraw/zinc/63/35/30/484633530.db2.gz VIAXRUGRZKZOKM-SOUVJXGZSA-N 2 1 367.494 -0.854 20 0 FBADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656307997 484633363 /nfs/dbraw/zinc/63/33/63/484633363.db2.gz YVQPUSYYJZZIKN-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656308420 484633888 /nfs/dbraw/zinc/63/38/88/484633888.db2.gz DSMFGOPVTKFDAL-SSHXOBKSSA-N 2 1 352.479 -0.500 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656312443 484636789 /nfs/dbraw/zinc/63/67/89/484636789.db2.gz VADHAIQSHPAEDI-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656312443 484636784 /nfs/dbraw/zinc/63/67/84/484636784.db2.gz VADHAIQSHPAEDI-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656312443 484636780 /nfs/dbraw/zinc/63/67/80/484636780.db2.gz VADHAIQSHPAEDI-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656312444 484636644 /nfs/dbraw/zinc/63/66/44/484636644.db2.gz VADHAIQSHPAEDI-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656312444 484636640 /nfs/dbraw/zinc/63/66/40/484636640.db2.gz VADHAIQSHPAEDI-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656312444 484636636 /nfs/dbraw/zinc/63/66/36/484636636.db2.gz VADHAIQSHPAEDI-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656312446 484636569 /nfs/dbraw/zinc/63/65/69/484636569.db2.gz VADHAIQSHPAEDI-JYJNAYRXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656312446 484636565 /nfs/dbraw/zinc/63/65/65/484636565.db2.gz VADHAIQSHPAEDI-JYJNAYRXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656312446 484636562 /nfs/dbraw/zinc/63/65/62/484636562.db2.gz VADHAIQSHPAEDI-JYJNAYRXSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656312449 484636614 /nfs/dbraw/zinc/63/66/14/484636614.db2.gz VADHAIQSHPAEDI-XHSDSOJGSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656312449 484636611 /nfs/dbraw/zinc/63/66/11/484636611.db2.gz VADHAIQSHPAEDI-XHSDSOJGSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656312449 484636607 /nfs/dbraw/zinc/63/66/07/484636607.db2.gz VADHAIQSHPAEDI-XHSDSOJGSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656313237 484634994 /nfs/dbraw/zinc/63/49/94/484634994.db2.gz PEBULCFHHPMRPB-JKSUJKDBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000656313315 484635979 /nfs/dbraw/zinc/63/59/79/484635979.db2.gz QASJWTQFLFYUEO-BPQIPLTHSA-N 2 1 374.485 -0.100 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000656313315 484635975 /nfs/dbraw/zinc/63/59/75/484635975.db2.gz QASJWTQFLFYUEO-BPQIPLTHSA-N 2 1 374.485 -0.100 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000656313315 484635967 /nfs/dbraw/zinc/63/59/67/484635967.db2.gz QASJWTQFLFYUEO-BPQIPLTHSA-N 2 1 374.485 -0.100 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000656313316 484634822 /nfs/dbraw/zinc/63/48/22/484634822.db2.gz QASJWTQFLFYUEO-RYQLBKOJSA-N 2 1 374.485 -0.100 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000656313316 484634818 /nfs/dbraw/zinc/63/48/18/484634818.db2.gz QASJWTQFLFYUEO-RYQLBKOJSA-N 2 1 374.485 -0.100 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000656313316 484634814 /nfs/dbraw/zinc/63/48/14/484634814.db2.gz QASJWTQFLFYUEO-RYQLBKOJSA-N 2 1 374.485 -0.100 20 0 FBADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000656314817 484635676 /nfs/dbraw/zinc/63/56/76/484635676.db2.gz DJRCKLJLMIZZDC-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000656314818 484635130 /nfs/dbraw/zinc/63/51/30/484635130.db2.gz DJRCKLJLMIZZDC-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656315048 484637500 /nfs/dbraw/zinc/63/75/00/484637500.db2.gz GUNNWVGNDCVXRB-BZUAXINKSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656315048 484637496 /nfs/dbraw/zinc/63/74/96/484637496.db2.gz GUNNWVGNDCVXRB-BZUAXINKSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656315048 484637490 /nfs/dbraw/zinc/63/74/90/484637490.db2.gz GUNNWVGNDCVXRB-BZUAXINKSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656315049 484637763 /nfs/dbraw/zinc/63/77/63/484637763.db2.gz GUNNWVGNDCVXRB-OAGGEKHMSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656315049 484637759 /nfs/dbraw/zinc/63/77/59/484637759.db2.gz GUNNWVGNDCVXRB-OAGGEKHMSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656315049 484637754 /nfs/dbraw/zinc/63/77/54/484637754.db2.gz GUNNWVGNDCVXRB-OAGGEKHMSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656315050 484636956 /nfs/dbraw/zinc/63/69/56/484636956.db2.gz GUNNWVGNDCVXRB-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656315050 484636949 /nfs/dbraw/zinc/63/69/49/484636949.db2.gz GUNNWVGNDCVXRB-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656315050 484636944 /nfs/dbraw/zinc/63/69/44/484636944.db2.gz GUNNWVGNDCVXRB-OWCLPIDISA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656315051 484637402 /nfs/dbraw/zinc/63/74/02/484637402.db2.gz GUNNWVGNDCVXRB-PMPSAXMXSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656315051 484637397 /nfs/dbraw/zinc/63/73/97/484637397.db2.gz GUNNWVGNDCVXRB-PMPSAXMXSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656315051 484637393 /nfs/dbraw/zinc/63/73/93/484637393.db2.gz GUNNWVGNDCVXRB-PMPSAXMXSA-N 2 1 351.495 -0.519 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315053 484637156 /nfs/dbraw/zinc/63/71/56/484637156.db2.gz HAVPPUIRKCPPSD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315053 484637152 /nfs/dbraw/zinc/63/71/52/484637152.db2.gz HAVPPUIRKCPPSD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656315053 484637145 /nfs/dbraw/zinc/63/71/45/484637145.db2.gz HAVPPUIRKCPPSD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315054 484636679 /nfs/dbraw/zinc/63/66/79/484636679.db2.gz HAVPPUIRKCPPSD-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315054 484636675 /nfs/dbraw/zinc/63/66/75/484636675.db2.gz HAVPPUIRKCPPSD-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656315054 484636669 /nfs/dbraw/zinc/63/66/69/484636669.db2.gz HAVPPUIRKCPPSD-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315090 484638034 /nfs/dbraw/zinc/63/80/34/484638034.db2.gz HWJSJFIRLXLTIX-INMHGKMJSA-N 2 1 365.522 -0.273 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315090 484638028 /nfs/dbraw/zinc/63/80/28/484638028.db2.gz HWJSJFIRLXLTIX-INMHGKMJSA-N 2 1 365.522 -0.273 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315091 484637799 /nfs/dbraw/zinc/63/77/99/484637799.db2.gz HWJSJFIRLXLTIX-YQQAZPJKSA-N 2 1 365.522 -0.273 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315091 484637793 /nfs/dbraw/zinc/63/77/93/484637793.db2.gz HWJSJFIRLXLTIX-YQQAZPJKSA-N 2 1 365.522 -0.273 20 0 FBADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000656315158 484637880 /nfs/dbraw/zinc/63/78/80/484637880.db2.gz FELUQYVFYPDNAO-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000656315159 484636719 /nfs/dbraw/zinc/63/67/19/484636719.db2.gz FELUQYVFYPDNAO-ZNMIVQPWSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000656317900 484636548 /nfs/dbraw/zinc/63/65/48/484636548.db2.gz HCACNFMEJQXDSS-GASCZTMLSA-N 2 1 353.511 -0.415 20 0 FBADMP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322602 484642046 /nfs/dbraw/zinc/64/20/46/484642046.db2.gz SPDVGQYFHFWNLE-SSHXOBKSSA-N 2 1 350.463 -0.603 20 0 FBADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000656322995 484642932 /nfs/dbraw/zinc/64/29/32/484642932.db2.gz UIQNZXPAVMALPG-JKSUJKDBSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H](CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656324251 484640078 /nfs/dbraw/zinc/64/00/78/484640078.db2.gz OPXLFJNFGBXGFR-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656324252 484640729 /nfs/dbraw/zinc/64/07/29/484640729.db2.gz OPXLFJNFGBXGFR-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000656324686 484640825 /nfs/dbraw/zinc/64/08/25/484640825.db2.gz XTHZTZZIDAFEOE-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000656325304 484640091 /nfs/dbraw/zinc/64/00/91/484640091.db2.gz ODWKTOVSSUCTKB-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326227 484640138 /nfs/dbraw/zinc/64/01/38/484640138.db2.gz JTVXOWUUBWYSLJ-BSDSXHPESA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326227 484640135 /nfs/dbraw/zinc/64/01/35/484640135.db2.gz JTVXOWUUBWYSLJ-BSDSXHPESA-N 2 1 372.469 -0.175 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326227 484640132 /nfs/dbraw/zinc/64/01/32/484640132.db2.gz JTVXOWUUBWYSLJ-BSDSXHPESA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326230 484640055 /nfs/dbraw/zinc/64/00/55/484640055.db2.gz JTVXOWUUBWYSLJ-MHORFTMASA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326230 484640052 /nfs/dbraw/zinc/64/00/52/484640052.db2.gz JTVXOWUUBWYSLJ-MHORFTMASA-N 2 1 372.469 -0.175 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326230 484640050 /nfs/dbraw/zinc/64/00/50/484640050.db2.gz JTVXOWUUBWYSLJ-MHORFTMASA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326232 484641110 /nfs/dbraw/zinc/64/11/10/484641110.db2.gz JTVXOWUUBWYSLJ-MLHJIOFPSA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326232 484641106 /nfs/dbraw/zinc/64/11/06/484641106.db2.gz JTVXOWUUBWYSLJ-MLHJIOFPSA-N 2 1 372.469 -0.175 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326232 484641103 /nfs/dbraw/zinc/64/11/03/484641103.db2.gz JTVXOWUUBWYSLJ-MLHJIOFPSA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326233 484640215 /nfs/dbraw/zinc/64/02/15/484640215.db2.gz JTVXOWUUBWYSLJ-XWTMOSNGSA-N 2 1 372.469 -0.175 20 0 FBADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326233 484640213 /nfs/dbraw/zinc/64/02/13/484640213.db2.gz JTVXOWUUBWYSLJ-XWTMOSNGSA-N 2 1 372.469 -0.175 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326233 484640211 /nfs/dbraw/zinc/64/02/11/484640211.db2.gz JTVXOWUUBWYSLJ-XWTMOSNGSA-N 2 1 372.469 -0.175 20 0 FBADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330460 484643800 /nfs/dbraw/zinc/64/38/00/484643800.db2.gz CSGFOSVZCUYPNW-IXDOHACOSA-N 2 1 366.506 -0.252 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330460 484643795 /nfs/dbraw/zinc/64/37/95/484643795.db2.gz CSGFOSVZCUYPNW-IXDOHACOSA-N 2 1 366.506 -0.252 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330462 484644096 /nfs/dbraw/zinc/64/40/96/484644096.db2.gz CSGFOSVZCUYPNW-YESZJQIVSA-N 2 1 366.506 -0.252 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330462 484644090 /nfs/dbraw/zinc/64/40/90/484644090.db2.gz CSGFOSVZCUYPNW-YESZJQIVSA-N 2 1 366.506 -0.252 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1C[N@@H+](C)CCO1 ZINC000656334448 484644356 /nfs/dbraw/zinc/64/43/56/484644356.db2.gz PLIVIDUKIVSJKS-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1C[N@H+](C)CCO1 ZINC000656334448 484644352 /nfs/dbraw/zinc/64/43/52/484644352.db2.gz PLIVIDUKIVSJKS-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[NH+](C)CCO1 ZINC000656334448 484644344 /nfs/dbraw/zinc/64/43/44/484644344.db2.gz PLIVIDUKIVSJKS-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[NH+](C)CCO1 ZINC000656334448 484644337 /nfs/dbraw/zinc/64/43/37/484644337.db2.gz PLIVIDUKIVSJKS-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1C[N@@H+](C)CCO1 ZINC000656334451 484644640 /nfs/dbraw/zinc/64/46/40/484644640.db2.gz PLIVIDUKIVSJKS-JJXSEGSLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1C[N@H+](C)CCO1 ZINC000656334451 484644638 /nfs/dbraw/zinc/64/46/38/484644638.db2.gz PLIVIDUKIVSJKS-JJXSEGSLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[NH+](C)CCO1 ZINC000656334451 484644635 /nfs/dbraw/zinc/64/46/35/484644635.db2.gz PLIVIDUKIVSJKS-JJXSEGSLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[NH+](C)CCO1 ZINC000656334451 484644633 /nfs/dbraw/zinc/64/46/33/484644633.db2.gz PLIVIDUKIVSJKS-JJXSEGSLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1C[N@@H+](C)CCO1 ZINC000656334453 484643623 /nfs/dbraw/zinc/64/36/23/484643623.db2.gz PLIVIDUKIVSJKS-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1C[N@H+](C)CCO1 ZINC000656334453 484643619 /nfs/dbraw/zinc/64/36/19/484643619.db2.gz PLIVIDUKIVSJKS-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH+](C)CCO1 ZINC000656334453 484643615 /nfs/dbraw/zinc/64/36/15/484643615.db2.gz PLIVIDUKIVSJKS-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH+](C)CCO1 ZINC000656334453 484643611 /nfs/dbraw/zinc/64/36/11/484643611.db2.gz PLIVIDUKIVSJKS-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1C[N@@H+](C)CCO1 ZINC000656334456 484644157 /nfs/dbraw/zinc/64/41/57/484644157.db2.gz PLIVIDUKIVSJKS-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1C[N@H+](C)CCO1 ZINC000656334456 484644154 /nfs/dbraw/zinc/64/41/54/484644154.db2.gz PLIVIDUKIVSJKS-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[NH+](C)CCO1 ZINC000656334456 484644147 /nfs/dbraw/zinc/64/41/47/484644147.db2.gz PLIVIDUKIVSJKS-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH+](C)CCO1 ZINC000656334456 484644140 /nfs/dbraw/zinc/64/41/40/484644140.db2.gz PLIVIDUKIVSJKS-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656336684 484647350 /nfs/dbraw/zinc/64/73/50/484647350.db2.gz LDLSLYSHVLHDDW-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656336684 484647347 /nfs/dbraw/zinc/64/73/47/484647347.db2.gz LDLSLYSHVLHDDW-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656336684 484647343 /nfs/dbraw/zinc/64/73/43/484647343.db2.gz LDLSLYSHVLHDDW-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656336685 484647140 /nfs/dbraw/zinc/64/71/40/484647140.db2.gz LDLSLYSHVLHDDW-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656336685 484647136 /nfs/dbraw/zinc/64/71/36/484647136.db2.gz LDLSLYSHVLHDDW-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656336685 484647134 /nfs/dbraw/zinc/64/71/34/484647134.db2.gz LDLSLYSHVLHDDW-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337210 484647060 /nfs/dbraw/zinc/64/70/60/484647060.db2.gz PVXDEYMECJDXMR-HRCADAONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337212 484647383 /nfs/dbraw/zinc/64/73/83/484647383.db2.gz PVXDEYMECJDXMR-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337293 484646724 /nfs/dbraw/zinc/64/67/24/484646724.db2.gz QNYDXARUQCWWBR-JKSUJKDBSA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656337599 484647079 /nfs/dbraw/zinc/64/70/79/484647079.db2.gz VLBCLSDVUKWYOM-ZWKOTPCHSA-N 2 1 374.485 -0.316 20 0 FBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358365 484653774 /nfs/dbraw/zinc/65/37/74/484653774.db2.gz QSMSWIPNXDZEEE-FZKCQIBNSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358365 484653769 /nfs/dbraw/zinc/65/37/69/484653769.db2.gz QSMSWIPNXDZEEE-FZKCQIBNSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CCC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358365 484653764 /nfs/dbraw/zinc/65/37/64/484653764.db2.gz QSMSWIPNXDZEEE-FZKCQIBNSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358367 484654391 /nfs/dbraw/zinc/65/43/91/484654391.db2.gz QSMSWIPNXDZEEE-JJXSEGSLSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358367 484654387 /nfs/dbraw/zinc/65/43/87/484654387.db2.gz QSMSWIPNXDZEEE-JJXSEGSLSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358367 484654383 /nfs/dbraw/zinc/65/43/83/484654383.db2.gz QSMSWIPNXDZEEE-JJXSEGSLSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358369 484653571 /nfs/dbraw/zinc/65/35/71/484653571.db2.gz QSMSWIPNXDZEEE-XUWVNRHRSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358369 484653569 /nfs/dbraw/zinc/65/35/69/484653569.db2.gz QSMSWIPNXDZEEE-XUWVNRHRSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CCC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358369 484653564 /nfs/dbraw/zinc/65/35/64/484653564.db2.gz QSMSWIPNXDZEEE-XUWVNRHRSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358371 484654075 /nfs/dbraw/zinc/65/40/75/484654075.db2.gz QSMSWIPNXDZEEE-ZJIFWQFVSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656358371 484654069 /nfs/dbraw/zinc/65/40/69/484654069.db2.gz QSMSWIPNXDZEEE-ZJIFWQFVSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358371 484654064 /nfs/dbraw/zinc/65/40/64/484654064.db2.gz QSMSWIPNXDZEEE-ZJIFWQFVSA-N 2 1 350.463 -0.603 20 0 FBADMP CC(C)CN1CCO[C@@H](Cn2cc(CN[C@@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447738 484664823 /nfs/dbraw/zinc/66/48/23/484664823.db2.gz DLNIZZQSFLNFSI-GDBMZVCRSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CN[C@@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447738 484664819 /nfs/dbraw/zinc/66/48/19/484664819.db2.gz DLNIZZQSFLNFSI-GDBMZVCRSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)CN1CCO[C@@H](Cn2cc(CN[C@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447749 484665041 /nfs/dbraw/zinc/66/50/41/484665041.db2.gz DLNIZZQSFLNFSI-GOEBONIOSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CN[C@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447749 484665036 /nfs/dbraw/zinc/66/50/36/484665036.db2.gz DLNIZZQSFLNFSI-GOEBONIOSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)CN1CCO[C@H](Cn2cc(CN[C@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447750 484664367 /nfs/dbraw/zinc/66/43/67/484664367.db2.gz DLNIZZQSFLNFSI-HOCLYGCPSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CN[C@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447750 484664358 /nfs/dbraw/zinc/66/43/58/484664358.db2.gz DLNIZZQSFLNFSI-HOCLYGCPSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)CN1CCO[C@H](Cn2cc(CN[C@@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447988 484665170 /nfs/dbraw/zinc/66/51/70/484665170.db2.gz DLNIZZQSFLNFSI-ZBFHGGJFSA-N 2 1 371.507 -0.088 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CN[C@@H]3CCS(=O)(=O)C3)nn2)C1 ZINC000656447988 484665166 /nfs/dbraw/zinc/66/51/66/484665166.db2.gz DLNIZZQSFLNFSI-ZBFHGGJFSA-N 2 1 371.507 -0.088 20 0 FBADMP O=C(CN1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000656586599 484673904 /nfs/dbraw/zinc/67/39/04/484673904.db2.gz MYYZBMYGNSBKGS-ROUUACIJSA-N 2 1 372.469 -0.080 20 0 FBADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595758 484797748 /nfs/dbraw/zinc/79/77/48/484797748.db2.gz RZFLRTDUSVHJIB-KRWDZBQOSA-N 2 1 358.442 -0.060 20 0 FBADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595763 484797216 /nfs/dbraw/zinc/79/72/16/484797216.db2.gz RZFLRTDUSVHJIB-QGZVFWFLSA-N 2 1 358.442 -0.060 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]3(OCCO)CCOC3)cn2)CC1 ZINC000657597402 484798199 /nfs/dbraw/zinc/79/81/99/484798199.db2.gz NJYIZXXOPYLUHK-KRWDZBQOSA-N 2 1 351.451 -0.514 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]3(OCCO)CCOC3)cn2)CC1 ZINC000657597403 484797916 /nfs/dbraw/zinc/79/79/16/484797916.db2.gz NJYIZXXOPYLUHK-QGZVFWFLSA-N 2 1 351.451 -0.514 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658115604 485105114 /nfs/dbraw/zinc/10/51/14/485105114.db2.gz UPWQMNXRCOGHGV-INIZCTEOSA-N 2 1 353.511 -0.365 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658115607 485104552 /nfs/dbraw/zinc/10/45/52/485104552.db2.gz UPWQMNXRCOGHGV-MRXNPFEDSA-N 2 1 353.511 -0.365 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000658180305 485127725 /nfs/dbraw/zinc/12/77/25/485127725.db2.gz JAGRZLVJKLJWKO-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000658180305 485127720 /nfs/dbraw/zinc/12/77/20/485127720.db2.gz JAGRZLVJKLJWKO-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000658180306 485127868 /nfs/dbraw/zinc/12/78/68/485127868.db2.gz JAGRZLVJKLJWKO-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000658180306 485127865 /nfs/dbraw/zinc/12/78/65/485127865.db2.gz JAGRZLVJKLJWKO-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000658216499 485131784 /nfs/dbraw/zinc/13/17/84/485131784.db2.gz MHNAVTSSJUVEFQ-INIZCTEOSA-N 2 1 352.479 -0.279 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000658216499 485131782 /nfs/dbraw/zinc/13/17/82/485131782.db2.gz MHNAVTSSJUVEFQ-INIZCTEOSA-N 2 1 352.479 -0.279 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000658216500 485131494 /nfs/dbraw/zinc/13/14/94/485131494.db2.gz MHNAVTSSJUVEFQ-MRXNPFEDSA-N 2 1 352.479 -0.279 20 0 FBADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000658216500 485131491 /nfs/dbraw/zinc/13/14/91/485131491.db2.gz MHNAVTSSJUVEFQ-MRXNPFEDSA-N 2 1 352.479 -0.279 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658222213 485132265 /nfs/dbraw/zinc/13/22/65/485132265.db2.gz OTGOCICEZKRNON-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658222216 485133093 /nfs/dbraw/zinc/13/30/93/485133093.db2.gz OTGOCICEZKRNON-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC000658393070 485143858 /nfs/dbraw/zinc/14/38/58/485143858.db2.gz JXTSIYVKWTYAAB-SJORKVTESA-N 2 1 364.490 -0.280 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658431476 484423762 /nfs/dbraw/zinc/42/37/62/484423762.db2.gz NPWKWOFEVAHZGH-KRWDZBQOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658431476 484423757 /nfs/dbraw/zinc/42/37/57/484423757.db2.gz NPWKWOFEVAHZGH-KRWDZBQOSA-N 2 1 366.506 -0.156 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658431478 484424548 /nfs/dbraw/zinc/42/45/48/484424548.db2.gz NPWKWOFEVAHZGH-QGZVFWFLSA-N 2 1 366.506 -0.156 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658431478 484424544 /nfs/dbraw/zinc/42/45/44/484424544.db2.gz NPWKWOFEVAHZGH-QGZVFWFLSA-N 2 1 366.506 -0.156 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658461271 485149545 /nfs/dbraw/zinc/14/95/45/485149545.db2.gz ZXRMLOOUULQBAT-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658461272 485149603 /nfs/dbraw/zinc/14/96/03/485149603.db2.gz ZXRMLOOUULQBAT-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658461273 485149453 /nfs/dbraw/zinc/14/94/53/485149453.db2.gz ZXRMLOOUULQBAT-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658461274 485047740 /nfs/dbraw/zinc/04/77/40/485047740.db2.gz ZXRMLOOUULQBAT-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658464287 485150820 /nfs/dbraw/zinc/15/08/20/485150820.db2.gz OEYWALKLBBLLGS-INIZCTEOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1 ZINC000658464287 485150817 /nfs/dbraw/zinc/15/08/17/485150817.db2.gz OEYWALKLBBLLGS-INIZCTEOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658464288 485150770 /nfs/dbraw/zinc/15/07/70/485150770.db2.gz OEYWALKLBBLLGS-MRXNPFEDSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658464288 485150767 /nfs/dbraw/zinc/15/07/67/485150767.db2.gz OEYWALKLBBLLGS-MRXNPFEDSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658486687 485151502 /nfs/dbraw/zinc/15/15/02/485151502.db2.gz LTZKQDKYDAQISX-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658486687 485151498 /nfs/dbraw/zinc/15/14/98/485151498.db2.gz LTZKQDKYDAQISX-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658486687 485151494 /nfs/dbraw/zinc/15/14/94/485151494.db2.gz LTZKQDKYDAQISX-DOTOQJQBSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658486690 485151454 /nfs/dbraw/zinc/15/14/54/485151454.db2.gz LTZKQDKYDAQISX-NVXWUHKLSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658486690 485151452 /nfs/dbraw/zinc/15/14/52/485151452.db2.gz LTZKQDKYDAQISX-NVXWUHKLSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658486690 485151450 /nfs/dbraw/zinc/15/14/50/485151450.db2.gz LTZKQDKYDAQISX-NVXWUHKLSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658486693 485135072 /nfs/dbraw/zinc/13/50/72/485135072.db2.gz LTZKQDKYDAQISX-RDJZCZTQSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658486693 485135065 /nfs/dbraw/zinc/13/50/65/485135065.db2.gz LTZKQDKYDAQISX-RDJZCZTQSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658486693 485135056 /nfs/dbraw/zinc/13/50/56/485135056.db2.gz LTZKQDKYDAQISX-RDJZCZTQSA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658486702 485135590 /nfs/dbraw/zinc/13/55/90/485135590.db2.gz LTZKQDKYDAQISX-WBVHZDCISA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658486702 485135585 /nfs/dbraw/zinc/13/55/85/485135585.db2.gz LTZKQDKYDAQISX-WBVHZDCISA-N 2 1 366.506 -0.156 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658486702 485135583 /nfs/dbraw/zinc/13/55/83/485135583.db2.gz LTZKQDKYDAQISX-WBVHZDCISA-N 2 1 366.506 -0.156 20 0 FBADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658495748 485167043 /nfs/dbraw/zinc/16/70/43/485167043.db2.gz VRRXQYDFRYGYGR-KRWDZBQOSA-N 2 1 364.490 -0.402 20 0 FBADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658495748 485167040 /nfs/dbraw/zinc/16/70/40/485167040.db2.gz VRRXQYDFRYGYGR-KRWDZBQOSA-N 2 1 364.490 -0.402 20 0 FBADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658495752 485166356 /nfs/dbraw/zinc/16/63/56/485166356.db2.gz VRRXQYDFRYGYGR-QGZVFWFLSA-N 2 1 364.490 -0.402 20 0 FBADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658495752 485166350 /nfs/dbraw/zinc/16/63/50/485166350.db2.gz VRRXQYDFRYGYGR-QGZVFWFLSA-N 2 1 364.490 -0.402 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658520939 485215477 /nfs/dbraw/zinc/21/54/77/485215477.db2.gz AQEISZYKHNQIDR-INIZCTEOSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658520944 485215231 /nfs/dbraw/zinc/21/52/31/485215231.db2.gz AQEISZYKHNQIDR-MRXNPFEDSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658521643 485215380 /nfs/dbraw/zinc/21/53/80/485215380.db2.gz YYIAHCNNIPOOMF-KRWDZBQOSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658521643 485215377 /nfs/dbraw/zinc/21/53/77/485215377.db2.gz YYIAHCNNIPOOMF-KRWDZBQOSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658521650 485215761 /nfs/dbraw/zinc/21/57/61/485215761.db2.gz YYIAHCNNIPOOMF-QGZVFWFLSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658521650 485215758 /nfs/dbraw/zinc/21/57/58/485215758.db2.gz YYIAHCNNIPOOMF-QGZVFWFLSA-N 2 1 366.506 -0.013 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000658523382 485154114 /nfs/dbraw/zinc/15/41/14/485154114.db2.gz HFGKGIKGLFVVOH-DLBZAZTESA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000658523383 485153433 /nfs/dbraw/zinc/15/34/33/485153433.db2.gz HFGKGIKGLFVVOH-IAGOWNOFSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000658523384 485153497 /nfs/dbraw/zinc/15/34/97/485153497.db2.gz HFGKGIKGLFVVOH-IRXDYDNUSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000658523385 485153845 /nfs/dbraw/zinc/15/38/45/485153845.db2.gz HFGKGIKGLFVVOH-SJORKVTESA-N 2 1 364.490 -0.259 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530073 485155093 /nfs/dbraw/zinc/15/50/93/485155093.db2.gz URXIHTIDFMGOQR-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530074 485155173 /nfs/dbraw/zinc/15/51/73/485155173.db2.gz URXIHTIDFMGOQR-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530075 485154892 /nfs/dbraw/zinc/15/48/92/485154892.db2.gz URXIHTIDFMGOQR-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530076 485155010 /nfs/dbraw/zinc/15/50/10/485155010.db2.gz URXIHTIDFMGOQR-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658536995 485250621 /nfs/dbraw/zinc/25/06/21/485250621.db2.gz RPRZRDXSBLJUQE-HNNXBMFYSA-N 3 1 355.527 -0.073 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658536996 485250720 /nfs/dbraw/zinc/25/07/20/485250720.db2.gz RPRZRDXSBLJUQE-OAHLLOKOSA-N 3 1 355.527 -0.073 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000658542510 485157525 /nfs/dbraw/zinc/15/75/25/485157525.db2.gz VJJJOYBZIXDYLV-DLBZAZTESA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000658542510 485157519 /nfs/dbraw/zinc/15/75/19/485157519.db2.gz VJJJOYBZIXDYLV-DLBZAZTESA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000658542510 485157513 /nfs/dbraw/zinc/15/75/13/485157513.db2.gz VJJJOYBZIXDYLV-DLBZAZTESA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000658542511 485157453 /nfs/dbraw/zinc/15/74/53/485157453.db2.gz VJJJOYBZIXDYLV-IAGOWNOFSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000658542511 485157448 /nfs/dbraw/zinc/15/74/48/485157448.db2.gz VJJJOYBZIXDYLV-IAGOWNOFSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000658542511 485157442 /nfs/dbraw/zinc/15/74/42/485157442.db2.gz VJJJOYBZIXDYLV-IAGOWNOFSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000658542512 485156889 /nfs/dbraw/zinc/15/68/89/485156889.db2.gz VJJJOYBZIXDYLV-IRXDYDNUSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000658542512 485156885 /nfs/dbraw/zinc/15/68/85/485156885.db2.gz VJJJOYBZIXDYLV-IRXDYDNUSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000658542512 485156881 /nfs/dbraw/zinc/15/68/81/485156881.db2.gz VJJJOYBZIXDYLV-IRXDYDNUSA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000658542513 485156980 /nfs/dbraw/zinc/15/69/80/485156980.db2.gz VJJJOYBZIXDYLV-SJORKVTESA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000658542513 485156978 /nfs/dbraw/zinc/15/69/78/485156978.db2.gz VJJJOYBZIXDYLV-SJORKVTESA-N 2 1 364.490 -0.261 20 0 FBADMP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000658542513 485156976 /nfs/dbraw/zinc/15/69/76/485156976.db2.gz VJJJOYBZIXDYLV-SJORKVTESA-N 2 1 364.490 -0.261 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658542593 485157308 /nfs/dbraw/zinc/15/73/08/485157308.db2.gz WLYVPNUEQLZZKW-INIZCTEOSA-N 2 1 370.494 -0.919 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658542597 485157346 /nfs/dbraw/zinc/15/73/46/485157346.db2.gz WLYVPNUEQLZZKW-MRXNPFEDSA-N 2 1 370.494 -0.919 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000658549313 485158183 /nfs/dbraw/zinc/15/81/83/485158183.db2.gz ZXTYIIXSPBYIOC-KRWDZBQOSA-N 2 1 365.522 -0.365 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000658549315 485158969 /nfs/dbraw/zinc/15/89/69/485158969.db2.gz ZXTYIIXSPBYIOC-QGZVFWFLSA-N 2 1 365.522 -0.365 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658554676 485159692 /nfs/dbraw/zinc/15/96/92/485159692.db2.gz JSKZNIYZVZZEFS-INIZCTEOSA-N 2 1 351.495 -0.755 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658554677 485159591 /nfs/dbraw/zinc/15/95/91/485159591.db2.gz JSKZNIYZVZZEFS-MRXNPFEDSA-N 2 1 351.495 -0.755 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658567797 485161966 /nfs/dbraw/zinc/16/19/66/485161966.db2.gz DRICHMXIKLQTEC-KRWDZBQOSA-N 2 1 366.506 -0.012 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658567799 485162096 /nfs/dbraw/zinc/16/20/96/485162096.db2.gz DRICHMXIKLQTEC-QGZVFWFLSA-N 2 1 366.506 -0.012 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658569364 485162042 /nfs/dbraw/zinc/16/20/42/485162042.db2.gz PKNROIQFONOJHM-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658569364 485162038 /nfs/dbraw/zinc/16/20/38/485162038.db2.gz PKNROIQFONOJHM-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000658569364 485162036 /nfs/dbraw/zinc/16/20/36/485162036.db2.gz PKNROIQFONOJHM-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000658569364 485162033 /nfs/dbraw/zinc/16/20/33/485162033.db2.gz PKNROIQFONOJHM-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658569365 485162151 /nfs/dbraw/zinc/16/21/51/485162151.db2.gz PKNROIQFONOJHM-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658569365 485162147 /nfs/dbraw/zinc/16/21/47/485162147.db2.gz PKNROIQFONOJHM-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000658569365 485162143 /nfs/dbraw/zinc/16/21/43/485162143.db2.gz PKNROIQFONOJHM-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000658569365 485162139 /nfs/dbraw/zinc/16/21/39/485162139.db2.gz PKNROIQFONOJHM-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658576635 485163088 /nfs/dbraw/zinc/16/30/88/485163088.db2.gz INRJXKFXAVVLLD-KRWDZBQOSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658576635 485163085 /nfs/dbraw/zinc/16/30/85/485163085.db2.gz INRJXKFXAVVLLD-KRWDZBQOSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658576638 485162683 /nfs/dbraw/zinc/16/26/83/485162683.db2.gz INRJXKFXAVVLLD-QGZVFWFLSA-N 2 1 364.490 -0.259 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658576638 485162680 /nfs/dbraw/zinc/16/26/80/485162680.db2.gz INRJXKFXAVVLLD-QGZVFWFLSA-N 2 1 364.490 -0.259 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658598605 484330042 /nfs/dbraw/zinc/33/00/42/484330042.db2.gz ASVMXMNDBJTYTN-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658598605 484330039 /nfs/dbraw/zinc/33/00/39/484330039.db2.gz ASVMXMNDBJTYTN-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658598605 484330030 /nfs/dbraw/zinc/33/00/30/484330030.db2.gz ASVMXMNDBJTYTN-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658598605 484330023 /nfs/dbraw/zinc/33/00/23/484330023.db2.gz ASVMXMNDBJTYTN-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658598608 484328773 /nfs/dbraw/zinc/32/87/73/484328773.db2.gz ASVMXMNDBJTYTN-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658598608 484328767 /nfs/dbraw/zinc/32/87/67/484328767.db2.gz ASVMXMNDBJTYTN-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658598608 484328761 /nfs/dbraw/zinc/32/87/61/484328761.db2.gz ASVMXMNDBJTYTN-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658598608 484328753 /nfs/dbraw/zinc/32/87/53/484328753.db2.gz ASVMXMNDBJTYTN-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658598612 484329858 /nfs/dbraw/zinc/32/98/58/484329858.db2.gz ASVMXMNDBJTYTN-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658598612 484329851 /nfs/dbraw/zinc/32/98/51/484329851.db2.gz ASVMXMNDBJTYTN-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658598612 484329843 /nfs/dbraw/zinc/32/98/43/484329843.db2.gz ASVMXMNDBJTYTN-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658598612 484329837 /nfs/dbraw/zinc/32/98/37/484329837.db2.gz ASVMXMNDBJTYTN-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658598615 484329238 /nfs/dbraw/zinc/32/92/38/484329238.db2.gz ASVMXMNDBJTYTN-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658598615 484329233 /nfs/dbraw/zinc/32/92/33/484329233.db2.gz ASVMXMNDBJTYTN-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658598615 484329227 /nfs/dbraw/zinc/32/92/27/484329227.db2.gz ASVMXMNDBJTYTN-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658598615 484329220 /nfs/dbraw/zinc/32/92/20/484329220.db2.gz ASVMXMNDBJTYTN-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@H]1C ZINC000658600189 485166615 /nfs/dbraw/zinc/16/66/15/485166615.db2.gz GVTXARWGYWDHKA-HLLBOEOZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H]1C ZINC000658600189 485166611 /nfs/dbraw/zinc/16/66/11/485166611.db2.gz GVTXARWGYWDHKA-HLLBOEOZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H]1C ZINC000658600189 485166608 /nfs/dbraw/zinc/16/66/08/485166608.db2.gz GVTXARWGYWDHKA-HLLBOEOZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H]1C ZINC000658600189 485166604 /nfs/dbraw/zinc/16/66/04/485166604.db2.gz GVTXARWGYWDHKA-HLLBOEOZSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@H]1C ZINC000658600194 485166173 /nfs/dbraw/zinc/16/61/73/485166173.db2.gz GVTXARWGYWDHKA-VYDXJSESSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H]1C ZINC000658600194 485166169 /nfs/dbraw/zinc/16/61/69/485166169.db2.gz GVTXARWGYWDHKA-VYDXJSESSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H]1C ZINC000658600194 485166167 /nfs/dbraw/zinc/16/61/67/485166167.db2.gz GVTXARWGYWDHKA-VYDXJSESSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H]1C ZINC000658600194 485166162 /nfs/dbraw/zinc/16/61/62/485166162.db2.gz GVTXARWGYWDHKA-VYDXJSESSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@@H]1C ZINC000658600201 485166343 /nfs/dbraw/zinc/16/63/43/485166343.db2.gz GVTXARWGYWDHKA-YQQAZPJKSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@@H]1C ZINC000658600201 485166341 /nfs/dbraw/zinc/16/63/41/485166341.db2.gz GVTXARWGYWDHKA-YQQAZPJKSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@@H]1C ZINC000658600201 485166336 /nfs/dbraw/zinc/16/63/36/485166336.db2.gz GVTXARWGYWDHKA-YQQAZPJKSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@@H]1C ZINC000658600201 485166334 /nfs/dbraw/zinc/16/63/34/485166334.db2.gz GVTXARWGYWDHKA-YQQAZPJKSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@@H]1C ZINC000658600208 485166086 /nfs/dbraw/zinc/16/60/86/485166086.db2.gz GVTXARWGYWDHKA-ZOBUZTSGSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@@H]1C ZINC000658600208 485166083 /nfs/dbraw/zinc/16/60/83/485166083.db2.gz GVTXARWGYWDHKA-ZOBUZTSGSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@@H]1C ZINC000658600208 485166079 /nfs/dbraw/zinc/16/60/79/485166079.db2.gz GVTXARWGYWDHKA-ZOBUZTSGSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@@H]1C ZINC000658600208 485166075 /nfs/dbraw/zinc/16/60/75/485166075.db2.gz GVTXARWGYWDHKA-ZOBUZTSGSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658602213 484334347 /nfs/dbraw/zinc/33/43/47/484334347.db2.gz SIUKPCPYOVVDKM-CVEARBPZSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658602213 484334336 /nfs/dbraw/zinc/33/43/36/484334336.db2.gz SIUKPCPYOVVDKM-CVEARBPZSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658602217 484334943 /nfs/dbraw/zinc/33/49/43/484334943.db2.gz SIUKPCPYOVVDKM-HOTGVXAUSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658602217 484334937 /nfs/dbraw/zinc/33/49/37/484334937.db2.gz SIUKPCPYOVVDKM-HOTGVXAUSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658602222 484334897 /nfs/dbraw/zinc/33/48/97/484334897.db2.gz SIUKPCPYOVVDKM-HZPDHXFCSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658602222 484334893 /nfs/dbraw/zinc/33/48/93/484334893.db2.gz SIUKPCPYOVVDKM-HZPDHXFCSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658602227 484334689 /nfs/dbraw/zinc/33/46/89/484334689.db2.gz SIUKPCPYOVVDKM-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658602227 484334683 /nfs/dbraw/zinc/33/46/83/484334683.db2.gz SIUKPCPYOVVDKM-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC000658616159 485168385 /nfs/dbraw/zinc/16/83/85/485168385.db2.gz YEQXHTKLSRWNCH-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC000658616159 485168382 /nfs/dbraw/zinc/16/83/82/485168382.db2.gz YEQXHTKLSRWNCH-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1C ZINC000658616159 485168377 /nfs/dbraw/zinc/16/83/77/485168377.db2.gz YEQXHTKLSRWNCH-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1C ZINC000658616159 485168374 /nfs/dbraw/zinc/16/83/74/485168374.db2.gz YEQXHTKLSRWNCH-DLBZAZTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC000658616162 485168916 /nfs/dbraw/zinc/16/89/16/485168916.db2.gz YEQXHTKLSRWNCH-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC000658616162 485168911 /nfs/dbraw/zinc/16/89/11/485168911.db2.gz YEQXHTKLSRWNCH-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1C ZINC000658616162 485168907 /nfs/dbraw/zinc/16/89/07/485168907.db2.gz YEQXHTKLSRWNCH-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1C ZINC000658616162 485168902 /nfs/dbraw/zinc/16/89/02/485168902.db2.gz YEQXHTKLSRWNCH-IAGOWNOFSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC000658616164 485168277 /nfs/dbraw/zinc/16/82/77/485168277.db2.gz YEQXHTKLSRWNCH-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC000658616164 485168274 /nfs/dbraw/zinc/16/82/74/485168274.db2.gz YEQXHTKLSRWNCH-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1C ZINC000658616164 485168271 /nfs/dbraw/zinc/16/82/71/485168271.db2.gz YEQXHTKLSRWNCH-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1C ZINC000658616164 485168268 /nfs/dbraw/zinc/16/82/68/485168268.db2.gz YEQXHTKLSRWNCH-IRXDYDNUSA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC000658616166 485168194 /nfs/dbraw/zinc/16/81/94/485168194.db2.gz YEQXHTKLSRWNCH-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC000658616166 485168191 /nfs/dbraw/zinc/16/81/91/485168191.db2.gz YEQXHTKLSRWNCH-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1C ZINC000658616166 485168190 /nfs/dbraw/zinc/16/81/90/485168190.db2.gz YEQXHTKLSRWNCH-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1C ZINC000658616166 485168187 /nfs/dbraw/zinc/16/81/87/485168187.db2.gz YEQXHTKLSRWNCH-SJORKVTESA-N 2 1 366.506 -0.157 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658624071 485169572 /nfs/dbraw/zinc/16/95/72/485169572.db2.gz IROZXMAFWYUJIY-AWEZNQCLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658624074 485169700 /nfs/dbraw/zinc/16/97/00/485169700.db2.gz IROZXMAFWYUJIY-CQSZACIVSA-N 2 1 352.479 -0.282 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658644925 485170219 /nfs/dbraw/zinc/17/02/19/485170219.db2.gz OOHSYJMVHFEHGR-BRWVUGGUSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658644927 485170460 /nfs/dbraw/zinc/17/04/60/485170460.db2.gz OOHSYJMVHFEHGR-GVDBMIGSSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658644929 485170798 /nfs/dbraw/zinc/17/07/98/485170798.db2.gz OOHSYJMVHFEHGR-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658644931 485170591 /nfs/dbraw/zinc/17/05/91/485170591.db2.gz OOHSYJMVHFEHGR-YESZJQIVSA-N 2 1 364.490 -0.138 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658652253 485171433 /nfs/dbraw/zinc/17/14/33/485171433.db2.gz XCPHJCAXNAMBFP-INIZCTEOSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658652255 485171474 /nfs/dbraw/zinc/17/14/74/485171474.db2.gz XCPHJCAXNAMBFP-MRXNPFEDSA-N 2 1 354.495 -0.156 20 0 FBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000658657004 485171455 /nfs/dbraw/zinc/17/14/55/485171455.db2.gz KUIWQQKPBNAISS-UHFFFAOYSA-N 2 1 354.495 -0.177 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658678024 485174408 /nfs/dbraw/zinc/17/44/08/485174408.db2.gz FRSAWNNLNVREDN-INIZCTEOSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658678026 485174078 /nfs/dbraw/zinc/17/40/78/485174078.db2.gz FRSAWNNLNVREDN-MRXNPFEDSA-N 2 1 354.495 -0.157 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175917 /nfs/dbraw/zinc/17/59/17/485175917.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175913 /nfs/dbraw/zinc/17/59/13/485175913.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175910 /nfs/dbraw/zinc/17/59/10/485175910.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175846 /nfs/dbraw/zinc/17/58/46/485175846.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175843 /nfs/dbraw/zinc/17/58/43/485175843.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175839 /nfs/dbraw/zinc/17/58/39/485175839.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 2 1 352.479 -0.403 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1CCOC ZINC000658693882 485176002 /nfs/dbraw/zinc/17/60/02/485176002.db2.gz ANORQYDTSVZZPC-INIZCTEOSA-N 2 1 354.495 -0.034 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658693882 485175998 /nfs/dbraw/zinc/17/59/98/485175998.db2.gz ANORQYDTSVZZPC-INIZCTEOSA-N 2 1 354.495 -0.034 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1CCOC ZINC000658693883 485176095 /nfs/dbraw/zinc/17/60/95/485176095.db2.gz ANORQYDTSVZZPC-MRXNPFEDSA-N 2 1 354.495 -0.034 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658693883 485176093 /nfs/dbraw/zinc/17/60/93/485176093.db2.gz ANORQYDTSVZZPC-MRXNPFEDSA-N 2 1 354.495 -0.034 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658711680 485178757 /nfs/dbraw/zinc/17/87/57/485178757.db2.gz OQKNCMPUJQQIFU-DJIMGWMZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658711680 485178754 /nfs/dbraw/zinc/17/87/54/485178754.db2.gz OQKNCMPUJQQIFU-DJIMGWMZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658711680 485178751 /nfs/dbraw/zinc/17/87/51/485178751.db2.gz OQKNCMPUJQQIFU-DJIMGWMZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658711682 485179703 /nfs/dbraw/zinc/17/97/03/485179703.db2.gz OQKNCMPUJQQIFU-HYVNUMGLSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658711682 485179700 /nfs/dbraw/zinc/17/97/00/485179700.db2.gz OQKNCMPUJQQIFU-HYVNUMGLSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658711682 485179697 /nfs/dbraw/zinc/17/96/97/485179697.db2.gz OQKNCMPUJQQIFU-HYVNUMGLSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC000658711684 485179598 /nfs/dbraw/zinc/17/95/98/485179598.db2.gz OQKNCMPUJQQIFU-OIISXLGYSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC000658711684 485179596 /nfs/dbraw/zinc/17/95/96/485179596.db2.gz OQKNCMPUJQQIFU-OIISXLGYSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC000658711684 485179594 /nfs/dbraw/zinc/17/95/94/485179594.db2.gz OQKNCMPUJQQIFU-OIISXLGYSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC000658711686 485179469 /nfs/dbraw/zinc/17/94/69/485179469.db2.gz OQKNCMPUJQQIFU-PVAVHDDUSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC000658711686 485179466 /nfs/dbraw/zinc/17/94/66/485179466.db2.gz OQKNCMPUJQQIFU-PVAVHDDUSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC000658711686 485179461 /nfs/dbraw/zinc/17/94/61/485179461.db2.gz OQKNCMPUJQQIFU-PVAVHDDUSA-N 2 1 364.490 -0.403 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000658731873 484191297 /nfs/dbraw/zinc/19/12/97/484191297.db2.gz PUHKVNBABRPOGJ-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000658731873 484191296 /nfs/dbraw/zinc/19/12/96/484191296.db2.gz PUHKVNBABRPOGJ-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000658731880 484191231 /nfs/dbraw/zinc/19/12/31/484191231.db2.gz PUHKVNBABRPOGJ-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000658731880 484191228 /nfs/dbraw/zinc/19/12/28/484191228.db2.gz PUHKVNBABRPOGJ-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658737122 485181241 /nfs/dbraw/zinc/18/12/41/485181241.db2.gz NUTQMJHFGINYPE-INIZCTEOSA-N 2 1 366.506 -0.013 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658737123 485180894 /nfs/dbraw/zinc/18/08/94/485180894.db2.gz NUTQMJHFGINYPE-MRXNPFEDSA-N 2 1 366.506 -0.013 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658747742 484254301 /nfs/dbraw/zinc/25/43/01/484254301.db2.gz QCYXZZMNSGPQTM-JKSUJKDBSA-N 2 1 352.479 -0.139 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752444 484301194 /nfs/dbraw/zinc/30/11/94/484301194.db2.gz WHQMWIBIHXFUTF-DLBZAZTESA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752444 484301190 /nfs/dbraw/zinc/30/11/90/484301190.db2.gz WHQMWIBIHXFUTF-DLBZAZTESA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752444 484301186 /nfs/dbraw/zinc/30/11/86/484301186.db2.gz WHQMWIBIHXFUTF-DLBZAZTESA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752451 484301094 /nfs/dbraw/zinc/30/10/94/484301094.db2.gz WHQMWIBIHXFUTF-IAGOWNOFSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752451 484301091 /nfs/dbraw/zinc/30/10/91/484301091.db2.gz WHQMWIBIHXFUTF-IAGOWNOFSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752451 484301088 /nfs/dbraw/zinc/30/10/88/484301088.db2.gz WHQMWIBIHXFUTF-IAGOWNOFSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658752454 484301026 /nfs/dbraw/zinc/30/10/26/484301026.db2.gz WHQMWIBIHXFUTF-IRXDYDNUSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658752454 484301023 /nfs/dbraw/zinc/30/10/23/484301023.db2.gz WHQMWIBIHXFUTF-IRXDYDNUSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658752454 484301019 /nfs/dbraw/zinc/30/10/19/484301019.db2.gz WHQMWIBIHXFUTF-IRXDYDNUSA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658752458 484299819 /nfs/dbraw/zinc/29/98/19/484299819.db2.gz WHQMWIBIHXFUTF-SJORKVTESA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658752458 484299811 /nfs/dbraw/zinc/29/98/11/484299811.db2.gz WHQMWIBIHXFUTF-SJORKVTESA-N 2 1 366.506 -0.015 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658752458 484299807 /nfs/dbraw/zinc/29/98/07/484299807.db2.gz WHQMWIBIHXFUTF-SJORKVTESA-N 2 1 366.506 -0.015 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658757288 485183123 /nfs/dbraw/zinc/18/31/23/485183123.db2.gz HHMXTZUEUOYDSJ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658757288 485183118 /nfs/dbraw/zinc/18/31/18/485183118.db2.gz HHMXTZUEUOYDSJ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658757288 485183116 /nfs/dbraw/zinc/18/31/16/485183116.db2.gz HHMXTZUEUOYDSJ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658757289 485183365 /nfs/dbraw/zinc/18/33/65/485183365.db2.gz HHMXTZUEUOYDSJ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658757289 485183364 /nfs/dbraw/zinc/18/33/64/485183364.db2.gz HHMXTZUEUOYDSJ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658757289 485183359 /nfs/dbraw/zinc/18/33/59/485183359.db2.gz HHMXTZUEUOYDSJ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658757290 485182894 /nfs/dbraw/zinc/18/28/94/485182894.db2.gz HHMXTZUEUOYDSJ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658757290 485182888 /nfs/dbraw/zinc/18/28/88/485182888.db2.gz HHMXTZUEUOYDSJ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658757290 485182883 /nfs/dbraw/zinc/18/28/83/485182883.db2.gz HHMXTZUEUOYDSJ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658757291 485183088 /nfs/dbraw/zinc/18/30/88/485183088.db2.gz HHMXTZUEUOYDSJ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658757291 485183086 /nfs/dbraw/zinc/18/30/86/485183086.db2.gz HHMXTZUEUOYDSJ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658757291 485183081 /nfs/dbraw/zinc/18/30/81/485183081.db2.gz HHMXTZUEUOYDSJ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658770707 485184897 /nfs/dbraw/zinc/18/48/97/485184897.db2.gz RVALUXXOVGCYLD-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658770707 485184896 /nfs/dbraw/zinc/18/48/96/485184896.db2.gz RVALUXXOVGCYLD-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658770707 485184892 /nfs/dbraw/zinc/18/48/92/485184892.db2.gz RVALUXXOVGCYLD-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658770708 485184788 /nfs/dbraw/zinc/18/47/88/485184788.db2.gz RVALUXXOVGCYLD-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658770708 485184787 /nfs/dbraw/zinc/18/47/87/485184787.db2.gz RVALUXXOVGCYLD-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658770708 485184783 /nfs/dbraw/zinc/18/47/83/485184783.db2.gz RVALUXXOVGCYLD-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658770709 485185240 /nfs/dbraw/zinc/18/52/40/485185240.db2.gz RVALUXXOVGCYLD-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658770709 485185236 /nfs/dbraw/zinc/18/52/36/485185236.db2.gz RVALUXXOVGCYLD-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658770709 485185234 /nfs/dbraw/zinc/18/52/34/485185234.db2.gz RVALUXXOVGCYLD-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658770710 485184839 /nfs/dbraw/zinc/18/48/39/485184839.db2.gz RVALUXXOVGCYLD-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658770710 485184838 /nfs/dbraw/zinc/18/48/38/485184838.db2.gz RVALUXXOVGCYLD-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658770710 485184836 /nfs/dbraw/zinc/18/48/36/485184836.db2.gz RVALUXXOVGCYLD-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000658776641 485184800 /nfs/dbraw/zinc/18/48/00/485184800.db2.gz YNZCYBNUPPTZJT-AWEZNQCLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000658776642 485185144 /nfs/dbraw/zinc/18/51/44/485185144.db2.gz YNZCYBNUPPTZJT-CQSZACIVSA-N 2 1 367.494 -0.792 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658782860 485186030 /nfs/dbraw/zinc/18/60/30/485186030.db2.gz VIRVVACDOLTTAM-KRWDZBQOSA-N 2 1 366.506 -0.012 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658782861 485186431 /nfs/dbraw/zinc/18/64/31/485186431.db2.gz VIRVVACDOLTTAM-QGZVFWFLSA-N 2 1 366.506 -0.012 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658800791 485188491 /nfs/dbraw/zinc/18/84/91/485188491.db2.gz AHVOKFWMJSIQDA-INIZCTEOSA-N 2 1 353.511 -0.365 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800792 485187799 /nfs/dbraw/zinc/18/77/99/485187799.db2.gz AHVOKFWMJSIQDA-MRXNPFEDSA-N 2 1 353.511 -0.365 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000658800823 485188593 /nfs/dbraw/zinc/18/85/93/485188593.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000658800823 485188592 /nfs/dbraw/zinc/18/85/92/485188592.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H]1CC[NH+](C)C1 ZINC000658800823 485188589 /nfs/dbraw/zinc/18/85/89/485188589.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1CC[NH+](C)C1 ZINC000658800823 485188586 /nfs/dbraw/zinc/18/85/86/485188586.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000658800823 485188584 /nfs/dbraw/zinc/18/85/84/485188584.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000658800824 485188047 /nfs/dbraw/zinc/18/80/47/485188047.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000658800824 485188043 /nfs/dbraw/zinc/18/80/43/485188043.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1CC[NH+](C)C1 ZINC000658800824 485188036 /nfs/dbraw/zinc/18/80/36/485188036.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1CC[NH+](C)C1 ZINC000658800824 485188031 /nfs/dbraw/zinc/18/80/31/485188031.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000658800824 485188025 /nfs/dbraw/zinc/18/80/25/485188025.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 1 355.527 -0.119 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658800847 485188549 /nfs/dbraw/zinc/18/85/49/485188549.db2.gz BHMZRBAJESYDNI-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658800847 485188545 /nfs/dbraw/zinc/18/85/45/485188545.db2.gz BHMZRBAJESYDNI-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658800848 485187742 /nfs/dbraw/zinc/18/77/42/485187742.db2.gz BHMZRBAJESYDNI-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658800848 485187739 /nfs/dbraw/zinc/18/77/39/485187739.db2.gz BHMZRBAJESYDNI-HOTGVXAUSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800849 485188446 /nfs/dbraw/zinc/18/84/46/485188446.db2.gz BHMZRBAJESYDNI-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658800849 485188442 /nfs/dbraw/zinc/18/84/42/485188442.db2.gz BHMZRBAJESYDNI-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800850 485188090 /nfs/dbraw/zinc/18/80/90/485188090.db2.gz BHMZRBAJESYDNI-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658800850 485188083 /nfs/dbraw/zinc/18/80/83/485188083.db2.gz BHMZRBAJESYDNI-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658800935 485188616 /nfs/dbraw/zinc/18/86/16/485188616.db2.gz CRHXRFVMSURGMV-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658800935 485188613 /nfs/dbraw/zinc/18/86/13/485188613.db2.gz CRHXRFVMSURGMV-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800936 485188292 /nfs/dbraw/zinc/18/82/92/485188292.db2.gz CRHXRFVMSURGMV-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658800936 485188287 /nfs/dbraw/zinc/18/82/87/485188287.db2.gz CRHXRFVMSURGMV-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658802770 485189737 /nfs/dbraw/zinc/18/97/37/485189737.db2.gz LMGDMHJZEILOIQ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658802770 485189734 /nfs/dbraw/zinc/18/97/34/485189734.db2.gz LMGDMHJZEILOIQ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658802770 485189732 /nfs/dbraw/zinc/18/97/32/485189732.db2.gz LMGDMHJZEILOIQ-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658802772 485189869 /nfs/dbraw/zinc/18/98/69/485189869.db2.gz LMGDMHJZEILOIQ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658802772 485189864 /nfs/dbraw/zinc/18/98/64/485189864.db2.gz LMGDMHJZEILOIQ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658802772 485189860 /nfs/dbraw/zinc/18/98/60/485189860.db2.gz LMGDMHJZEILOIQ-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658802774 485189123 /nfs/dbraw/zinc/18/91/23/485189123.db2.gz LMGDMHJZEILOIQ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658802774 485189120 /nfs/dbraw/zinc/18/91/20/485189120.db2.gz LMGDMHJZEILOIQ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658802774 485189117 /nfs/dbraw/zinc/18/91/17/485189117.db2.gz LMGDMHJZEILOIQ-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658802775 485189595 /nfs/dbraw/zinc/18/95/95/485189595.db2.gz LMGDMHJZEILOIQ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658802775 485189589 /nfs/dbraw/zinc/18/95/89/485189589.db2.gz LMGDMHJZEILOIQ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658802775 485189585 /nfs/dbraw/zinc/18/95/85/485189585.db2.gz LMGDMHJZEILOIQ-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1CC[NH+](C)C1 ZINC000658803365 484481866 /nfs/dbraw/zinc/48/18/66/484481866.db2.gz SMIKPRLCCXWEEC-INIZCTEOSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803365 484481862 /nfs/dbraw/zinc/48/18/62/484481862.db2.gz SMIKPRLCCXWEEC-INIZCTEOSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658803366 484481268 /nfs/dbraw/zinc/48/12/68/484481268.db2.gz SMIKPRLCCXWEEC-MRXNPFEDSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803366 484481261 /nfs/dbraw/zinc/48/12/61/484481261.db2.gz SMIKPRLCCXWEEC-MRXNPFEDSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658803867 485190009 /nfs/dbraw/zinc/19/00/09/485190009.db2.gz QZGAIZINCQTPRY-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803868 485189907 /nfs/dbraw/zinc/18/99/07/485189907.db2.gz QZGAIZINCQTPRY-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804910 485189495 /nfs/dbraw/zinc/18/94/95/485189495.db2.gz YKAGCLMUYQFNLJ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804910 485189492 /nfs/dbraw/zinc/18/94/92/485189492.db2.gz YKAGCLMUYQFNLJ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658804910 485189487 /nfs/dbraw/zinc/18/94/87/485189487.db2.gz YKAGCLMUYQFNLJ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804910 485189482 /nfs/dbraw/zinc/18/94/82/485189482.db2.gz YKAGCLMUYQFNLJ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804912 485190048 /nfs/dbraw/zinc/19/00/48/485190048.db2.gz YKAGCLMUYQFNLJ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804912 485190045 /nfs/dbraw/zinc/19/00/45/485190045.db2.gz YKAGCLMUYQFNLJ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658804912 485190043 /nfs/dbraw/zinc/19/00/43/485190043.db2.gz YKAGCLMUYQFNLJ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804912 485190038 /nfs/dbraw/zinc/19/00/38/485190038.db2.gz YKAGCLMUYQFNLJ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804914 485189241 /nfs/dbraw/zinc/18/92/41/485189241.db2.gz YKAGCLMUYQFNLJ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804914 485189238 /nfs/dbraw/zinc/18/92/38/485189238.db2.gz YKAGCLMUYQFNLJ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804914 485189235 /nfs/dbraw/zinc/18/92/35/485189235.db2.gz YKAGCLMUYQFNLJ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804914 485189232 /nfs/dbraw/zinc/18/92/32/485189232.db2.gz YKAGCLMUYQFNLJ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804916 485189188 /nfs/dbraw/zinc/18/91/88/485189188.db2.gz YKAGCLMUYQFNLJ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804916 485189185 /nfs/dbraw/zinc/18/91/85/485189185.db2.gz YKAGCLMUYQFNLJ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804916 485189183 /nfs/dbraw/zinc/18/91/83/485189183.db2.gz YKAGCLMUYQFNLJ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804916 485189178 /nfs/dbraw/zinc/18/91/78/485189178.db2.gz YKAGCLMUYQFNLJ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658808206 484490403 /nfs/dbraw/zinc/49/04/03/484490403.db2.gz VIXWQJWIFXOILL-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658808206 484490396 /nfs/dbraw/zinc/49/03/96/484490396.db2.gz VIXWQJWIFXOILL-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658808206 484490392 /nfs/dbraw/zinc/49/03/92/484490392.db2.gz VIXWQJWIFXOILL-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658808211 484489315 /nfs/dbraw/zinc/48/93/15/484489315.db2.gz VIXWQJWIFXOILL-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658808211 484489310 /nfs/dbraw/zinc/48/93/10/484489310.db2.gz VIXWQJWIFXOILL-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658808211 484489307 /nfs/dbraw/zinc/48/93/07/484489307.db2.gz VIXWQJWIFXOILL-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658808216 484489359 /nfs/dbraw/zinc/48/93/59/484489359.db2.gz VIXWQJWIFXOILL-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658808216 484489355 /nfs/dbraw/zinc/48/93/55/484489355.db2.gz VIXWQJWIFXOILL-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658808216 484489352 /nfs/dbraw/zinc/48/93/52/484489352.db2.gz VIXWQJWIFXOILL-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658808217 484490481 /nfs/dbraw/zinc/49/04/81/484490481.db2.gz VIXWQJWIFXOILL-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH+](C)C1 ZINC000658808217 484490477 /nfs/dbraw/zinc/49/04/77/484490477.db2.gz VIXWQJWIFXOILL-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658808217 484490472 /nfs/dbraw/zinc/49/04/72/484490472.db2.gz VIXWQJWIFXOILL-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820130 484545716 /nfs/dbraw/zinc/54/57/16/484545716.db2.gz CRZSOZLBEZDVMN-HNNXBMFYSA-N 2 1 367.494 -0.839 20 0 FBADMP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658820131 484546279 /nfs/dbraw/zinc/54/62/79/484546279.db2.gz CRZSOZLBEZDVMN-OAHLLOKOSA-N 2 1 367.494 -0.839 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820497 484549175 /nfs/dbraw/zinc/54/91/75/484549175.db2.gz FFIGFZBBTSSERF-HOTGVXAUSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658820498 484549507 /nfs/dbraw/zinc/54/95/07/484549507.db2.gz FFIGFZBBTSSERF-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820499 484549443 /nfs/dbraw/zinc/54/94/43/484549443.db2.gz FFIGFZBBTSSERF-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658822936 485190707 /nfs/dbraw/zinc/19/07/07/485190707.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658822936 485190704 /nfs/dbraw/zinc/19/07/04/485190704.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658822936 485190702 /nfs/dbraw/zinc/19/07/02/485190702.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658822942 485191239 /nfs/dbraw/zinc/19/12/39/485191239.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658822942 485191232 /nfs/dbraw/zinc/19/12/32/485191232.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658822942 485191224 /nfs/dbraw/zinc/19/12/24/485191224.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658822946 485190842 /nfs/dbraw/zinc/19/08/42/485190842.db2.gz MOQAFLZQNNBVAE-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658822946 485190839 /nfs/dbraw/zinc/19/08/39/485190839.db2.gz MOQAFLZQNNBVAE-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658822946 485190836 /nfs/dbraw/zinc/19/08/36/485190836.db2.gz MOQAFLZQNNBVAE-IRXDYDNUSA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658822951 485191402 /nfs/dbraw/zinc/19/14/02/485191402.db2.gz MOQAFLZQNNBVAE-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658822951 485191398 /nfs/dbraw/zinc/19/13/98/485191398.db2.gz MOQAFLZQNNBVAE-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658822951 485191394 /nfs/dbraw/zinc/19/13/94/485191394.db2.gz MOQAFLZQNNBVAE-SJORKVTESA-N 2 1 366.506 -0.013 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658828208 485192460 /nfs/dbraw/zinc/19/24/60/485192460.db2.gz BKCZCDNLBWIKHV-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658828208 485192457 /nfs/dbraw/zinc/19/24/57/485192457.db2.gz BKCZCDNLBWIKHV-HNNXBMFYSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658828209 485191849 /nfs/dbraw/zinc/19/18/49/485191849.db2.gz BKCZCDNLBWIKHV-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658828209 485191845 /nfs/dbraw/zinc/19/18/45/485191845.db2.gz BKCZCDNLBWIKHV-OAHLLOKOSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902939 485199018 /nfs/dbraw/zinc/19/90/18/485199018.db2.gz JFOWDYIXNGMLFO-DOTOQJQBSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902939 485199016 /nfs/dbraw/zinc/19/90/16/485199016.db2.gz JFOWDYIXNGMLFO-DOTOQJQBSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902940 485198930 /nfs/dbraw/zinc/19/89/30/485198930.db2.gz JFOWDYIXNGMLFO-NVXWUHKLSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902940 485198928 /nfs/dbraw/zinc/19/89/28/485198928.db2.gz JFOWDYIXNGMLFO-NVXWUHKLSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902941 485200263 /nfs/dbraw/zinc/20/02/63/485200263.db2.gz JFOWDYIXNGMLFO-RDJZCZTQSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902941 485200261 /nfs/dbraw/zinc/20/02/61/485200261.db2.gz JFOWDYIXNGMLFO-RDJZCZTQSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902942 485200207 /nfs/dbraw/zinc/20/02/07/485200207.db2.gz JFOWDYIXNGMLFO-WBVHZDCISA-N 2 1 366.506 -0.013 20 0 FBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902942 485200205 /nfs/dbraw/zinc/20/02/05/485200205.db2.gz JFOWDYIXNGMLFO-WBVHZDCISA-N 2 1 366.506 -0.013 20 0 FBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658903182 485199490 /nfs/dbraw/zinc/19/94/90/485199490.db2.gz LDOCQBCSUQOSGN-BHYGNILZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658903182 485199486 /nfs/dbraw/zinc/19/94/86/485199486.db2.gz LDOCQBCSUQOSGN-BHYGNILZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658903182 485199480 /nfs/dbraw/zinc/19/94/80/485199480.db2.gz LDOCQBCSUQOSGN-BHYGNILZSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658903183 485200129 /nfs/dbraw/zinc/20/01/29/485200129.db2.gz LDOCQBCSUQOSGN-USXIJHARSA-N 2 1 364.490 -0.403 20 0 FBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658903183 485200127 /nfs/dbraw/zinc/20/01/27/485200127.db2.gz LDOCQBCSUQOSGN-USXIJHARSA-N 2 1 364.490 -0.403 20 0 FBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658903183 485200125 /nfs/dbraw/zinc/20/01/25/485200125.db2.gz LDOCQBCSUQOSGN-USXIJHARSA-N 2 1 364.490 -0.403 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000658903792 485199726 /nfs/dbraw/zinc/19/97/26/485199726.db2.gz PHPBGMYAKKBLCM-DLBZAZTESA-N 2 1 362.474 -0.483 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000658903793 485199837 /nfs/dbraw/zinc/19/98/37/485199837.db2.gz PHPBGMYAKKBLCM-IAGOWNOFSA-N 2 1 362.474 -0.483 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000658903794 485200097 /nfs/dbraw/zinc/20/00/97/485200097.db2.gz PHPBGMYAKKBLCM-IRXDYDNUSA-N 2 1 362.474 -0.483 20 0 FBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000658903795 485199562 /nfs/dbraw/zinc/19/95/62/485199562.db2.gz PHPBGMYAKKBLCM-SJORKVTESA-N 2 1 362.474 -0.483 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)[NH+]1C ZINC000658904112 483599817 /nfs/dbraw/zinc/59/98/17/483599817.db2.gz RJTHNELKYJUPRX-IJEWVQPXSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)[NH+]1C ZINC000658904112 483599812 /nfs/dbraw/zinc/59/98/12/483599812.db2.gz RJTHNELKYJUPRX-IJEWVQPXSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)[N@@H+]1C ZINC000658904112 483599808 /nfs/dbraw/zinc/59/98/08/483599808.db2.gz RJTHNELKYJUPRX-IJEWVQPXSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)[N@H+]1C ZINC000658904112 483599801 /nfs/dbraw/zinc/59/98/01/483599801.db2.gz RJTHNELKYJUPRX-IJEWVQPXSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@H](C)[NH+]1C ZINC000658904113 483599500 /nfs/dbraw/zinc/59/95/00/483599500.db2.gz RJTHNELKYJUPRX-LZWOXQAQSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H](C)[NH+]1C ZINC000658904113 483599494 /nfs/dbraw/zinc/59/94/94/483599494.db2.gz RJTHNELKYJUPRX-LZWOXQAQSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)[N@@H+]1C ZINC000658904113 483599489 /nfs/dbraw/zinc/59/94/89/483599489.db2.gz RJTHNELKYJUPRX-LZWOXQAQSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)[N@H+]1C ZINC000658904113 483599483 /nfs/dbraw/zinc/59/94/83/483599483.db2.gz RJTHNELKYJUPRX-LZWOXQAQSA-N 2 1 352.479 -0.405 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599739 /nfs/dbraw/zinc/59/97/39/483599739.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599736 /nfs/dbraw/zinc/59/97/36/483599736.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599728 /nfs/dbraw/zinc/59/97/28/483599728.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C[C@@H]21 ZINC000658904379 483599257 /nfs/dbraw/zinc/59/92/57/483599257.db2.gz SMZPVISEVVJLBZ-KBMXLJTQSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C[C@@H]21 ZINC000658904379 483599253 /nfs/dbraw/zinc/59/92/53/483599253.db2.gz SMZPVISEVVJLBZ-KBMXLJTQSA-N 2 1 350.463 -0.794 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658904614 483599983 /nfs/dbraw/zinc/59/99/83/483599983.db2.gz UEMYJMYRXDNBBA-INIZCTEOSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658904614 483599980 /nfs/dbraw/zinc/59/99/80/483599980.db2.gz UEMYJMYRXDNBBA-INIZCTEOSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658904616 483599538 /nfs/dbraw/zinc/59/95/38/483599538.db2.gz UEMYJMYRXDNBBA-MRXNPFEDSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658904616 483599533 /nfs/dbraw/zinc/59/95/33/483599533.db2.gz UEMYJMYRXDNBBA-MRXNPFEDSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904788 485200199 /nfs/dbraw/zinc/20/01/99/485200199.db2.gz VUPMOPKGDRUFFU-APWZRJJASA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904788 485200198 /nfs/dbraw/zinc/20/01/98/485200198.db2.gz VUPMOPKGDRUFFU-APWZRJJASA-N 2 1 364.490 -0.402 20 0 FBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904788 485200195 /nfs/dbraw/zinc/20/01/95/485200195.db2.gz VUPMOPKGDRUFFU-APWZRJJASA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904789 485200074 /nfs/dbraw/zinc/20/00/74/485200074.db2.gz VUPMOPKGDRUFFU-LPHOPBHVSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904789 485200070 /nfs/dbraw/zinc/20/00/70/485200070.db2.gz VUPMOPKGDRUFFU-LPHOPBHVSA-N 2 1 364.490 -0.402 20 0 FBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904789 485200067 /nfs/dbraw/zinc/20/00/67/485200067.db2.gz VUPMOPKGDRUFFU-LPHOPBHVSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904790 485199876 /nfs/dbraw/zinc/19/98/76/485199876.db2.gz VUPMOPKGDRUFFU-QFBILLFUSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904790 485199873 /nfs/dbraw/zinc/19/98/73/485199873.db2.gz VUPMOPKGDRUFFU-QFBILLFUSA-N 2 1 364.490 -0.402 20 0 FBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904790 485199868 /nfs/dbraw/zinc/19/98/68/485199868.db2.gz VUPMOPKGDRUFFU-QFBILLFUSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904791 485199688 /nfs/dbraw/zinc/19/96/88/485199688.db2.gz VUPMOPKGDRUFFU-VQIMIIECSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904791 485199684 /nfs/dbraw/zinc/19/96/84/485199684.db2.gz VUPMOPKGDRUFFU-VQIMIIECSA-N 2 1 364.490 -0.402 20 0 FBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904791 485199680 /nfs/dbraw/zinc/19/96/80/485199680.db2.gz VUPMOPKGDRUFFU-VQIMIIECSA-N 2 1 364.490 -0.402 20 0 FBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000658926471 485200231 /nfs/dbraw/zinc/20/02/31/485200231.db2.gz COMRLDMOFGFXFT-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000658926472 485200221 /nfs/dbraw/zinc/20/02/21/485200221.db2.gz COMRLDMOFGFXFT-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000658977794 483779182 /nfs/dbraw/zinc/77/91/82/483779182.db2.gz GXTNSCQNJBLASL-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000658977794 483779178 /nfs/dbraw/zinc/77/91/78/483779178.db2.gz GXTNSCQNJBLASL-INIZCTEOSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000658977800 483779162 /nfs/dbraw/zinc/77/91/62/483779162.db2.gz GXTNSCQNJBLASL-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000658977800 483779160 /nfs/dbraw/zinc/77/91/60/483779160.db2.gz GXTNSCQNJBLASL-MRXNPFEDSA-N 2 1 366.506 -0.012 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C[C@@H]21 ZINC000659007010 485202164 /nfs/dbraw/zinc/20/21/64/485202164.db2.gz MBHIEXCASUYPMS-HRCADAONSA-N 2 1 350.463 -0.385 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C[C@@H]21 ZINC000659007010 485202161 /nfs/dbraw/zinc/20/21/61/485202161.db2.gz MBHIEXCASUYPMS-HRCADAONSA-N 2 1 350.463 -0.385 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C[C@@H]21 ZINC000659007404 485202871 /nfs/dbraw/zinc/20/28/71/485202871.db2.gz MBHIEXCASUYPMS-OWCLPIDISA-N 2 1 350.463 -0.385 20 0 FBADMP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C[C@@H]21 ZINC000659007404 485202866 /nfs/dbraw/zinc/20/28/66/485202866.db2.gz MBHIEXCASUYPMS-OWCLPIDISA-N 2 1 350.463 -0.385 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H]1N1CCOCC1 ZINC000659007500 485202528 /nfs/dbraw/zinc/20/25/28/485202528.db2.gz WMGUKSUALLAQQX-BRWVUGGUSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@@H]1N1CCOCC1 ZINC000659007501 485202481 /nfs/dbraw/zinc/20/24/81/485202481.db2.gz WMGUKSUALLAQQX-IKGGRYGDSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H]1N1CCOCC1 ZINC000659007502 485202424 /nfs/dbraw/zinc/20/24/24/485202424.db2.gz WMGUKSUALLAQQX-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H]1N1CCOCC1 ZINC000659007503 485202211 /nfs/dbraw/zinc/20/22/11/485202211.db2.gz WMGUKSUALLAQQX-ZACQAIPSSA-N 2 1 364.490 -0.138 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000659023975 485201993 /nfs/dbraw/zinc/20/19/93/485201993.db2.gz PGMAVLXYHGAROJ-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659074345 485206546 /nfs/dbraw/zinc/20/65/46/485206546.db2.gz QGAROWKWXIAAPE-INIZCTEOSA-N 2 1 364.446 -0.284 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659074347 485206259 /nfs/dbraw/zinc/20/62/59/485206259.db2.gz QGAROWKWXIAAPE-MRXNPFEDSA-N 2 1 364.446 -0.284 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079616 485207568 /nfs/dbraw/zinc/20/75/68/485207568.db2.gz NQPJQZNFRDPCIO-INIZCTEOSA-N 2 1 364.446 -0.020 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079617 485207049 /nfs/dbraw/zinc/20/70/49/485207049.db2.gz NQPJQZNFRDPCIO-MRXNPFEDSA-N 2 1 364.446 -0.020 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659080279 484064931 /nfs/dbraw/zinc/06/49/31/484064931.db2.gz DZXZOMACQAZHSM-KRWDZBQOSA-N 2 1 365.522 -0.221 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659080280 484065964 /nfs/dbraw/zinc/06/59/64/484065964.db2.gz DZXZOMACQAZHSM-QGZVFWFLSA-N 2 1 365.522 -0.221 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659088922 484172570 /nfs/dbraw/zinc/17/25/70/484172570.db2.gz MRCJCDJWCZXETB-UHFFFAOYSA-N 2 1 361.446 -0.180 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102573 485209191 /nfs/dbraw/zinc/20/91/91/485209191.db2.gz FJQLJLCCZCSLOJ-CYBMUJFWSA-N 2 1 361.450 -0.575 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102574 485208849 /nfs/dbraw/zinc/20/88/49/485208849.db2.gz FJQLJLCCZCSLOJ-ZDUSSCGKSA-N 2 1 361.450 -0.575 20 0 FBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659105910 485210331 /nfs/dbraw/zinc/21/03/31/485210331.db2.gz CYAZTTJCIJDIAL-UHFFFAOYSA-N 2 1 359.430 -0.007 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659113983 485211130 /nfs/dbraw/zinc/21/11/30/485211130.db2.gz ZEEFXKZJUSOLKZ-CYBMUJFWSA-N 2 1 361.446 -0.263 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659113984 485211318 /nfs/dbraw/zinc/21/13/18/485211318.db2.gz ZEEFXKZJUSOLKZ-ZDUSSCGKSA-N 2 1 361.446 -0.263 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000659159240 485211144 /nfs/dbraw/zinc/21/11/44/485211144.db2.gz ICXBOMQGVHVVKC-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000659159240 485211140 /nfs/dbraw/zinc/21/11/40/485211140.db2.gz ICXBOMQGVHVVKC-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000659159241 485211195 /nfs/dbraw/zinc/21/11/95/485211195.db2.gz ICXBOMQGVHVVKC-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000659159241 485211191 /nfs/dbraw/zinc/21/11/91/485211191.db2.gz ICXBOMQGVHVVKC-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000659243148 485212476 /nfs/dbraw/zinc/21/24/76/485212476.db2.gz JBRCKUVJUVCSOR-HNNXBMFYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000659243150 485212245 /nfs/dbraw/zinc/21/22/45/485212245.db2.gz JBRCKUVJUVCSOR-OAHLLOKOSA-N 2 1 354.495 -0.110 20 0 FBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244292 484002463 /nfs/dbraw/zinc/00/24/63/484002463.db2.gz UTVVZQCEZIXADE-IBGZPJMESA-N 2 1 366.506 -0.154 20 0 FBADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244292 484002456 /nfs/dbraw/zinc/00/24/56/484002456.db2.gz UTVVZQCEZIXADE-IBGZPJMESA-N 2 1 366.506 -0.154 20 0 FBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244293 484003300 /nfs/dbraw/zinc/00/33/00/484003300.db2.gz UTVVZQCEZIXADE-LJQANCHMSA-N 2 1 366.506 -0.154 20 0 FBADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244293 484003291 /nfs/dbraw/zinc/00/32/91/484003291.db2.gz UTVVZQCEZIXADE-LJQANCHMSA-N 2 1 366.506 -0.154 20 0 FBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244302 485212975 /nfs/dbraw/zinc/21/29/75/485212975.db2.gz YFDKONJKPIPBGM-GOSISDBHSA-N 2 1 352.479 -0.544 20 0 FBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244302 485212972 /nfs/dbraw/zinc/21/29/72/485212972.db2.gz YFDKONJKPIPBGM-GOSISDBHSA-N 2 1 352.479 -0.544 20 0 FBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244303 485213615 /nfs/dbraw/zinc/21/36/15/485213615.db2.gz YFDKONJKPIPBGM-SFHVURJKSA-N 2 1 352.479 -0.544 20 0 FBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)C1 ZINC000659244303 485213612 /nfs/dbraw/zinc/21/36/12/485213612.db2.gz YFDKONJKPIPBGM-SFHVURJKSA-N 2 1 352.479 -0.544 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247869 485213822 /nfs/dbraw/zinc/21/38/22/485213822.db2.gz BENYTLZEOAUEMX-DLBZAZTESA-N 2 1 365.522 -0.223 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247870 485213424 /nfs/dbraw/zinc/21/34/24/485213424.db2.gz BENYTLZEOAUEMX-IAGOWNOFSA-N 2 1 365.522 -0.223 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247871 485213720 /nfs/dbraw/zinc/21/37/20/485213720.db2.gz BENYTLZEOAUEMX-IRXDYDNUSA-N 2 1 365.522 -0.223 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247872 485213156 /nfs/dbraw/zinc/21/31/56/485213156.db2.gz BENYTLZEOAUEMX-SJORKVTESA-N 2 1 365.522 -0.223 20 0 FBADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cn(CC[NH3+])nn3)c2)CC1 ZINC000659287081 485213212 /nfs/dbraw/zinc/21/32/12/485213212.db2.gz CSGXAEWODYXARU-UHFFFAOYSA-N 2 1 371.445 -0.194 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659356401 485216368 /nfs/dbraw/zinc/21/63/68/485216368.db2.gz KZPXPVPNSJZUTG-UHFFFAOYSA-N 2 1 354.495 -0.298 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659356401 485216362 /nfs/dbraw/zinc/21/63/62/485216362.db2.gz KZPXPVPNSJZUTG-UHFFFAOYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659430201 485217709 /nfs/dbraw/zinc/21/77/09/485217709.db2.gz DHRPCSABRWXFCW-CYBMUJFWSA-N 2 1 352.439 -0.203 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659430202 485217671 /nfs/dbraw/zinc/21/76/71/485217671.db2.gz DHRPCSABRWXFCW-ZDUSSCGKSA-N 2 1 352.439 -0.203 20 0 FBADMP CC(C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659431680 485218383 /nfs/dbraw/zinc/21/83/83/485218383.db2.gz QDHSBOMEXAXUIS-CYBMUJFWSA-N 2 1 352.439 -0.203 20 0 FBADMP CC(C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659431681 485218071 /nfs/dbraw/zinc/21/80/71/485218071.db2.gz QDHSBOMEXAXUIS-ZDUSSCGKSA-N 2 1 352.439 -0.203 20 0 FBADMP C[C@@H]1C[N@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659431772 485218235 /nfs/dbraw/zinc/21/82/35/485218235.db2.gz YMQXKHNCRZEJMD-TXEJJXNPSA-N 2 1 352.439 -0.061 20 0 FBADMP COCCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000659435909 483676568 /nfs/dbraw/zinc/67/65/68/483676568.db2.gz GEAGQJGLTJRUQO-YJBOKZPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000659448323 485219165 /nfs/dbraw/zinc/21/91/65/485219165.db2.gz BNWYHCXVJMXFOV-UHFFFAOYSA-N 2 1 357.499 -0.146 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000659470296 485220579 /nfs/dbraw/zinc/22/05/79/485220579.db2.gz ACHIPGBVUWTVOQ-GDBMZVCRSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000659470296 485220576 /nfs/dbraw/zinc/22/05/76/485220576.db2.gz ACHIPGBVUWTVOQ-GDBMZVCRSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000659470297 485220426 /nfs/dbraw/zinc/22/04/26/485220426.db2.gz ACHIPGBVUWTVOQ-GOEBONIOSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000659470297 485220418 /nfs/dbraw/zinc/22/04/18/485220418.db2.gz ACHIPGBVUWTVOQ-GOEBONIOSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000659470298 485220614 /nfs/dbraw/zinc/22/06/14/485220614.db2.gz ACHIPGBVUWTVOQ-HOCLYGCPSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000659470298 485220611 /nfs/dbraw/zinc/22/06/11/485220611.db2.gz ACHIPGBVUWTVOQ-HOCLYGCPSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000659470299 485220530 /nfs/dbraw/zinc/22/05/30/485220530.db2.gz ACHIPGBVUWTVOQ-ZBFHGGJFSA-N 2 1 369.510 -0.005 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000659470299 485220529 /nfs/dbraw/zinc/22/05/29/485220529.db2.gz ACHIPGBVUWTVOQ-ZBFHGGJFSA-N 2 1 369.510 -0.005 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCO1 ZINC000659486873 485220749 /nfs/dbraw/zinc/22/07/49/485220749.db2.gz KYXQHACYDUXHMP-GFCCVEGCSA-N 2 1 352.439 -0.059 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCO1 ZINC000659486874 485220733 /nfs/dbraw/zinc/22/07/33/485220733.db2.gz KYXQHACYDUXHMP-LBPRGKRZSA-N 2 1 352.439 -0.059 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659507381 485226108 /nfs/dbraw/zinc/22/61/08/485226108.db2.gz JRGKAVIJWXSQIY-GOSISDBHSA-N 2 1 361.490 -0.042 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659507383 485225029 /nfs/dbraw/zinc/22/50/29/485225029.db2.gz JRGKAVIJWXSQIY-SFHVURJKSA-N 2 1 361.490 -0.042 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659508121 485225984 /nfs/dbraw/zinc/22/59/84/485225984.db2.gz RNASPYAYECNDAA-HZPDHXFCSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC000659509411 485226121 /nfs/dbraw/zinc/22/61/21/485226121.db2.gz ZORXZBGDLGRONO-HUUCEWRRSA-N 2 1 365.478 -0.639 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521399 485226043 /nfs/dbraw/zinc/22/60/43/485226043.db2.gz JLVJXIXBUQNGCV-CRAIPNDOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521400 485225345 /nfs/dbraw/zinc/22/53/45/485225345.db2.gz JLVJXIXBUQNGCV-MAUKXSAKSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521401 485225100 /nfs/dbraw/zinc/22/51/00/485225100.db2.gz JLVJXIXBUQNGCV-QAPCUYQASA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521402 485225723 /nfs/dbraw/zinc/22/57/23/485225723.db2.gz JLVJXIXBUQNGCV-YJBOKZPZSA-N 2 1 352.479 -0.280 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000659521515 485226071 /nfs/dbraw/zinc/22/60/71/485226071.db2.gz QOUMRUWVHMYBIY-INIZCTEOSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000659521515 485226069 /nfs/dbraw/zinc/22/60/69/485226069.db2.gz QOUMRUWVHMYBIY-INIZCTEOSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000659521517 485226099 /nfs/dbraw/zinc/22/60/99/485226099.db2.gz QOUMRUWVHMYBIY-MRXNPFEDSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000659521517 485226096 /nfs/dbraw/zinc/22/60/96/485226096.db2.gz QOUMRUWVHMYBIY-MRXNPFEDSA-N 2 1 350.463 -0.384 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659525706 485225470 /nfs/dbraw/zinc/22/54/70/485225470.db2.gz YXIYURQGWIIMES-KRWDZBQOSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659525708 485225842 /nfs/dbraw/zinc/22/58/42/485225842.db2.gz YXIYURQGWIIMES-QGZVFWFLSA-N 2 1 364.490 -0.136 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225874 /nfs/dbraw/zinc/22/58/74/485225874.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 2 1 363.506 -0.613 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225871 /nfs/dbraw/zinc/22/58/71/485225871.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 2 1 363.506 -0.613 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225869 /nfs/dbraw/zinc/22/58/69/485225869.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 2 1 363.506 -0.613 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225375 /nfs/dbraw/zinc/22/53/75/485225375.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 2 1 363.506 -0.613 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225372 /nfs/dbraw/zinc/22/53/72/485225372.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 2 1 363.506 -0.613 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225368 /nfs/dbraw/zinc/22/53/68/485225368.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 2 1 363.506 -0.613 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659532190 485225170 /nfs/dbraw/zinc/22/51/70/485225170.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659532190 485225166 /nfs/dbraw/zinc/22/51/66/485225166.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000659532190 485225163 /nfs/dbraw/zinc/22/51/63/485225163.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659532192 485225749 /nfs/dbraw/zinc/22/57/49/485225749.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659532192 485225745 /nfs/dbraw/zinc/22/57/45/485225745.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000659532192 485225741 /nfs/dbraw/zinc/22/57/41/485225741.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000659534676 485225263 /nfs/dbraw/zinc/22/52/63/485225263.db2.gz FDIWCZKCHCBELU-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000659534676 485225260 /nfs/dbraw/zinc/22/52/60/485225260.db2.gz FDIWCZKCHCBELU-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1C ZINC000659534676 485225257 /nfs/dbraw/zinc/22/52/57/485225257.db2.gz FDIWCZKCHCBELU-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@H+]1C ZINC000659534676 485225255 /nfs/dbraw/zinc/22/52/55/485225255.db2.gz FDIWCZKCHCBELU-BBWFWOEESA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000659534680 485226162 /nfs/dbraw/zinc/22/61/62/485226162.db2.gz FDIWCZKCHCBELU-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000659534680 485226159 /nfs/dbraw/zinc/22/61/59/485226159.db2.gz FDIWCZKCHCBELU-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1C ZINC000659534680 485226155 /nfs/dbraw/zinc/22/61/55/485226155.db2.gz FDIWCZKCHCBELU-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@H+]1C ZINC000659534680 485226150 /nfs/dbraw/zinc/22/61/50/485226150.db2.gz FDIWCZKCHCBELU-IXDOHACOSA-N 2 1 365.522 -0.224 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659534955 485226536 /nfs/dbraw/zinc/22/65/36/485226536.db2.gz OEUQQEZDXFZGRV-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659534955 485226532 /nfs/dbraw/zinc/22/65/32/485226532.db2.gz OEUQQEZDXFZGRV-KRWDZBQOSA-N 2 1 365.522 -0.223 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659534957 485226929 /nfs/dbraw/zinc/22/69/29/485226929.db2.gz OEUQQEZDXFZGRV-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659534957 485226925 /nfs/dbraw/zinc/22/69/25/485226925.db2.gz OEUQQEZDXFZGRV-QGZVFWFLSA-N 2 1 365.522 -0.223 20 0 FBADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561799 485227276 /nfs/dbraw/zinc/22/72/76/485227276.db2.gz SVQNYEUSGHHXQZ-SDDRHHMPSA-N 2 1 352.439 -0.062 20 0 FBADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561799 485227270 /nfs/dbraw/zinc/22/72/70/485227270.db2.gz SVQNYEUSGHHXQZ-SDDRHHMPSA-N 2 1 352.439 -0.062 20 0 FBADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561800 485226682 /nfs/dbraw/zinc/22/66/82/485226682.db2.gz SVQNYEUSGHHXQZ-UTUOFQBUSA-N 2 1 352.439 -0.062 20 0 FBADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561800 485226678 /nfs/dbraw/zinc/22/66/78/485226678.db2.gz SVQNYEUSGHHXQZ-UTUOFQBUSA-N 2 1 352.439 -0.062 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659608166 484155420 /nfs/dbraw/zinc/15/54/20/484155420.db2.gz ADGXDHMTOTUHJP-CYBMUJFWSA-N 2 1 359.496 -0.901 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659608166 484155413 /nfs/dbraw/zinc/15/54/13/484155413.db2.gz ADGXDHMTOTUHJP-CYBMUJFWSA-N 2 1 359.496 -0.901 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659608167 484156405 /nfs/dbraw/zinc/15/64/05/484156405.db2.gz ADGXDHMTOTUHJP-ZDUSSCGKSA-N 2 1 359.496 -0.901 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659608167 484156400 /nfs/dbraw/zinc/15/64/00/484156400.db2.gz ADGXDHMTOTUHJP-ZDUSSCGKSA-N 2 1 359.496 -0.901 20 0 FBADMP CN1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C[NH3+])C1 ZINC000659609002 485228019 /nfs/dbraw/zinc/22/80/19/485228019.db2.gz HUXJSBDHMKNZOU-ARFHVFGLSA-N 2 1 351.495 -0.086 20 0 FBADMP CN1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@H](C[NH3+])C1 ZINC000659609004 485227976 /nfs/dbraw/zinc/22/79/76/485227976.db2.gz HUXJSBDHMKNZOU-BZUAXINKSA-N 2 1 351.495 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629852 485228807 /nfs/dbraw/zinc/22/88/07/485228807.db2.gz AOJREVDLCROCCK-LLVKDONJSA-N 2 1 352.439 -0.373 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629853 485229887 /nfs/dbraw/zinc/22/98/87/485229887.db2.gz AOJREVDLCROCCK-NSHDSACASA-N 2 1 352.439 -0.373 20 0 FBADMP C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CC(C)(C)O ZINC000659629897 485229634 /nfs/dbraw/zinc/22/96/34/485229634.db2.gz CCHMNCHRXIKPEJ-LLVKDONJSA-N 2 1 352.439 -0.373 20 0 FBADMP C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CC(C)(C)O ZINC000659629898 485229163 /nfs/dbraw/zinc/22/91/63/485229163.db2.gz CCHMNCHRXIKPEJ-NSHDSACASA-N 2 1 352.439 -0.373 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659630001 485229241 /nfs/dbraw/zinc/22/92/41/485229241.db2.gz KMWFIBAEQBGJJF-TXEJJXNPSA-N 2 1 352.439 -0.109 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659630001 485229238 /nfs/dbraw/zinc/22/92/38/485229238.db2.gz KMWFIBAEQBGJJF-TXEJJXNPSA-N 2 1 352.439 -0.109 20 0 FBADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630540 485228784 /nfs/dbraw/zinc/22/87/84/485228784.db2.gz QJMBDUQXJZETQF-UHFFFAOYSA-N 2 1 352.439 -0.107 20 0 FBADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630540 485228777 /nfs/dbraw/zinc/22/87/77/485228777.db2.gz QJMBDUQXJZETQF-UHFFFAOYSA-N 2 1 352.439 -0.107 20 0 FBADMP CN(CCCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)CC[NH+](C)C ZINC000659630947 485229440 /nfs/dbraw/zinc/22/94/40/485229440.db2.gz XHKIGAYKYRWMDL-UHFFFAOYSA-N 2 1 353.471 -0.334 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630947 485229434 /nfs/dbraw/zinc/22/94/34/485229434.db2.gz XHKIGAYKYRWMDL-UHFFFAOYSA-N 2 1 353.471 -0.334 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659632082 485229291 /nfs/dbraw/zinc/22/92/91/485229291.db2.gz LPHQBAKGFXFLFY-UHFFFAOYSA-N 2 1 354.495 -0.154 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659632082 485229288 /nfs/dbraw/zinc/22/92/88/485229288.db2.gz LPHQBAKGFXFLFY-UHFFFAOYSA-N 2 1 354.495 -0.154 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000659632149 485231035 /nfs/dbraw/zinc/23/10/35/485231035.db2.gz QKUFVQWNPDFGJI-AWEZNQCLSA-N 2 1 363.466 -0.438 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000659632150 485230604 /nfs/dbraw/zinc/23/06/04/485230604.db2.gz QKUFVQWNPDFGJI-CQSZACIVSA-N 2 1 363.466 -0.438 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000659632979 485230284 /nfs/dbraw/zinc/23/02/84/485230284.db2.gz NNNIKPKSTZFTNQ-CYBMUJFWSA-N 2 1 350.423 -0.353 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000659632980 485230263 /nfs/dbraw/zinc/23/02/63/485230263.db2.gz NNNIKPKSTZFTNQ-ZDUSSCGKSA-N 2 1 350.423 -0.353 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659671813 485239304 /nfs/dbraw/zinc/23/93/04/485239304.db2.gz IHMIGIAKHORUHC-UHFFFAOYSA-N 2 1 353.467 -0.957 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C[NH3+])C1 ZINC000659672413 485239173 /nfs/dbraw/zinc/23/91/73/485239173.db2.gz VOLHKTHGIYWRFC-HIFRSBDPSA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000659672562 485238854 /nfs/dbraw/zinc/23/88/54/485238854.db2.gz YIGPMYYPLOTGBY-CQSZACIVSA-N 2 1 355.483 -0.855 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000659677093 485239797 /nfs/dbraw/zinc/23/97/97/485239797.db2.gz NCVOBBQUVGSQMG-GBXVCHKXSA-N 2 1 372.469 -0.181 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000659677094 485240082 /nfs/dbraw/zinc/24/00/82/485240082.db2.gz NCVOBBQUVGSQMG-WSGJVKOYSA-N 2 1 372.469 -0.181 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659677558 485240061 /nfs/dbraw/zinc/24/00/61/485240061.db2.gz DXVIJNTWCGWBDI-UHFFFAOYSA-N 2 1 372.429 -0.495 20 0 FBADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677695 485239992 /nfs/dbraw/zinc/23/99/92/485239992.db2.gz RUGWLVGZGRUYRK-GBXVCHKXSA-N 2 1 372.469 -0.262 20 0 FBADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677696 485240464 /nfs/dbraw/zinc/24/04/64/485240464.db2.gz RUGWLVGZGRUYRK-WSGJVKOYSA-N 2 1 372.469 -0.262 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681638 485241618 /nfs/dbraw/zinc/24/16/18/485241618.db2.gz YGWAICVAGWESQZ-NEPJUHHUSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681639 485240902 /nfs/dbraw/zinc/24/09/02/485240902.db2.gz YGWAICVAGWESQZ-NWDGAFQWSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681640 485241840 /nfs/dbraw/zinc/24/18/40/485241840.db2.gz YGWAICVAGWESQZ-RYUDHWBXSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681641 485241572 /nfs/dbraw/zinc/24/15/72/485241572.db2.gz YGWAICVAGWESQZ-VXGBXAGGSA-N 2 1 364.450 -0.506 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682225 485240862 /nfs/dbraw/zinc/24/08/62/485240862.db2.gz HUFOQORZZCCTTO-AWEZNQCLSA-N 2 1 351.495 -0.341 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682225 485240856 /nfs/dbraw/zinc/24/08/56/485240856.db2.gz HUFOQORZZCCTTO-AWEZNQCLSA-N 2 1 351.495 -0.341 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682226 485241200 /nfs/dbraw/zinc/24/12/00/485241200.db2.gz HUFOQORZZCCTTO-CQSZACIVSA-N 2 1 351.495 -0.341 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682226 485241195 /nfs/dbraw/zinc/24/11/95/485241195.db2.gz HUFOQORZZCCTTO-CQSZACIVSA-N 2 1 351.495 -0.341 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659682576 485240923 /nfs/dbraw/zinc/24/09/23/485240923.db2.gz KGGMWFMGSOCUHY-DLBZAZTESA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659682577 485241467 /nfs/dbraw/zinc/24/14/67/485241467.db2.gz KGGMWFMGSOCUHY-IAGOWNOFSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659682578 485241442 /nfs/dbraw/zinc/24/14/42/485241442.db2.gz KGGMWFMGSOCUHY-IRXDYDNUSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659682579 485241912 /nfs/dbraw/zinc/24/19/12/485241912.db2.gz KGGMWFMGSOCUHY-SJORKVTESA-N 2 1 365.522 -0.413 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659682825 485241372 /nfs/dbraw/zinc/24/13/72/485241372.db2.gz OMAXGQGDYFZXEF-GDBMZVCRSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659682825 485241365 /nfs/dbraw/zinc/24/13/65/485241365.db2.gz OMAXGQGDYFZXEF-GDBMZVCRSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659682826 485240989 /nfs/dbraw/zinc/24/09/89/485240989.db2.gz OMAXGQGDYFZXEF-GOEBONIOSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659682826 485240987 /nfs/dbraw/zinc/24/09/87/485240987.db2.gz OMAXGQGDYFZXEF-GOEBONIOSA-N 2 1 353.511 -0.239 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659682978 485240970 /nfs/dbraw/zinc/24/09/70/485240970.db2.gz QOYXGXJDBZKBQO-DLBZAZTESA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659682979 485241237 /nfs/dbraw/zinc/24/12/37/485241237.db2.gz QOYXGXJDBZKBQO-IAGOWNOFSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659682980 485241043 /nfs/dbraw/zinc/24/10/43/485241043.db2.gz QOYXGXJDBZKBQO-IRXDYDNUSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659682981 485240956 /nfs/dbraw/zinc/24/09/56/485240956.db2.gz QOYXGXJDBZKBQO-SJORKVTESA-N 2 1 365.522 -0.413 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683034 485241170 /nfs/dbraw/zinc/24/11/70/485241170.db2.gz RRPHHRYTEGBEAC-INMHGKMJSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683034 485241166 /nfs/dbraw/zinc/24/11/66/485241166.db2.gz RRPHHRYTEGBEAC-INMHGKMJSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683035 485241662 /nfs/dbraw/zinc/24/16/62/485241662.db2.gz RRPHHRYTEGBEAC-VYDXJSESSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683035 485241658 /nfs/dbraw/zinc/24/16/58/485241658.db2.gz RRPHHRYTEGBEAC-VYDXJSESSA-N 2 1 365.522 -0.143 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)O1 ZINC000659683329 485241885 /nfs/dbraw/zinc/24/18/85/485241885.db2.gz RCKBTTRGEAWGIF-PHDAOHEYSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)O1 ZINC000659683329 485241881 /nfs/dbraw/zinc/24/18/81/485241881.db2.gz RCKBTTRGEAWGIF-PHDAOHEYSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)O1 ZINC000659683330 485241053 /nfs/dbraw/zinc/24/10/53/485241053.db2.gz RCKBTTRGEAWGIF-RKSAHCFOSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@@H](C)O1 ZINC000659683331 485241259 /nfs/dbraw/zinc/24/12/59/485241259.db2.gz RCKBTTRGEAWGIF-ZBUWUSMVSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659683332 485241328 /nfs/dbraw/zinc/24/13/28/485241328.db2.gz RDOVFHMEIBQNTG-PHDAOHEYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659683332 485241321 /nfs/dbraw/zinc/24/13/21/485241321.db2.gz RDOVFHMEIBQNTG-PHDAOHEYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659683333 485241784 /nfs/dbraw/zinc/24/17/84/485241784.db2.gz RDOVFHMEIBQNTG-RKSAHCFOSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000659683334 485241833 /nfs/dbraw/zinc/24/18/33/485241833.db2.gz RDOVFHMEIBQNTG-ZBUWUSMVSA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000659683895 485243048 /nfs/dbraw/zinc/24/30/48/485243048.db2.gz BGQQYEMBXGCCOY-IKGGRYGDSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000659683896 485242323 /nfs/dbraw/zinc/24/23/23/485242323.db2.gz BGQQYEMBXGCCOY-IXDOHACOSA-N 2 1 367.538 -0.040 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCN(C)CC1 ZINC000659684322 485242349 /nfs/dbraw/zinc/24/23/49/485242349.db2.gz GPRLVBMNJJZWBX-CSLYMUCUSA-N 2 1 351.495 -0.676 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCN(C)CC1 ZINC000659684323 485242778 /nfs/dbraw/zinc/24/27/78/485242778.db2.gz GPRLVBMNJJZWBX-SWKXRBFHSA-N 2 1 351.495 -0.676 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000659684392 485242608 /nfs/dbraw/zinc/24/26/08/485242608.db2.gz IEXHUYYITKRUJD-CSLYMUCUSA-N 2 1 351.495 -0.757 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000659684393 485242419 /nfs/dbraw/zinc/24/24/19/485242419.db2.gz IEXHUYYITKRUJD-SWKXRBFHSA-N 2 1 351.495 -0.757 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685211 485242534 /nfs/dbraw/zinc/24/25/34/485242534.db2.gz PEZWERBTUYHTTQ-CYBMUJFWSA-N 2 1 364.450 -0.362 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685215 485243002 /nfs/dbraw/zinc/24/30/02/485243002.db2.gz PEZWERBTUYHTTQ-ZDUSSCGKSA-N 2 1 364.450 -0.362 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCN(C)CC1 ZINC000659685240 485242524 /nfs/dbraw/zinc/24/25/24/485242524.db2.gz OZKJNVIVIFCNMD-HNNXBMFYSA-N 2 1 353.511 -0.238 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCN(C)CC1 ZINC000659685241 485242561 /nfs/dbraw/zinc/24/25/61/485242561.db2.gz OZKJNVIVIFCNMD-OAHLLOKOSA-N 2 1 353.511 -0.238 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000659686516 485243062 /nfs/dbraw/zinc/24/30/62/485243062.db2.gz ZXVQSPNTBVIJAA-CVEARBPZSA-N 2 1 355.527 -0.136 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000659686517 485242916 /nfs/dbraw/zinc/24/29/16/485242916.db2.gz ZXVQSPNTBVIJAA-HZPDHXFCSA-N 2 1 355.527 -0.136 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000659689186 485243540 /nfs/dbraw/zinc/24/35/40/485243540.db2.gz VZLQGCUZMPPKCI-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C[NH3+])C1 ZINC000659689452 485244400 /nfs/dbraw/zinc/24/44/00/485244400.db2.gz ASFKLBNHWDUMCL-ZBFHGGJFSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000659695651 485245797 /nfs/dbraw/zinc/24/57/97/485245797.db2.gz ANYZMPLJSVEFGJ-UONOGXRCSA-N 2 1 355.483 -0.820 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659695652 485245891 /nfs/dbraw/zinc/24/58/91/485245891.db2.gz ANYZMPLJSVEFGJ-ZIAGYGMSSA-N 2 1 355.483 -0.820 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659695686 485245482 /nfs/dbraw/zinc/24/54/82/485245482.db2.gz CMESSHOVCLVWPH-CYBMUJFWSA-N 2 1 353.467 -0.922 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659695687 485244873 /nfs/dbraw/zinc/24/48/73/485244873.db2.gz CMESSHOVCLVWPH-ZDUSSCGKSA-N 2 1 353.467 -0.922 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659696076 485245095 /nfs/dbraw/zinc/24/50/95/485245095.db2.gz KNAOYAVEYKYHDA-INIZCTEOSA-N 2 1 354.495 -0.081 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659696078 485245543 /nfs/dbraw/zinc/24/55/43/485245543.db2.gz KNAOYAVEYKYHDA-MRXNPFEDSA-N 2 1 354.495 -0.081 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659696363 485245471 /nfs/dbraw/zinc/24/54/71/485245471.db2.gz NDHPGMONCYREDL-INIZCTEOSA-N 2 1 354.495 -0.081 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659696365 485245076 /nfs/dbraw/zinc/24/50/76/485245076.db2.gz NDHPGMONCYREDL-MRXNPFEDSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000659696405 485245247 /nfs/dbraw/zinc/24/52/47/485245247.db2.gz NLPCAXMRFVXDLG-HNNXBMFYSA-N 2 1 362.478 -0.566 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000659696406 485245582 /nfs/dbraw/zinc/24/55/82/485245582.db2.gz NLPCAXMRFVXDLG-OAHLLOKOSA-N 2 1 362.478 -0.566 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000659696705 485245316 /nfs/dbraw/zinc/24/53/16/485245316.db2.gz PASFUNXSODNLOR-ILXRZTDVSA-N 2 1 367.494 -0.724 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000659696706 485245865 /nfs/dbraw/zinc/24/58/65/485245865.db2.gz PASFUNXSODNLOR-KFWWJZLASA-N 2 1 367.494 -0.724 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659697363 485245193 /nfs/dbraw/zinc/24/51/93/485245193.db2.gz CETCYRUKTLHHGG-HUUCEWRRSA-N 2 1 357.474 -0.582 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659698283 484246699 /nfs/dbraw/zinc/24/66/99/484246699.db2.gz GYQPYETZZAAORM-UHFFFAOYSA-N 2 1 353.511 -0.092 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698655 485245715 /nfs/dbraw/zinc/24/57/15/485245715.db2.gz GYJFWKVPDDUPKH-AWEZNQCLSA-N 2 1 367.494 -0.567 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698656 485245265 /nfs/dbraw/zinc/24/52/65/485245265.db2.gz GYJFWKVPDDUPKH-CQSZACIVSA-N 2 1 367.494 -0.567 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659698804 485244967 /nfs/dbraw/zinc/24/49/67/485244967.db2.gz MVVRRSQGXIGJCO-UHFFFAOYSA-N 2 1 351.495 -0.530 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000659699053 485245678 /nfs/dbraw/zinc/24/56/78/485245678.db2.gz JOUQHGQTXPQLTL-CABCVRRESA-N 2 1 369.510 -0.465 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000659699054 485245120 /nfs/dbraw/zinc/24/51/20/485245120.db2.gz JOUQHGQTXPQLTL-HUUCEWRRSA-N 2 1 369.510 -0.465 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659699590 485246928 /nfs/dbraw/zinc/24/69/28/485246928.db2.gz YSZUEEMZRRQQNT-LLVKDONJSA-N 2 1 350.423 -0.895 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659699591 485246694 /nfs/dbraw/zinc/24/66/94/485246694.db2.gz YSZUEEMZRRQQNT-NSHDSACASA-N 2 1 350.423 -0.895 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699667 485247122 /nfs/dbraw/zinc/24/71/22/485247122.db2.gz RWJZKGXCTFBRNF-CYBMUJFWSA-N 2 1 355.483 -0.759 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699668 485246676 /nfs/dbraw/zinc/24/66/76/485246676.db2.gz RWJZKGXCTFBRNF-ZDUSSCGKSA-N 2 1 355.483 -0.759 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000659699903 485246267 /nfs/dbraw/zinc/24/62/67/485246267.db2.gz XIADSVARGPUFLK-CVEARBPZSA-N 2 1 353.511 -0.284 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659701520 485247130 /nfs/dbraw/zinc/24/71/30/485247130.db2.gz GYZIEYNVPYUYJK-UHFFFAOYSA-N 2 1 355.483 -0.711 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659702055 485246995 /nfs/dbraw/zinc/24/69/95/485246995.db2.gz MYFQHUPRGUVOJA-UHFFFAOYSA-N 2 1 367.494 -0.519 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659702097 485246746 /nfs/dbraw/zinc/24/67/46/485246746.db2.gz OHQQENABDSDQDE-OAHLLOKOSA-N 2 1 369.510 -0.417 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702548 485246418 /nfs/dbraw/zinc/24/64/18/485246418.db2.gz PPSUCGFKHUHIOR-GFCCVEGCSA-N 2 1 350.423 -0.752 20 0 FBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702549 485247034 /nfs/dbraw/zinc/24/70/34/485247034.db2.gz PPSUCGFKHUHIOR-LBPRGKRZSA-N 2 1 350.423 -0.752 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659702966 485246279 /nfs/dbraw/zinc/24/62/79/485246279.db2.gz XJWOODFWLMEFDP-UHFFFAOYSA-N 2 1 365.478 -0.957 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCC1 ZINC000659704149 485246717 /nfs/dbraw/zinc/24/67/17/485246717.db2.gz MKACJIUBLGSQNU-UHFFFAOYSA-N 2 1 350.423 -0.752 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659707136 485248298 /nfs/dbraw/zinc/24/82/98/485248298.db2.gz AQEKEUHWHSHPHX-GFCCVEGCSA-N 2 1 364.450 -0.506 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659707137 485248069 /nfs/dbraw/zinc/24/80/69/485248069.db2.gz AQEKEUHWHSHPHX-LBPRGKRZSA-N 2 1 364.450 -0.506 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000659707838 485248165 /nfs/dbraw/zinc/24/81/65/485248165.db2.gz ZPLVXVWCKHZAOP-CYBMUJFWSA-N 2 1 362.434 -0.610 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000659707839 485247770 /nfs/dbraw/zinc/24/77/70/485247770.db2.gz ZPLVXVWCKHZAOP-ZDUSSCGKSA-N 2 1 362.434 -0.610 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659708844 485248350 /nfs/dbraw/zinc/24/83/50/485248350.db2.gz AEZICBFTTXXTKJ-GOSISDBHSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659708848 485247608 /nfs/dbraw/zinc/24/76/08/485247608.db2.gz AEZICBFTTXXTKJ-SFHVURJKSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709086 485247819 /nfs/dbraw/zinc/24/78/19/485247819.db2.gz DRXKSGOPELSKLK-MSOLQXFVSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709087 485248995 /nfs/dbraw/zinc/24/89/95/485248995.db2.gz DRXKSGOPELSKLK-QZTJIDSGSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709088 485249009 /nfs/dbraw/zinc/24/90/09/485249009.db2.gz DRXKSGOPELSKLK-ROUUACIJSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709089 485249339 /nfs/dbraw/zinc/24/93/39/485249339.db2.gz DRXKSGOPELSKLK-ZWKOTPCHSA-N 2 1 373.501 -0.213 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709143 485249289 /nfs/dbraw/zinc/24/92/89/485249289.db2.gz FLXBWXVCGDJVCK-KSTDHSDQSA-N 2 1 351.495 -0.674 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709144 485249266 /nfs/dbraw/zinc/24/92/66/485249266.db2.gz FLXBWXVCGDJVCK-SYJJWHGVSA-N 2 1 351.495 -0.674 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709145 485249413 /nfs/dbraw/zinc/24/94/13/485249413.db2.gz FPGJBYMOEDLCOV-HNNXBMFYSA-N 2 1 353.511 -0.236 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709146 485249227 /nfs/dbraw/zinc/24/92/27/485249227.db2.gz FPGJBYMOEDLCOV-OAHLLOKOSA-N 2 1 353.511 -0.236 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709171 485248929 /nfs/dbraw/zinc/24/89/29/485248929.db2.gz GGEXPPNOTXSLMJ-IKGGRYGDSA-N 2 1 367.538 -0.038 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709172 485249390 /nfs/dbraw/zinc/24/93/90/485249390.db2.gz GGEXPPNOTXSLMJ-ZACQAIPSSA-N 2 1 367.538 -0.038 20 0 FBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)NC1CC[NH2+]CC1 ZINC000659709286 485249096 /nfs/dbraw/zinc/24/90/96/485249096.db2.gz GSQHMYLNANXEJR-HUUCEWRRSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659709331 485249239 /nfs/dbraw/zinc/24/92/39/485249239.db2.gz HNLBSDJEGQSENL-HZPDHXFCSA-N 2 1 364.490 -0.138 20 0 FBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659710061 485248623 /nfs/dbraw/zinc/24/86/23/485248623.db2.gz PIOSWVYCCFQZQR-RBSFLKMASA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659710062 485249319 /nfs/dbraw/zinc/24/93/19/485249319.db2.gz PIOSWVYCCFQZQR-RRFJBIMHSA-N 2 1 350.463 -0.386 20 0 FBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659710105 485249351 /nfs/dbraw/zinc/24/93/51/485249351.db2.gz MLPXHEVBJWXOHE-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659710890 485248860 /nfs/dbraw/zinc/24/88/60/485248860.db2.gz SIHILCHJFZCLCY-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659710891 485248886 /nfs/dbraw/zinc/24/88/86/485248886.db2.gz SIHILCHJFZCLCY-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659711142 485249084 /nfs/dbraw/zinc/24/90/84/485249084.db2.gz XCIZZAAVEQNFLB-RBSFLKMASA-N 2 1 357.474 -0.726 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659711143 485248778 /nfs/dbraw/zinc/24/87/78/485248778.db2.gz XCIZZAAVEQNFLB-RRFJBIMHSA-N 2 1 357.474 -0.726 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711145 485249374 /nfs/dbraw/zinc/24/93/74/485249374.db2.gz XCYBWYWDJDBIGG-HZPDHXFCSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711146 485249248 /nfs/dbraw/zinc/24/92/48/485249248.db2.gz XCYBWYWDJDBIGG-JKSUJKDBSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711167 485249333 /nfs/dbraw/zinc/24/93/33/485249333.db2.gz YBWXXHIPDPAQGB-KSTDHSDQSA-N 2 1 351.495 -0.756 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711168 485249145 /nfs/dbraw/zinc/24/91/45/485249145.db2.gz YBWXXHIPDPAQGB-SYJJWHGVSA-N 2 1 351.495 -0.756 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000659711169 485248739 /nfs/dbraw/zinc/24/87/39/485248739.db2.gz YCBARJFUJZGDEE-OAGGEKHMSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000659711170 485249187 /nfs/dbraw/zinc/24/91/87/485249187.db2.gz YCBARJFUJZGDEE-PMPSAXMXSA-N 2 1 353.511 -0.428 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711381 485248709 /nfs/dbraw/zinc/24/87/09/485248709.db2.gz XLEPLJUMOVQXBL-INIZCTEOSA-N 2 1 365.522 -0.079 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711382 485249068 /nfs/dbraw/zinc/24/90/68/485249068.db2.gz XLEPLJUMOVQXBL-MRXNPFEDSA-N 2 1 365.522 -0.079 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659711394 485249171 /nfs/dbraw/zinc/24/91/71/485249171.db2.gz YBXLODGUDMGAKR-KRWDZBQOSA-N 2 1 361.490 -0.356 20 0 FBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659711395 485249131 /nfs/dbraw/zinc/24/91/31/485249131.db2.gz YBXLODGUDMGAKR-QGZVFWFLSA-N 2 1 361.490 -0.356 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711495 485248657 /nfs/dbraw/zinc/24/86/57/485248657.db2.gz AMAJSHXCISCHKJ-MSOLQXFVSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711496 485248844 /nfs/dbraw/zinc/24/88/44/485248844.db2.gz AMAJSHXCISCHKJ-QZTJIDSGSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711497 485248805 /nfs/dbraw/zinc/24/88/05/485248805.db2.gz AMAJSHXCISCHKJ-ROUUACIJSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711498 485249358 /nfs/dbraw/zinc/24/93/58/485249358.db2.gz AMAJSHXCISCHKJ-ZWKOTPCHSA-N 2 1 373.501 -0.213 20 0 FBADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659711653 485249432 /nfs/dbraw/zinc/24/94/32/485249432.db2.gz CBBXQWSGAOSYRD-ARFHVFGLSA-N 2 1 364.490 -0.138 20 0 FBADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659711654 485250180 /nfs/dbraw/zinc/25/01/80/485250180.db2.gz CBBXQWSGAOSYRD-BZUAXINKSA-N 2 1 364.490 -0.138 20 0 FBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659711911 485249982 /nfs/dbraw/zinc/24/99/82/485249982.db2.gz FHFNJBVRJUTSOE-HUUCEWRRSA-N 2 1 350.463 -0.386 20 0 FBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659712104 485250469 /nfs/dbraw/zinc/25/04/69/485250469.db2.gz HVVSCPXJLCIYIW-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659712374 485250460 /nfs/dbraw/zinc/25/04/60/485250460.db2.gz IWRNDRJYNYHZIS-RBSFLKMASA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659712375 485250101 /nfs/dbraw/zinc/25/01/01/485250101.db2.gz IWRNDRJYNYHZIS-RRFJBIMHSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659712644 485249758 /nfs/dbraw/zinc/24/97/58/485249758.db2.gz ALQYOMIKOOJFFU-ARFHVFGLSA-N 2 1 364.490 -0.138 20 0 FBADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659712645 485250333 /nfs/dbraw/zinc/25/03/33/485250333.db2.gz ALQYOMIKOOJFFU-BZUAXINKSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659713489 485249937 /nfs/dbraw/zinc/24/99/37/485249937.db2.gz QITCHOWJHCNWJI-GOSISDBHSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659713490 485250202 /nfs/dbraw/zinc/25/02/02/485250202.db2.gz QITCHOWJHCNWJI-SFHVURJKSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659713654 485249785 /nfs/dbraw/zinc/24/97/85/485249785.db2.gz GYTXJFYTFXOUMN-KRWDZBQOSA-N 2 1 359.474 -0.746 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659713655 485250442 /nfs/dbraw/zinc/25/04/42/485250442.db2.gz GYTXJFYTFXOUMN-QGZVFWFLSA-N 2 1 359.474 -0.746 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659714742 485250075 /nfs/dbraw/zinc/25/00/75/485250075.db2.gz VAOFLRZOHWDXFK-KRWDZBQOSA-N 2 1 361.490 -0.356 20 0 FBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659714743 485250030 /nfs/dbraw/zinc/25/00/30/485250030.db2.gz VAOFLRZOHWDXFK-QGZVFWFLSA-N 2 1 361.490 -0.356 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715128 485250431 /nfs/dbraw/zinc/25/04/31/485250431.db2.gz OGPVNJVMWMBBSQ-MSOLQXFVSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715130 485250493 /nfs/dbraw/zinc/25/04/93/485250493.db2.gz OGPVNJVMWMBBSQ-QZTJIDSGSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715132 485250391 /nfs/dbraw/zinc/25/03/91/485250391.db2.gz OGPVNJVMWMBBSQ-ROUUACIJSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715134 485250349 /nfs/dbraw/zinc/25/03/49/485250349.db2.gz OGPVNJVMWMBBSQ-ZWKOTPCHSA-N 2 1 373.501 -0.228 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659715631 485249704 /nfs/dbraw/zinc/24/97/04/485249704.db2.gz XQFUBATXAUEDFA-DOTOQJQBSA-N 2 1 361.490 -0.370 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659715633 485250361 /nfs/dbraw/zinc/25/03/61/485250361.db2.gz XQFUBATXAUEDFA-NVXWUHKLSA-N 2 1 361.490 -0.370 20 0 FBADMP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000659715644 485249821 /nfs/dbraw/zinc/24/98/21/485249821.db2.gz QKCJGUVGTAJMIR-RBSFLKMASA-N 2 1 350.463 -0.401 20 0 FBADMP [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000659715645 485250171 /nfs/dbraw/zinc/25/01/71/485250171.db2.gz QKCJGUVGTAJMIR-RRFJBIMHSA-N 2 1 350.463 -0.401 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659715673 485249992 /nfs/dbraw/zinc/24/99/92/485249992.db2.gz RDUOIHHFMQXNHS-DLBZAZTESA-N 2 1 359.474 -0.603 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659715674 485250417 /nfs/dbraw/zinc/25/04/17/485250417.db2.gz RDUOIHHFMQXNHS-IRXDYDNUSA-N 2 1 359.474 -0.603 20 0 FBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659715694 485250156 /nfs/dbraw/zinc/25/01/56/485250156.db2.gz XQFUBATXAUEDFA-RDJZCZTQSA-N 2 1 361.490 -0.370 20 0 FBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659715695 485250216 /nfs/dbraw/zinc/25/02/16/485250216.db2.gz XQFUBATXAUEDFA-WBVHZDCISA-N 2 1 361.490 -0.370 20 0 FBADMP O=C(CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000659716343 485251343 /nfs/dbraw/zinc/25/13/43/485251343.db2.gz ZMJCGNAIQVVHFT-AWEZNQCLSA-N 2 1 365.478 -0.942 20 0 FBADMP O=C(CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000659716344 485251658 /nfs/dbraw/zinc/25/16/58/485251658.db2.gz ZMJCGNAIQVVHFT-CQSZACIVSA-N 2 1 365.478 -0.942 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659717138 485251443 /nfs/dbraw/zinc/25/14/43/485251443.db2.gz FGAULNAHWUDYAA-DOTOQJQBSA-N 2 1 361.490 -0.228 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659717140 485250858 /nfs/dbraw/zinc/25/08/58/485250858.db2.gz FGAULNAHWUDYAA-NVXWUHKLSA-N 2 1 361.490 -0.228 20 0 FBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659717142 485251772 /nfs/dbraw/zinc/25/17/72/485251772.db2.gz FGAULNAHWUDYAA-RDJZCZTQSA-N 2 1 361.490 -0.228 20 0 FBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659717144 485251411 /nfs/dbraw/zinc/25/14/11/485251411.db2.gz FGAULNAHWUDYAA-WBVHZDCISA-N 2 1 361.490 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659717722 485251253 /nfs/dbraw/zinc/25/12/53/485251253.db2.gz JUBOSYOHBABTJO-MSOLQXFVSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659717723 485250843 /nfs/dbraw/zinc/25/08/43/485250843.db2.gz JUBOSYOHBABTJO-QZTJIDSGSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659717724 485251725 /nfs/dbraw/zinc/25/17/25/485251725.db2.gz JUBOSYOHBABTJO-ROUUACIJSA-N 2 1 373.501 -0.228 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659717725 485250979 /nfs/dbraw/zinc/25/09/79/485250979.db2.gz JUBOSYOHBABTJO-ZWKOTPCHSA-N 2 1 373.501 -0.228 20 0 FBADMP [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000659717726 485250892 /nfs/dbraw/zinc/25/08/92/485250892.db2.gz JVLANYIGGOBTBU-RBSFLKMASA-N 2 1 350.463 -0.401 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000659717727 485250773 /nfs/dbraw/zinc/25/07/73/485250773.db2.gz JVLANYIGGOBTBU-RRFJBIMHSA-N 2 1 350.463 -0.401 20 0 FBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717980 485251761 /nfs/dbraw/zinc/25/17/61/485251761.db2.gz KTVAZPGXTUUUPM-RBSFLKMASA-N 2 1 352.479 -0.155 20 0 FBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717981 485251764 /nfs/dbraw/zinc/25/17/64/485251764.db2.gz KTVAZPGXTUUUPM-RRFJBIMHSA-N 2 1 352.479 -0.155 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCN1CCO ZINC000659720747 485252161 /nfs/dbraw/zinc/25/21/61/485252161.db2.gz UVDQMUNUWXNKMV-UHFFFAOYSA-N 2 1 352.479 -0.402 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN(C2CCC2)CC1 ZINC000659720770 485252183 /nfs/dbraw/zinc/25/21/83/485252183.db2.gz WGMAXSWLJXVXJN-INIZCTEOSA-N 2 1 364.490 -0.136 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN(C2CCC2)CC1 ZINC000659720772 485252729 /nfs/dbraw/zinc/25/27/29/485252729.db2.gz WGMAXSWLJXVXJN-MRXNPFEDSA-N 2 1 364.490 -0.136 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1N1CCOCC1 ZINC000659720814 485252252 /nfs/dbraw/zinc/25/22/52/485252252.db2.gz YPLFZPLAOIIBRO-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1N1CCOCC1 ZINC000659720815 485252333 /nfs/dbraw/zinc/25/23/33/485252333.db2.gz YPLFZPLAOIIBRO-NVXWUHKLSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1N1CCOCC1 ZINC000659720816 485252985 /nfs/dbraw/zinc/25/29/85/485252985.db2.gz YPLFZPLAOIIBRO-RDJZCZTQSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1N1CCOCC1 ZINC000659720818 485252302 /nfs/dbraw/zinc/25/23/02/485252302.db2.gz YPLFZPLAOIIBRO-WBVHZDCISA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659721692 485252958 /nfs/dbraw/zinc/25/29/58/485252958.db2.gz KGPRDIPAKADSQG-CAOSSQGBSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659721693 485252671 /nfs/dbraw/zinc/25/26/71/485252671.db2.gz KGPRDIPAKADSQG-KLHDSHLOSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659721694 485252928 /nfs/dbraw/zinc/25/29/28/485252928.db2.gz KGPRDIPAKADSQG-QKPAOTATSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659721695 485251987 /nfs/dbraw/zinc/25/19/87/485251987.db2.gz KGPRDIPAKADSQG-ZJIFWQFVSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659722189 485252087 /nfs/dbraw/zinc/25/20/87/485252087.db2.gz KKXDDSIURWFJPX-CAOSSQGBSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659722193 485252120 /nfs/dbraw/zinc/25/21/20/485252120.db2.gz KKXDDSIURWFJPX-KLHDSHLOSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659722195 485253016 /nfs/dbraw/zinc/25/30/16/485253016.db2.gz KKXDDSIURWFJPX-QKPAOTATSA-N 2 1 364.490 -0.140 20 0 FBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659722198 485253000 /nfs/dbraw/zinc/25/30/00/485253000.db2.gz KKXDDSIURWFJPX-ZJIFWQFVSA-N 2 1 364.490 -0.140 20 0 FBADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659722562 485252322 /nfs/dbraw/zinc/25/23/22/485252322.db2.gz LVWKMALURMPMHJ-HZPDHXFCSA-N 2 1 362.474 -0.218 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCC1 ZINC000659722565 485252215 /nfs/dbraw/zinc/25/22/15/485252215.db2.gz HGVSQPMUSZIZEQ-ZIAGYGMSSA-N 2 1 350.463 -0.256 20 0 FBADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659723249 485253772 /nfs/dbraw/zinc/25/37/72/485253772.db2.gz ITFIUSISXCKVDF-UHFFFAOYSA-N 2 1 362.421 -0.296 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659725234 485253943 /nfs/dbraw/zinc/25/39/43/485253943.db2.gz UVNLZSQGICVUHM-CAOSSQGBSA-N 2 1 364.490 -0.010 20 0 FBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659725235 485253980 /nfs/dbraw/zinc/25/39/80/485253980.db2.gz UVNLZSQGICVUHM-KLHDSHLOSA-N 2 1 364.490 -0.010 20 0 FBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659725236 485253622 /nfs/dbraw/zinc/25/36/22/485253622.db2.gz UVNLZSQGICVUHM-QKPAOTATSA-N 2 1 364.490 -0.010 20 0 FBADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659725237 485253845 /nfs/dbraw/zinc/25/38/45/485253845.db2.gz UVNLZSQGICVUHM-ZJIFWQFVSA-N 2 1 364.490 -0.010 20 0 FBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659725616 485254101 /nfs/dbraw/zinc/25/41/01/485254101.db2.gz YMLROWYCIYZZQM-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659726156 485254918 /nfs/dbraw/zinc/25/49/18/485254918.db2.gz ABUGKWMTXPZYIO-UHFFFAOYSA-N 2 1 352.439 -0.649 20 0 FBADMP [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659726321 485254628 /nfs/dbraw/zinc/25/46/28/485254628.db2.gz CEPXGVMAYZAPNN-HUUCEWRRSA-N 2 1 364.490 -0.009 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000659727467 485254842 /nfs/dbraw/zinc/25/48/42/485254842.db2.gz PWSUIVDLGUJCBL-CHWSQXEVSA-N 2 1 362.434 -0.610 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000659727469 485254689 /nfs/dbraw/zinc/25/46/89/485254689.db2.gz PWSUIVDLGUJCBL-OLZOCXBDSA-N 2 1 362.434 -0.610 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000659727471 485254574 /nfs/dbraw/zinc/25/45/74/485254574.db2.gz PWSUIVDLGUJCBL-QWHCGFSZSA-N 2 1 362.434 -0.610 20 0 FBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000659727473 485254617 /nfs/dbraw/zinc/25/46/17/485254617.db2.gz PWSUIVDLGUJCBL-STQMWFEESA-N 2 1 362.434 -0.610 20 0 FBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659730466 485256172 /nfs/dbraw/zinc/25/61/72/485256172.db2.gz XCLDBTNHTADGCH-BYNSBNAKSA-N 2 1 352.479 -0.012 20 0 FBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659730467 485256118 /nfs/dbraw/zinc/25/61/18/485256118.db2.gz XCLDBTNHTADGCH-GBJTYRQASA-N 2 1 352.479 -0.012 20 0 FBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659730468 485256035 /nfs/dbraw/zinc/25/60/35/485256035.db2.gz XCLDBTNHTADGCH-KBUPBQIOSA-N 2 1 352.479 -0.012 20 0 FBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659730470 485256084 /nfs/dbraw/zinc/25/60/84/485256084.db2.gz XCLDBTNHTADGCH-LXTVHRRPSA-N 2 1 352.479 -0.012 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730559 485255557 /nfs/dbraw/zinc/25/55/57/485255557.db2.gz YJINRGQKFVLSKR-MSOLQXFVSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730560 485255783 /nfs/dbraw/zinc/25/57/83/485255783.db2.gz YJINRGQKFVLSKR-QZTJIDSGSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730681 485256060 /nfs/dbraw/zinc/25/60/60/485256060.db2.gz YJINRGQKFVLSKR-ROUUACIJSA-N 2 1 374.485 -0.134 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730682 485255738 /nfs/dbraw/zinc/25/57/38/485255738.db2.gz YJINRGQKFVLSKR-ZWKOTPCHSA-N 2 1 374.485 -0.134 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)(N2CCCCC2)CC1 ZINC000659731493 485255980 /nfs/dbraw/zinc/25/59/80/485255980.db2.gz KGSHIMARZMSMEZ-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733595 485255712 /nfs/dbraw/zinc/25/57/12/485255712.db2.gz URPRGZMMCGPYKS-HNNXBMFYSA-N 2 1 351.495 -0.388 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733597 485255852 /nfs/dbraw/zinc/25/58/52/485255852.db2.gz URPRGZMMCGPYKS-OAHLLOKOSA-N 2 1 351.495 -0.388 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733625 485255675 /nfs/dbraw/zinc/25/56/75/485255675.db2.gz VJBGTWCFLOKLIM-AWEZNQCLSA-N 2 1 365.478 -0.861 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733627 485255523 /nfs/dbraw/zinc/25/55/23/485255523.db2.gz VJBGTWCFLOKLIM-CQSZACIVSA-N 2 1 365.478 -0.861 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733990 484550496 /nfs/dbraw/zinc/55/04/96/484550496.db2.gz HSYAFWRPWVUPRC-UHFFFAOYSA-N 2 1 353.511 -0.142 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733990 484550492 /nfs/dbraw/zinc/55/04/92/484550492.db2.gz HSYAFWRPWVUPRC-UHFFFAOYSA-N 2 1 353.511 -0.142 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738153 485256967 /nfs/dbraw/zinc/25/69/67/485256967.db2.gz ARJIHVPDHHITRT-NWPKHEMWSA-N 2 1 362.474 -0.304 20 0 FBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CCC[NH2+]CC1 ZINC000659738240 485257352 /nfs/dbraw/zinc/25/73/52/485257352.db2.gz CAXIDYDWXIEVMS-HUUCEWRRSA-N 2 1 350.463 -0.432 20 0 FBADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659738244 485257441 /nfs/dbraw/zinc/25/74/41/485257441.db2.gz CEQPFMDITHALGQ-RBSFLKMASA-N 2 1 350.463 -0.447 20 0 FBADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659738245 485257029 /nfs/dbraw/zinc/25/70/29/485257029.db2.gz CEQPFMDITHALGQ-RRFJBIMHSA-N 2 1 350.463 -0.447 20 0 FBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738302 485257456 /nfs/dbraw/zinc/25/74/56/485257456.db2.gz DMKHATAJRUHCKW-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659738459 485257133 /nfs/dbraw/zinc/25/71/33/485257133.db2.gz DVHSQBNODQPCFM-HZPDHXFCSA-N 2 1 364.490 -0.057 20 0 FBADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738480 485257172 /nfs/dbraw/zinc/25/71/72/485257172.db2.gz FDAVFPDRBWYUJZ-NWPKHEMWSA-N 2 1 362.474 -0.386 20 0 FBADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659738638 485257162 /nfs/dbraw/zinc/25/71/62/485257162.db2.gz HIJWQJAOBJSYNI-ARFHVFGLSA-N 2 1 364.490 -0.186 20 0 FBADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659738639 485257074 /nfs/dbraw/zinc/25/70/74/485257074.db2.gz HIJWQJAOBJSYNI-BZUAXINKSA-N 2 1 364.490 -0.186 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@@H]1[NH3+] ZINC000659738646 485256789 /nfs/dbraw/zinc/25/67/89/485256789.db2.gz HKFIAKWPBXZZAM-CAOSSQGBSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@H]1[NH3+] ZINC000659738647 485256708 /nfs/dbraw/zinc/25/67/08/485256708.db2.gz HKFIAKWPBXZZAM-KLHDSHLOSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@@H]1[NH3+] ZINC000659738648 485257148 /nfs/dbraw/zinc/25/71/48/485257148.db2.gz HKFIAKWPBXZZAM-QKPAOTATSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@H]1[NH3+] ZINC000659738649 485256644 /nfs/dbraw/zinc/25/66/44/485256644.db2.gz HKFIAKWPBXZZAM-ZJIFWQFVSA-N 2 1 364.490 -0.058 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738652 485256903 /nfs/dbraw/zinc/25/69/03/485256903.db2.gz HUVMNBFACKODKU-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738652 485256899 /nfs/dbraw/zinc/25/68/99/485256899.db2.gz HUVMNBFACKODKU-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738653 485256729 /nfs/dbraw/zinc/25/67/29/485256729.db2.gz HUVMNBFACKODKU-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738653 485256726 /nfs/dbraw/zinc/25/67/26/485256726.db2.gz HUVMNBFACKODKU-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738654 485257509 /nfs/dbraw/zinc/25/75/09/485257509.db2.gz HUVMNBFACKODKU-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738654 485257505 /nfs/dbraw/zinc/25/75/05/485257505.db2.gz HUVMNBFACKODKU-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738655 485257330 /nfs/dbraw/zinc/25/73/30/485257330.db2.gz HUVMNBFACKODKU-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000659738655 485257324 /nfs/dbraw/zinc/25/73/24/485257324.db2.gz HUVMNBFACKODKU-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC[NH2+]CC1 ZINC000659738673 485258348 /nfs/dbraw/zinc/25/83/48/485258348.db2.gz IGHLWGCUVCOHED-HZPDHXFCSA-N 2 1 364.490 -0.044 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@H](C)[NH2+]1 ZINC000659738707 485258128 /nfs/dbraw/zinc/25/81/28/485258128.db2.gz IQGHAEDLFQUIKJ-CAOSSQGBSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@@H](C)[NH2+]1 ZINC000659738708 485258224 /nfs/dbraw/zinc/25/82/24/485258224.db2.gz IQGHAEDLFQUIKJ-KLHDSHLOSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@H](C)[NH2+]1 ZINC000659738709 485258540 /nfs/dbraw/zinc/25/85/40/485258540.db2.gz IQGHAEDLFQUIKJ-QKPAOTATSA-N 2 1 364.490 -0.045 20 0 FBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738864 485258263 /nfs/dbraw/zinc/25/82/63/485258263.db2.gz JHCNBFWFTYMTEV-RBSFLKMASA-N 2 1 350.463 -0.304 20 0 FBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738880 485258318 /nfs/dbraw/zinc/25/83/18/485258318.db2.gz JWYIFLMFVBGTGL-CAOSSQGBSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738881 485258653 /nfs/dbraw/zinc/25/86/53/485258653.db2.gz JWYIFLMFVBGTGL-KLHDSHLOSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738882 485258325 /nfs/dbraw/zinc/25/83/25/485258325.db2.gz JWYIFLMFVBGTGL-QKPAOTATSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738883 485258630 /nfs/dbraw/zinc/25/86/30/485258630.db2.gz JWYIFLMFVBGTGL-ZJIFWQFVSA-N 2 1 364.490 -0.058 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738884 485257874 /nfs/dbraw/zinc/25/78/74/485257874.db2.gz JXJGFMGIYDADGA-ZIAGYGMSSA-N 2 1 352.479 -0.058 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738892 485258203 /nfs/dbraw/zinc/25/82/03/485258203.db2.gz KBLSJHKKTICFNL-CABCVRRESA-N 2 1 367.494 -0.567 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738893 485258494 /nfs/dbraw/zinc/25/84/94/485258494.db2.gz KBLSJHKKTICFNL-GJZGRUSLSA-N 2 1 367.494 -0.567 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738894 485258566 /nfs/dbraw/zinc/25/85/66/485258566.db2.gz KBLSJHKKTICFNL-HUUCEWRRSA-N 2 1 367.494 -0.567 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738895 485257994 /nfs/dbraw/zinc/25/79/94/485257994.db2.gz KBLSJHKKTICFNL-LSDHHAIUSA-N 2 1 367.494 -0.567 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@H]1F ZINC000659738918 485258289 /nfs/dbraw/zinc/25/82/89/485258289.db2.gz KOIRCIDXOOKIBK-KBUPBQIOSA-N 2 1 368.453 -0.356 20 0 FBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738928 485257922 /nfs/dbraw/zinc/25/79/22/485257922.db2.gz KXSGEUYBWIJISO-ARFHVFGLSA-N 2 1 364.490 -0.044 20 0 FBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659738929 485257907 /nfs/dbraw/zinc/25/79/07/485257907.db2.gz KXSGEUYBWIJISO-BZUAXINKSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659739032 485258519 /nfs/dbraw/zinc/25/85/19/485258519.db2.gz LGBBOIXVJMBKJE-QKPAOTATSA-N 2 1 362.474 -0.576 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739089 485257914 /nfs/dbraw/zinc/25/79/14/485257914.db2.gz MZWIJJGJKGBKJL-RBSFLKMASA-N 2 1 350.463 -0.434 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739090 485258067 /nfs/dbraw/zinc/25/80/67/485258067.db2.gz MZWIJJGJKGBKJL-RRFJBIMHSA-N 2 1 350.463 -0.434 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739192 485258120 /nfs/dbraw/zinc/25/81/20/485258120.db2.gz GGIRVKUURSMTFS-UHFFFAOYSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739268 485258311 /nfs/dbraw/zinc/25/83/11/485258311.db2.gz PHSCBEQOTIWLKX-IIDMSEBBSA-N 2 1 364.490 -0.057 20 0 FBADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739269 485258646 /nfs/dbraw/zinc/25/86/46/485258646.db2.gz PHSCBEQOTIWLKX-RKVPGOIHSA-N 2 1 364.490 -0.057 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@H]1[NH3+] ZINC000659739358 485257864 /nfs/dbraw/zinc/25/78/64/485257864.db2.gz RHMXUGIPWFKDTB-KBUPBQIOSA-N 2 1 350.463 -0.448 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C)C[NH2+]1 ZINC000659739481 485258438 /nfs/dbraw/zinc/25/84/38/485258438.db2.gz VNIWSOCVBSKABJ-CAOSSQGBSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@H](C)C[NH2+]1 ZINC000659739482 485258275 /nfs/dbraw/zinc/25/82/75/485258275.db2.gz VNIWSOCVBSKABJ-KLHDSHLOSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C)C[NH2+]1 ZINC000659739483 485258007 /nfs/dbraw/zinc/25/80/07/485258007.db2.gz VNIWSOCVBSKABJ-QKPAOTATSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659739484 485258050 /nfs/dbraw/zinc/25/80/50/485258050.db2.gz VNIWSOCVBSKABJ-ZJIFWQFVSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739657 485258028 /nfs/dbraw/zinc/25/80/28/485258028.db2.gz YBBLAJKQQXMZTR-CAOSSQGBSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739660 485258023 /nfs/dbraw/zinc/25/80/23/485258023.db2.gz YBBLAJKQQXMZTR-KLHDSHLOSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739664 485257838 /nfs/dbraw/zinc/25/78/38/485257838.db2.gz YBBLAJKQQXMZTR-QKPAOTATSA-N 2 1 364.490 -0.058 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739669 485258458 /nfs/dbraw/zinc/25/84/58/485258458.db2.gz YBBLAJKQQXMZTR-ZJIFWQFVSA-N 2 1 364.490 -0.058 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1CCOC ZINC000659739671 485258183 /nfs/dbraw/zinc/25/81/83/485258183.db2.gz BWWLSVSSZGOYGV-CSLYMUCUSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1CCOC ZINC000659739671 485258179 /nfs/dbraw/zinc/25/81/79/485258179.db2.gz BWWLSVSSZGOYGV-CSLYMUCUSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1CCOC ZINC000659739672 485258095 /nfs/dbraw/zinc/25/80/95/485258095.db2.gz BWWLSVSSZGOYGV-SWKXRBFHSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1CCOC ZINC000659739672 485258093 /nfs/dbraw/zinc/25/80/93/485258093.db2.gz BWWLSVSSZGOYGV-SWKXRBFHSA-N 2 1 352.479 -0.186 20 0 FBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659739677 485258166 /nfs/dbraw/zinc/25/81/66/485258166.db2.gz YBDHBGKNSIWEME-RRFJBIMHSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659739755 485258507 /nfs/dbraw/zinc/25/85/07/485258507.db2.gz ZPBNDQNDYABWSM-HUUCEWRRSA-N 2 1 350.463 -0.304 20 0 FBADMP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659740061 485258689 /nfs/dbraw/zinc/25/86/89/485258689.db2.gz JVOMPADNMRFFKH-NLGTXKQRSA-N 2 1 363.506 -0.519 20 0 FBADMP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659740061 485258684 /nfs/dbraw/zinc/25/86/84/485258684.db2.gz JVOMPADNMRFFKH-NLGTXKQRSA-N 3 1 363.506 -0.519 20 0 FBADMP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659740062 485258613 /nfs/dbraw/zinc/25/86/13/485258613.db2.gz JVOMPADNMRFFKH-RCDNUKIMSA-N 2 1 363.506 -0.519 20 0 FBADMP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659740062 485258610 /nfs/dbraw/zinc/25/86/10/485258610.db2.gz JVOMPADNMRFFKH-RCDNUKIMSA-N 3 1 363.506 -0.519 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740540 485259323 /nfs/dbraw/zinc/25/93/23/485259323.db2.gz CUGJIILTOQPVLH-VNSJNIRKSA-N 2 1 350.463 -0.434 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740541 485259127 /nfs/dbraw/zinc/25/91/27/485259127.db2.gz CUGJIILTOQPVLH-WRSVWVKZSA-N 2 1 350.463 -0.434 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740774 485259696 /nfs/dbraw/zinc/25/96/96/485259696.db2.gz PABJXOSYILSMIG-UHFFFAOYSA-N 2 1 351.495 -0.661 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740774 485259691 /nfs/dbraw/zinc/25/96/91/485259691.db2.gz PABJXOSYILSMIG-UHFFFAOYSA-N 2 1 351.495 -0.661 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000659740982 485258967 /nfs/dbraw/zinc/25/89/67/485258967.db2.gz IFKHMLYTPVIAAH-MRXNPFEDSA-N 2 1 355.527 -0.040 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000659740982 485258964 /nfs/dbraw/zinc/25/89/64/485258964.db2.gz IFKHMLYTPVIAAH-MRXNPFEDSA-N 2 1 355.527 -0.040 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741189 485258924 /nfs/dbraw/zinc/25/89/24/485258924.db2.gz HFIVJWUUBAOZGQ-KOHRHEQBSA-N 2 1 363.506 -0.517 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741192 485259409 /nfs/dbraw/zinc/25/94/09/485259409.db2.gz HFIVJWUUBAOZGQ-WUJZJPHMSA-N 2 1 363.506 -0.517 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659741500 485259676 /nfs/dbraw/zinc/25/96/76/485259676.db2.gz UKCDSRNKMRCVLF-DOWLLFGTSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659741500 485259672 /nfs/dbraw/zinc/25/96/72/485259672.db2.gz UKCDSRNKMRCVLF-DOWLLFGTSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659741502 485259536 /nfs/dbraw/zinc/25/95/36/485259536.db2.gz UKCDSRNKMRCVLF-KGTZEYCTSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659741502 485259531 /nfs/dbraw/zinc/25/95/31/485259531.db2.gz UKCDSRNKMRCVLF-KGTZEYCTSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000659741504 485258997 /nfs/dbraw/zinc/25/89/97/485258997.db2.gz UKCDSRNKMRCVLF-QULKZQGFSA-N 2 1 364.490 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000659741506 485259281 /nfs/dbraw/zinc/25/92/81/485259281.db2.gz UKCDSRNKMRCVLF-SVZJZCNZSA-N 2 1 364.490 -0.045 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659744476 485260224 /nfs/dbraw/zinc/26/02/24/485260224.db2.gz LMBMPXKBJUVYGQ-HZPDHXFCSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659744478 485260112 /nfs/dbraw/zinc/26/01/12/485260112.db2.gz LMBMPXKBJUVYGQ-JKSUJKDBSA-N 2 1 353.511 -0.286 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659745790 485260637 /nfs/dbraw/zinc/26/06/37/485260637.db2.gz DXCCFFBBKOMSLI-GOSISDBHSA-N 2 1 373.501 -0.132 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659745791 485260413 /nfs/dbraw/zinc/26/04/13/485260413.db2.gz DXCCFFBBKOMSLI-SFHVURJKSA-N 2 1 373.501 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H]1[NH3+] ZINC000659745814 485260051 /nfs/dbraw/zinc/26/00/51/485260051.db2.gz FZBUVCUQIARULR-BPQIPLTHSA-N 2 1 373.501 -0.276 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H]1[NH3+] ZINC000659745815 485259867 /nfs/dbraw/zinc/25/98/67/485259867.db2.gz FZBUVCUQIARULR-KBAYOESNSA-N 2 1 373.501 -0.276 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659746302 484614905 /nfs/dbraw/zinc/61/49/05/484614905.db2.gz KAQITQZQCUPHRN-CQSZACIVSA-N 2 1 355.483 -0.902 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746335 485262181 /nfs/dbraw/zinc/26/21/81/485262181.db2.gz KHGBXKWZZCGOSD-DOTOQJQBSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746336 485261227 /nfs/dbraw/zinc/26/12/27/485261227.db2.gz KHGBXKWZZCGOSD-NVXWUHKLSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746337 485261516 /nfs/dbraw/zinc/26/15/16/485261516.db2.gz KHGBXKWZZCGOSD-RDJZCZTQSA-N 2 1 361.490 -0.276 20 0 FBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746338 485262101 /nfs/dbraw/zinc/26/21/01/485262101.db2.gz KHGBXKWZZCGOSD-WBVHZDCISA-N 2 1 361.490 -0.276 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659746354 485261252 /nfs/dbraw/zinc/26/12/52/485261252.db2.gz KZDJRUYMLXOQTH-GOSISDBHSA-N 2 1 373.501 -0.259 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659746355 485261759 /nfs/dbraw/zinc/26/17/59/485261759.db2.gz KZDJRUYMLXOQTH-SFHVURJKSA-N 2 1 373.501 -0.259 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000659746456 485261127 /nfs/dbraw/zinc/26/11/27/485261127.db2.gz LHYKYNBSAUBLBL-CABCVRRESA-N 2 1 367.494 -0.759 20 0 FBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000659746457 485261284 /nfs/dbraw/zinc/26/12/84/485261284.db2.gz LHYKYNBSAUBLBL-HUUCEWRRSA-N 2 1 367.494 -0.759 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659746548 485261082 /nfs/dbraw/zinc/26/10/82/485261082.db2.gz NXHWAPBFMAABBA-MSOLQXFVSA-N 2 1 373.501 -0.132 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659746549 485262371 /nfs/dbraw/zinc/26/23/71/485262371.db2.gz NXHWAPBFMAABBA-QZTJIDSGSA-N 2 1 373.501 -0.132 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746894 485260921 /nfs/dbraw/zinc/26/09/21/485260921.db2.gz SMBZZPRRKCVBBZ-KRWDZBQOSA-N 2 1 361.490 -0.274 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659746895 485261836 /nfs/dbraw/zinc/26/18/36/485261836.db2.gz SMBZZPRRKCVBBZ-QGZVFWFLSA-N 2 1 361.490 -0.274 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659746953 485261142 /nfs/dbraw/zinc/26/11/42/485261142.db2.gz UFNDKSOZUKGZAE-DLBZAZTESA-N 2 1 359.474 -0.522 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659746955 485261495 /nfs/dbraw/zinc/26/14/95/485261495.db2.gz UFNDKSOZUKGZAE-IAGOWNOFSA-N 2 1 359.474 -0.522 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659746956 485261669 /nfs/dbraw/zinc/26/16/69/485261669.db2.gz UFNDKSOZUKGZAE-IRXDYDNUSA-N 2 1 359.474 -0.522 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659746957 485261538 /nfs/dbraw/zinc/26/15/38/485261538.db2.gz UFNDKSOZUKGZAE-SJORKVTESA-N 2 1 359.474 -0.522 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659747082 485261865 /nfs/dbraw/zinc/26/18/65/485261865.db2.gz VCXAKNJFJOKYNS-ROUUACIJSA-N 2 1 373.501 -0.132 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659747083 485262294 /nfs/dbraw/zinc/26/22/94/485262294.db2.gz VCXAKNJFJOKYNS-ZWKOTPCHSA-N 2 1 373.501 -0.132 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747145 485261806 /nfs/dbraw/zinc/26/18/06/485261806.db2.gz XGYWFFYXLPDGJZ-MSOLQXFVSA-N 2 1 373.501 -0.261 20 0 FBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747146 485260871 /nfs/dbraw/zinc/26/08/71/485260871.db2.gz XGYWFFYXLPDGJZ-QZTJIDSGSA-N 2 1 373.501 -0.261 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747147 485262065 /nfs/dbraw/zinc/26/20/65/485262065.db2.gz XGYWFFYXLPDGJZ-ROUUACIJSA-N 2 1 373.501 -0.261 20 0 FBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747148 485261168 /nfs/dbraw/zinc/26/11/68/485261168.db2.gz XGYWFFYXLPDGJZ-ZWKOTPCHSA-N 2 1 373.501 -0.261 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1C ZINC000659747281 485261471 /nfs/dbraw/zinc/26/14/71/485261471.db2.gz ACBMGIRBIOCLCS-GHMZBOCLSA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1C ZINC000659747281 485261467 /nfs/dbraw/zinc/26/14/67/485261467.db2.gz ACBMGIRBIOCLCS-GHMZBOCLSA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1C ZINC000659747282 485261108 /nfs/dbraw/zinc/26/11/08/485261108.db2.gz ACBMGIRBIOCLCS-MNOVXSKESA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1C ZINC000659747282 485261106 /nfs/dbraw/zinc/26/11/06/485261106.db2.gz ACBMGIRBIOCLCS-MNOVXSKESA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1C ZINC000659747283 485261389 /nfs/dbraw/zinc/26/13/89/485261389.db2.gz ACBMGIRBIOCLCS-QWRGUYRKSA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1C ZINC000659747283 485261383 /nfs/dbraw/zinc/26/13/83/485261383.db2.gz ACBMGIRBIOCLCS-QWRGUYRKSA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1C ZINC000659747284 485260902 /nfs/dbraw/zinc/26/09/02/485260902.db2.gz ACBMGIRBIOCLCS-WDEREUQCSA-N 2 1 350.423 -0.802 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1C ZINC000659747284 485260896 /nfs/dbraw/zinc/26/08/96/485260896.db2.gz ACBMGIRBIOCLCS-WDEREUQCSA-N 2 1 350.423 -0.802 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747332 485261271 /nfs/dbraw/zinc/26/12/71/485261271.db2.gz BPHPXFCGTFTHLI-UHFFFAOYSA-N 2 1 364.450 -0.410 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659747367 485261641 /nfs/dbraw/zinc/26/16/41/485261641.db2.gz YQGDMXKDMFKXMN-MSOLQXFVSA-N 2 1 373.501 -0.274 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659747368 485261746 /nfs/dbraw/zinc/26/17/46/485261746.db2.gz YQGDMXKDMFKXMN-QZTJIDSGSA-N 2 1 373.501 -0.274 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659747370 485262004 /nfs/dbraw/zinc/26/20/04/485262004.db2.gz YQGDMXKDMFKXMN-ROUUACIJSA-N 2 1 373.501 -0.274 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659747371 485261849 /nfs/dbraw/zinc/26/18/49/485261849.db2.gz YQGDMXKDMFKXMN-ZWKOTPCHSA-N 2 1 373.501 -0.274 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659747405 485262201 /nfs/dbraw/zinc/26/22/01/485262201.db2.gz ZOENZWHDCPNEMY-DOTOQJQBSA-N 2 1 361.490 -0.357 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659747406 485261699 /nfs/dbraw/zinc/26/16/99/485261699.db2.gz ZOENZWHDCPNEMY-NVXWUHKLSA-N 2 1 361.490 -0.357 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659747407 485261822 /nfs/dbraw/zinc/26/18/22/485261822.db2.gz ZOENZWHDCPNEMY-RDJZCZTQSA-N 2 1 361.490 -0.357 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659747408 485261733 /nfs/dbraw/zinc/26/17/33/485261733.db2.gz ZOENZWHDCPNEMY-WBVHZDCISA-N 2 1 361.490 -0.357 20 0 FBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747628 485261778 /nfs/dbraw/zinc/26/17/78/485261778.db2.gz GWWMKOCLBSDLQX-TXEJJXNPSA-N 2 1 364.450 -0.364 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747676 485262155 /nfs/dbraw/zinc/26/21/55/485262155.db2.gz HUFBUZROLVQVHM-CYBMUJFWSA-N 2 1 364.450 -0.410 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747703 485261301 /nfs/dbraw/zinc/26/13/01/485261301.db2.gz HUFBUZROLVQVHM-ZDUSSCGKSA-N 2 1 364.450 -0.410 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747704 485261185 /nfs/dbraw/zinc/26/11/85/485261185.db2.gz HYEUTGIJDAFPMT-UHFFFAOYSA-N 2 1 350.423 -0.800 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000659747968 485262926 /nfs/dbraw/zinc/26/29/26/485262926.db2.gz BOWVHZKTLVFCEM-NEPJUHHUSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000659747970 485263617 /nfs/dbraw/zinc/26/36/17/485263617.db2.gz BOWVHZKTLVFCEM-NWDGAFQWSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000659747972 485263810 /nfs/dbraw/zinc/26/38/10/485263810.db2.gz BOWVHZKTLVFCEM-RYUDHWBXSA-N 2 1 364.450 -0.506 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000659747974 485263603 /nfs/dbraw/zinc/26/36/03/485263603.db2.gz BOWVHZKTLVFCEM-VXGBXAGGSA-N 2 1 364.450 -0.506 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@@H]21 ZINC000659747989 485262860 /nfs/dbraw/zinc/26/28/60/485262860.db2.gz CAOBDAXNQJPXLE-AAEUAGOBSA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@H]21 ZINC000659747990 485262976 /nfs/dbraw/zinc/26/29/76/485262976.db2.gz CAOBDAXNQJPXLE-DGCLKSJQSA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@H]21 ZINC000659747992 485263148 /nfs/dbraw/zinc/26/31/48/485263148.db2.gz CAOBDAXNQJPXLE-WCQYABFASA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@@H]21 ZINC000659747993 485262762 /nfs/dbraw/zinc/26/27/62/485262762.db2.gz CAOBDAXNQJPXLE-YPMHNXCESA-N 2 1 362.434 -0.800 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748271 485263408 /nfs/dbraw/zinc/26/34/08/485263408.db2.gz RRPIQOACVCPKJN-JTQLQIEISA-N 2 1 350.423 -0.754 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748272 485263554 /nfs/dbraw/zinc/26/35/54/485263554.db2.gz RRPIQOACVCPKJN-SNVBAGLBSA-N 2 1 350.423 -0.754 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748368 485262836 /nfs/dbraw/zinc/26/28/36/485262836.db2.gz UPZJOLZEAMLJDV-GFCCVEGCSA-N 2 1 364.450 -0.553 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748370 485262750 /nfs/dbraw/zinc/26/27/50/485262750.db2.gz UPZJOLZEAMLJDV-LBPRGKRZSA-N 2 1 364.450 -0.553 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748404 485263169 /nfs/dbraw/zinc/26/31/69/485263169.db2.gz VFSQJXJEQHKYEO-UHFFFAOYSA-N 2 1 350.423 -0.943 20 0 FBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748442 485263979 /nfs/dbraw/zinc/26/39/79/485263979.db2.gz WDPWYZZASHEJCT-GFCCVEGCSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748442 485263976 /nfs/dbraw/zinc/26/39/76/485263976.db2.gz WDPWYZZASHEJCT-GFCCVEGCSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748454 485263659 /nfs/dbraw/zinc/26/36/59/485263659.db2.gz WDPWYZZASHEJCT-LBPRGKRZSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748454 485263655 /nfs/dbraw/zinc/26/36/55/485263655.db2.gz WDPWYZZASHEJCT-LBPRGKRZSA-N 2 1 350.423 -0.944 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748459 485262852 /nfs/dbraw/zinc/26/28/52/485262852.db2.gz WIJPQTHGANZORJ-OLZOCXBDSA-N 2 1 362.434 -0.658 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748900 485264568 /nfs/dbraw/zinc/26/45/68/485264568.db2.gz OQTQHHIPEPSFMW-AAEUAGOBSA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748901 485264790 /nfs/dbraw/zinc/26/47/90/485264790.db2.gz OQTQHHIPEPSFMW-DGCLKSJQSA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748902 485264676 /nfs/dbraw/zinc/26/46/76/485264676.db2.gz OQTQHHIPEPSFMW-WCQYABFASA-N 2 1 362.434 -0.800 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748903 485264847 /nfs/dbraw/zinc/26/48/47/485264847.db2.gz OQTQHHIPEPSFMW-YPMHNXCESA-N 2 1 362.434 -0.800 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000659749195 485264817 /nfs/dbraw/zinc/26/48/17/485264817.db2.gz FRHGGUJCCADAFL-HNNXBMFYSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000659749196 485264992 /nfs/dbraw/zinc/26/49/92/485264992.db2.gz FRHGGUJCCADAFL-OAHLLOKOSA-N 2 1 353.511 -0.273 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749292 485264733 /nfs/dbraw/zinc/26/47/33/485264733.db2.gz VCIKOZXRTRCBGC-GFCCVEGCSA-N 2 1 350.423 -0.802 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749294 485264740 /nfs/dbraw/zinc/26/47/40/485264740.db2.gz VCIKOZXRTRCBGC-LBPRGKRZSA-N 2 1 350.423 -0.802 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1C ZINC000659749558 485264759 /nfs/dbraw/zinc/26/47/59/485264759.db2.gz ZBJZCHDJAPUJRT-GFCCVEGCSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1C ZINC000659749558 485264756 /nfs/dbraw/zinc/26/47/56/485264756.db2.gz ZBJZCHDJAPUJRT-GFCCVEGCSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1C ZINC000659749559 485265030 /nfs/dbraw/zinc/26/50/30/485265030.db2.gz ZBJZCHDJAPUJRT-LBPRGKRZSA-N 2 1 350.423 -0.944 20 0 FBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1C ZINC000659749559 485265027 /nfs/dbraw/zinc/26/50/27/485265027.db2.gz ZBJZCHDJAPUJRT-LBPRGKRZSA-N 2 1 350.423 -0.944 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000659749957 485264969 /nfs/dbraw/zinc/26/49/69/485264969.db2.gz KWQXIBALYBODRF-KBPBESRZSA-N 2 1 367.519 -0.123 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000659749958 485264350 /nfs/dbraw/zinc/26/43/50/485264350.db2.gz KWQXIBALYBODRF-KGLIPLIRSA-N 2 1 367.519 -0.123 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000659749959 485264530 /nfs/dbraw/zinc/26/45/30/485264530.db2.gz KWQXIBALYBODRF-UONOGXRCSA-N 2 1 367.519 -0.123 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000659749960 485265082 /nfs/dbraw/zinc/26/50/82/485265082.db2.gz KWQXIBALYBODRF-ZIAGYGMSSA-N 2 1 367.519 -0.123 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000659750528 485264810 /nfs/dbraw/zinc/26/48/10/485264810.db2.gz CMVHTSRYUWONGY-INIZCTEOSA-N 2 1 361.490 -0.009 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000659750535 485264945 /nfs/dbraw/zinc/26/49/45/485264945.db2.gz CMVHTSRYUWONGY-MRXNPFEDSA-N 2 1 361.490 -0.009 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659751952 485264461 /nfs/dbraw/zinc/26/44/61/485264461.db2.gz KEKDAWCPCRARHW-HRCADAONSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659751958 485264781 /nfs/dbraw/zinc/26/47/81/485264781.db2.gz KEKDAWCPCRARHW-OAGGEKHMSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000659751963 485264608 /nfs/dbraw/zinc/26/46/08/485264608.db2.gz KEXWDUXWRCIQOQ-JZWPEALZSA-N 2 1 351.495 -0.520 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000659751968 485264712 /nfs/dbraw/zinc/26/47/12/485264712.db2.gz KEXWDUXWRCIQOQ-LSVZVQIISA-N 2 1 351.495 -0.520 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000659753195 485265059 /nfs/dbraw/zinc/26/50/59/485265059.db2.gz OJXZOXRQEQBMSH-AWEZNQCLSA-N 2 1 367.494 -0.887 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000659753196 485264903 /nfs/dbraw/zinc/26/49/03/485264903.db2.gz OJXZOXRQEQBMSH-CQSZACIVSA-N 2 1 367.494 -0.887 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000659754203 485265757 /nfs/dbraw/zinc/26/57/57/485265757.db2.gz TWQKXEIZMMDCQP-HNNXBMFYSA-N 2 1 353.511 -0.223 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000659754205 485265704 /nfs/dbraw/zinc/26/57/04/485265704.db2.gz TWQKXEIZMMDCQP-OAHLLOKOSA-N 2 1 353.511 -0.223 20 0 FBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000659755233 484668098 /nfs/dbraw/zinc/66/80/98/484668098.db2.gz KEFLHENYMHALEK-GFCCVEGCSA-N 2 1 368.400 -0.176 20 0 FBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000659755234 484669497 /nfs/dbraw/zinc/66/94/97/484669497.db2.gz KEFLHENYMHALEK-LBPRGKRZSA-N 2 1 368.400 -0.176 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659780937 485266811 /nfs/dbraw/zinc/26/68/11/485266811.db2.gz GBWDFNOOXNOTKD-BRWVUGGUSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659780937 485266808 /nfs/dbraw/zinc/26/68/08/485266808.db2.gz GBWDFNOOXNOTKD-BRWVUGGUSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659780939 485266891 /nfs/dbraw/zinc/26/68/91/485266891.db2.gz GBWDFNOOXNOTKD-IKGGRYGDSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659780939 485266889 /nfs/dbraw/zinc/26/68/89/485266889.db2.gz GBWDFNOOXNOTKD-IKGGRYGDSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659780941 485267072 /nfs/dbraw/zinc/26/70/72/485267072.db2.gz GBWDFNOOXNOTKD-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659780941 485267069 /nfs/dbraw/zinc/26/70/69/485267069.db2.gz GBWDFNOOXNOTKD-IXDOHACOSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659780943 485267057 /nfs/dbraw/zinc/26/70/57/485267057.db2.gz GBWDFNOOXNOTKD-ZACQAIPSSA-N 2 1 364.490 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659780943 485267053 /nfs/dbraw/zinc/26/70/53/485267053.db2.gz GBWDFNOOXNOTKD-ZACQAIPSSA-N 2 1 364.490 -0.138 20 0 FBADMP CN1CC(=O)N(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000660071911 485275335 /nfs/dbraw/zinc/27/53/35/485275335.db2.gz PFOIFNKKSKUTJJ-UHFFFAOYSA-N 2 1 365.478 -0.244 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C ZINC000660160425 485278863 /nfs/dbraw/zinc/27/88/63/485278863.db2.gz JXRJVPXQWYSPNK-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C ZINC000660160425 485278859 /nfs/dbraw/zinc/27/88/59/485278859.db2.gz JXRJVPXQWYSPNK-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C ZINC000660160428 485279548 /nfs/dbraw/zinc/27/95/48/485279548.db2.gz JXRJVPXQWYSPNK-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C ZINC000660160428 485279545 /nfs/dbraw/zinc/27/95/45/485279545.db2.gz JXRJVPXQWYSPNK-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C ZINC000660160430 485278949 /nfs/dbraw/zinc/27/89/49/485278949.db2.gz JXRJVPXQWYSPNK-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C ZINC000660160430 485278946 /nfs/dbraw/zinc/27/89/46/485278946.db2.gz JXRJVPXQWYSPNK-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C ZINC000660160433 485279127 /nfs/dbraw/zinc/27/91/27/485279127.db2.gz JXRJVPXQWYSPNK-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C ZINC000660160433 485279122 /nfs/dbraw/zinc/27/91/22/485279122.db2.gz JXRJVPXQWYSPNK-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000660234517 485280550 /nfs/dbraw/zinc/28/05/50/485280550.db2.gz VTEOKDIIMGUNEH-INIZCTEOSA-N 2 1 366.506 -0.154 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000660234517 485280546 /nfs/dbraw/zinc/28/05/46/485280546.db2.gz VTEOKDIIMGUNEH-INIZCTEOSA-N 2 1 366.506 -0.154 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@H+]1CCO ZINC000660234518 485280374 /nfs/dbraw/zinc/28/03/74/485280374.db2.gz VTEOKDIIMGUNEH-MRXNPFEDSA-N 2 1 366.506 -0.154 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1CCO ZINC000660234518 485280368 /nfs/dbraw/zinc/28/03/68/485280368.db2.gz VTEOKDIIMGUNEH-MRXNPFEDSA-N 2 1 366.506 -0.154 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660269639 484098168 /nfs/dbraw/zinc/09/81/68/484098168.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660269639 484098164 /nfs/dbraw/zinc/09/81/64/484098164.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269639 484098159 /nfs/dbraw/zinc/09/81/59/484098159.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269639 484098153 /nfs/dbraw/zinc/09/81/53/484098153.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269639 484098146 /nfs/dbraw/zinc/09/81/46/484098146.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660269640 484098488 /nfs/dbraw/zinc/09/84/88/484098488.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660269640 484098484 /nfs/dbraw/zinc/09/84/84/484098484.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269640 484098478 /nfs/dbraw/zinc/09/84/78/484098478.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269640 484098473 /nfs/dbraw/zinc/09/84/73/484098473.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269640 484098468 /nfs/dbraw/zinc/09/84/68/484098468.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660269641 484098528 /nfs/dbraw/zinc/09/85/28/484098528.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660269641 484098526 /nfs/dbraw/zinc/09/85/26/484098526.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269641 484098520 /nfs/dbraw/zinc/09/85/20/484098520.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269641 484098516 /nfs/dbraw/zinc/09/85/16/484098516.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269641 484098513 /nfs/dbraw/zinc/09/85/13/484098513.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660269642 484100386 /nfs/dbraw/zinc/10/03/86/484100386.db2.gz JVXSQLVAGHDFGJ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660269642 484100381 /nfs/dbraw/zinc/10/03/81/484100381.db2.gz JVXSQLVAGHDFGJ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269642 484100377 /nfs/dbraw/zinc/10/03/77/484100377.db2.gz JVXSQLVAGHDFGJ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660269642 484100371 /nfs/dbraw/zinc/10/03/71/484100371.db2.gz JVXSQLVAGHDFGJ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1CC(C)(C)O ZINC000660270583 485282586 /nfs/dbraw/zinc/28/25/86/485282586.db2.gz CWMUIDVSIQQQBC-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1CC(C)(C)O ZINC000660270583 485282582 /nfs/dbraw/zinc/28/25/82/485282582.db2.gz CWMUIDVSIQQQBC-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1CC(C)(C)O ZINC000660270583 485282577 /nfs/dbraw/zinc/28/25/77/485282577.db2.gz CWMUIDVSIQQQBC-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1CC(C)(C)O ZINC000660270583 485282572 /nfs/dbraw/zinc/28/25/72/485282572.db2.gz CWMUIDVSIQQQBC-OAGGEKHMSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1CC(C)(C)O ZINC000660270584 485281313 /nfs/dbraw/zinc/28/13/13/485281313.db2.gz CWMUIDVSIQQQBC-XHSDSOJGSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1CC(C)(C)O ZINC000660270584 485281311 /nfs/dbraw/zinc/28/13/11/485281311.db2.gz CWMUIDVSIQQQBC-XHSDSOJGSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1CC(C)(C)O ZINC000660270584 485281308 /nfs/dbraw/zinc/28/13/08/485281308.db2.gz CWMUIDVSIQQQBC-XHSDSOJGSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1CC(C)(C)O ZINC000660270584 485281305 /nfs/dbraw/zinc/28/13/05/485281305.db2.gz CWMUIDVSIQQQBC-XHSDSOJGSA-N 2 1 366.506 -0.015 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[N@@H+](C)C1 ZINC000660270586 485282202 /nfs/dbraw/zinc/28/22/02/485282202.db2.gz DQYFGYYQJPOIQE-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[N@H+](C)C1 ZINC000660270586 485282196 /nfs/dbraw/zinc/28/21/96/485282196.db2.gz DQYFGYYQJPOIQE-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C1 ZINC000660270586 485282191 /nfs/dbraw/zinc/28/21/91/485282191.db2.gz DQYFGYYQJPOIQE-UGUYLWEFSA-N 2 1 352.479 -0.141 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@H](C)O ZINC000660279033 485281380 /nfs/dbraw/zinc/28/13/80/485281380.db2.gz GEGRTUHQOAHPFA-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@H](C)O ZINC000660279033 485281379 /nfs/dbraw/zinc/28/13/79/485281379.db2.gz GEGRTUHQOAHPFA-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@H](C)O ZINC000660279033 485281377 /nfs/dbraw/zinc/28/13/77/485281377.db2.gz GEGRTUHQOAHPFA-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@H](C)O ZINC000660279033 485281376 /nfs/dbraw/zinc/28/13/76/485281376.db2.gz GEGRTUHQOAHPFA-HZMVEIRTSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@H](C)O ZINC000660279035 485281521 /nfs/dbraw/zinc/28/15/21/485281521.db2.gz GEGRTUHQOAHPFA-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@H](C)O ZINC000660279035 485281517 /nfs/dbraw/zinc/28/15/17/485281517.db2.gz GEGRTUHQOAHPFA-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@H](C)O ZINC000660279035 485281514 /nfs/dbraw/zinc/28/15/14/485281514.db2.gz GEGRTUHQOAHPFA-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@H](C)O ZINC000660279035 485281509 /nfs/dbraw/zinc/28/15/09/485281509.db2.gz GEGRTUHQOAHPFA-NXOAAHMSSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000660279038 485282497 /nfs/dbraw/zinc/28/24/97/485282497.db2.gz GEGRTUHQOAHPFA-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000660279038 485282492 /nfs/dbraw/zinc/28/24/92/485282492.db2.gz GEGRTUHQOAHPFA-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@@H](C)O ZINC000660279038 485282489 /nfs/dbraw/zinc/28/24/89/485282489.db2.gz GEGRTUHQOAHPFA-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@@H](C)O ZINC000660279038 485282485 /nfs/dbraw/zinc/28/24/85/485282485.db2.gz GEGRTUHQOAHPFA-TWMKSMIVSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000660279040 485281283 /nfs/dbraw/zinc/28/12/83/485281283.db2.gz GEGRTUHQOAHPFA-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000660279040 485281279 /nfs/dbraw/zinc/28/12/79/485281279.db2.gz GEGRTUHQOAHPFA-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@@H](C)O ZINC000660279040 485281275 /nfs/dbraw/zinc/28/12/75/485281275.db2.gz GEGRTUHQOAHPFA-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@@H](C)O ZINC000660279040 485281271 /nfs/dbraw/zinc/28/12/71/485281271.db2.gz GEGRTUHQOAHPFA-VQHPVUNQSA-N 2 1 366.506 -0.015 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000660279123 485281649 /nfs/dbraw/zinc/28/16/49/485281649.db2.gz WDSVLUMUZWQADT-FPCVCCKLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000660279123 485281642 /nfs/dbraw/zinc/28/16/42/485281642.db2.gz WDSVLUMUZWQADT-FPCVCCKLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000660279123 485281634 /nfs/dbraw/zinc/28/16/34/485281634.db2.gz WDSVLUMUZWQADT-FPCVCCKLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000660279123 485281627 /nfs/dbraw/zinc/28/16/27/485281627.db2.gz WDSVLUMUZWQADT-FPCVCCKLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000660279124 485281767 /nfs/dbraw/zinc/28/17/67/485281767.db2.gz WDSVLUMUZWQADT-JJXSEGSLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000660279124 485281760 /nfs/dbraw/zinc/28/17/60/485281760.db2.gz WDSVLUMUZWQADT-JJXSEGSLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000660279124 485281756 /nfs/dbraw/zinc/28/17/56/485281756.db2.gz WDSVLUMUZWQADT-JJXSEGSLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000660279124 485281753 /nfs/dbraw/zinc/28/17/53/485281753.db2.gz WDSVLUMUZWQADT-JJXSEGSLSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000660279125 485282462 /nfs/dbraw/zinc/28/24/62/485282462.db2.gz WDSVLUMUZWQADT-JONQDZQNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000660279125 485282458 /nfs/dbraw/zinc/28/24/58/485282458.db2.gz WDSVLUMUZWQADT-JONQDZQNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000660279125 485282455 /nfs/dbraw/zinc/28/24/55/485282455.db2.gz WDSVLUMUZWQADT-JONQDZQNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000660279125 485282452 /nfs/dbraw/zinc/28/24/52/485282452.db2.gz WDSVLUMUZWQADT-JONQDZQNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000660279126 485282108 /nfs/dbraw/zinc/28/21/08/485282108.db2.gz WDSVLUMUZWQADT-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000660279126 485282099 /nfs/dbraw/zinc/28/20/99/485282099.db2.gz WDSVLUMUZWQADT-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000660279126 485282094 /nfs/dbraw/zinc/28/20/94/485282094.db2.gz WDSVLUMUZWQADT-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000660279126 485282085 /nfs/dbraw/zinc/28/20/85/485282085.db2.gz WDSVLUMUZWQADT-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000660316571 485283609 /nfs/dbraw/zinc/28/36/09/485283609.db2.gz FFFMCFXSIFHRJV-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000660316571 485283605 /nfs/dbraw/zinc/28/36/05/485283605.db2.gz FFFMCFXSIFHRJV-UHFFFAOYSA-N 2 1 366.506 -0.012 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H](C)[N@@H+]1CCO ZINC000660316617 485283098 /nfs/dbraw/zinc/28/30/98/485283098.db2.gz LTWLVPPCOQGJIE-IYBDPMFKSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H](C)[N@H+]1CCO ZINC000660316617 485283091 /nfs/dbraw/zinc/28/30/91/485283091.db2.gz LTWLVPPCOQGJIE-IYBDPMFKSA-N 2 1 366.506 -0.013 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349010 485283743 /nfs/dbraw/zinc/28/37/43/485283743.db2.gz OFIAUUSECAOUKZ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349010 485283741 /nfs/dbraw/zinc/28/37/41/485283741.db2.gz OFIAUUSECAOUKZ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1C ZINC000660349010 485283736 /nfs/dbraw/zinc/28/37/36/485283736.db2.gz OFIAUUSECAOUKZ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1C ZINC000660349010 485283732 /nfs/dbraw/zinc/28/37/32/485283732.db2.gz OFIAUUSECAOUKZ-CABCVRRESA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349029 485283839 /nfs/dbraw/zinc/28/38/39/485283839.db2.gz OFIAUUSECAOUKZ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349029 485283833 /nfs/dbraw/zinc/28/38/33/485283833.db2.gz OFIAUUSECAOUKZ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1C ZINC000660349029 485283827 /nfs/dbraw/zinc/28/38/27/485283827.db2.gz OFIAUUSECAOUKZ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1C ZINC000660349029 485283823 /nfs/dbraw/zinc/28/38/23/485283823.db2.gz OFIAUUSECAOUKZ-GJZGRUSLSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349032 485282951 /nfs/dbraw/zinc/28/29/51/485282951.db2.gz OFIAUUSECAOUKZ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349032 485282948 /nfs/dbraw/zinc/28/29/48/485282948.db2.gz OFIAUUSECAOUKZ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1C ZINC000660349032 485282942 /nfs/dbraw/zinc/28/29/42/485282942.db2.gz OFIAUUSECAOUKZ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1C ZINC000660349032 485282939 /nfs/dbraw/zinc/28/29/39/485282939.db2.gz OFIAUUSECAOUKZ-HUUCEWRRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349038 485283667 /nfs/dbraw/zinc/28/36/67/485283667.db2.gz OFIAUUSECAOUKZ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1C ZINC000660349038 485283663 /nfs/dbraw/zinc/28/36/63/485283663.db2.gz OFIAUUSECAOUKZ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1C ZINC000660349038 485283661 /nfs/dbraw/zinc/28/36/61/485283661.db2.gz OFIAUUSECAOUKZ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1C ZINC000660349038 485283657 /nfs/dbraw/zinc/28/36/57/485283657.db2.gz OFIAUUSECAOUKZ-LSDHHAIUSA-N 2 1 354.495 -0.157 20 0 FBADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660532326 485288466 /nfs/dbraw/zinc/28/84/66/485288466.db2.gz GQVGHHRCZHQGEQ-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660532326 485288463 /nfs/dbraw/zinc/28/84/63/485288463.db2.gz GQVGHHRCZHQGEQ-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532326 485288459 /nfs/dbraw/zinc/28/84/59/485288459.db2.gz GQVGHHRCZHQGEQ-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532326 485288456 /nfs/dbraw/zinc/28/84/56/485288456.db2.gz GQVGHHRCZHQGEQ-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660532332 485287826 /nfs/dbraw/zinc/28/78/26/485287826.db2.gz GQVGHHRCZHQGEQ-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660532332 485287820 /nfs/dbraw/zinc/28/78/20/485287820.db2.gz GQVGHHRCZHQGEQ-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532332 485287814 /nfs/dbraw/zinc/28/78/14/485287814.db2.gz GQVGHHRCZHQGEQ-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532332 485287812 /nfs/dbraw/zinc/28/78/12/485287812.db2.gz GQVGHHRCZHQGEQ-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660532333 485288389 /nfs/dbraw/zinc/28/83/89/485288389.db2.gz GQVGHHRCZHQGEQ-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660532333 485288384 /nfs/dbraw/zinc/28/83/84/485288384.db2.gz GQVGHHRCZHQGEQ-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532333 485288381 /nfs/dbraw/zinc/28/83/81/485288381.db2.gz GQVGHHRCZHQGEQ-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532333 485288377 /nfs/dbraw/zinc/28/83/77/485288377.db2.gz GQVGHHRCZHQGEQ-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660532334 485288427 /nfs/dbraw/zinc/28/84/27/485288427.db2.gz GQVGHHRCZHQGEQ-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660532334 485288424 /nfs/dbraw/zinc/28/84/24/485288424.db2.gz GQVGHHRCZHQGEQ-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532334 485288419 /nfs/dbraw/zinc/28/84/19/485288419.db2.gz GQVGHHRCZHQGEQ-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660532334 485288416 /nfs/dbraw/zinc/28/84/16/485288416.db2.gz GQVGHHRCZHQGEQ-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP Cn1c2ncn(CC[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658332 485291061 /nfs/dbraw/zinc/29/10/61/485291061.db2.gz YPLASJORFDBUMC-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658332 485291057 /nfs/dbraw/zinc/29/10/57/485291057.db2.gz YPLASJORFDBUMC-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658332 485291051 /nfs/dbraw/zinc/29/10/51/485291051.db2.gz YPLASJORFDBUMC-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658332 485291045 /nfs/dbraw/zinc/29/10/45/485291045.db2.gz YPLASJORFDBUMC-GOSISDBHSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658335 485291329 /nfs/dbraw/zinc/29/13/29/485291329.db2.gz YPLASJORFDBUMC-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658335 485291326 /nfs/dbraw/zinc/29/13/26/485291326.db2.gz YPLASJORFDBUMC-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658335 485291323 /nfs/dbraw/zinc/29/13/23/485291323.db2.gz YPLASJORFDBUMC-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP Cn1c2ncn(CC[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c(=O)n(C)c1=O ZINC000660658335 485291320 /nfs/dbraw/zinc/29/13/20/485291320.db2.gz YPLASJORFDBUMC-SFHVURJKSA-N 2 1 360.462 -0.149 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660771947 485295081 /nfs/dbraw/zinc/29/50/81/485295081.db2.gz VUECCCAJWHJOML-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660771947 485295076 /nfs/dbraw/zinc/29/50/76/485295076.db2.gz VUECCCAJWHJOML-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771947 485295071 /nfs/dbraw/zinc/29/50/71/485295071.db2.gz VUECCCAJWHJOML-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771947 485295066 /nfs/dbraw/zinc/29/50/66/485295066.db2.gz VUECCCAJWHJOML-HNNXBMFYSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660771951 485295155 /nfs/dbraw/zinc/29/51/55/485295155.db2.gz VUECCCAJWHJOML-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660771951 485295151 /nfs/dbraw/zinc/29/51/51/485295151.db2.gz VUECCCAJWHJOML-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771951 485295146 /nfs/dbraw/zinc/29/51/46/485295146.db2.gz VUECCCAJWHJOML-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771951 485295143 /nfs/dbraw/zinc/29/51/43/485295143.db2.gz VUECCCAJWHJOML-OAHLLOKOSA-N 2 1 354.495 -0.298 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000660791571 485294806 /nfs/dbraw/zinc/29/48/06/485294806.db2.gz MNVBAQBXQBWIOH-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000660791571 485294803 /nfs/dbraw/zinc/29/48/03/485294803.db2.gz MNVBAQBXQBWIOH-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000660791571 485294799 /nfs/dbraw/zinc/29/47/99/485294799.db2.gz MNVBAQBXQBWIOH-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000660791571 485294798 /nfs/dbraw/zinc/29/47/98/485294798.db2.gz MNVBAQBXQBWIOH-QLFBSQMISA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000660791573 485294868 /nfs/dbraw/zinc/29/48/68/485294868.db2.gz MNVBAQBXQBWIOH-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000660791573 485294867 /nfs/dbraw/zinc/29/48/67/485294867.db2.gz MNVBAQBXQBWIOH-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000660791573 485294864 /nfs/dbraw/zinc/29/48/64/485294864.db2.gz MNVBAQBXQBWIOH-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000660791573 485294862 /nfs/dbraw/zinc/29/48/62/485294862.db2.gz MNVBAQBXQBWIOH-SOUVJXGZSA-N 2 1 352.479 -0.548 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660858713 485297725 /nfs/dbraw/zinc/29/77/25/485297725.db2.gz PQVXOHSIFDEACQ-UHFFFAOYSA-N 2 1 367.494 -0.343 20 0 FBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900211 485298743 /nfs/dbraw/zinc/29/87/43/485298743.db2.gz GQBBLKMBTDFPJU-APWZRJJASA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900211 485298741 /nfs/dbraw/zinc/29/87/41/485298741.db2.gz GQBBLKMBTDFPJU-APWZRJJASA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900214 485298644 /nfs/dbraw/zinc/29/86/44/485298644.db2.gz GQBBLKMBTDFPJU-LPHOPBHVSA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900214 485298639 /nfs/dbraw/zinc/29/86/39/485298639.db2.gz GQBBLKMBTDFPJU-LPHOPBHVSA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900215 485298572 /nfs/dbraw/zinc/29/85/72/485298572.db2.gz GQBBLKMBTDFPJU-QFBILLFUSA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900215 485298567 /nfs/dbraw/zinc/29/85/67/485298567.db2.gz GQBBLKMBTDFPJU-QFBILLFUSA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900217 485298960 /nfs/dbraw/zinc/29/89/60/485298960.db2.gz GQBBLKMBTDFPJU-VQIMIIECSA-N 2 1 364.490 -0.279 20 0 FBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900217 485298957 /nfs/dbraw/zinc/29/89/57/485298957.db2.gz GQBBLKMBTDFPJU-VQIMIIECSA-N 2 1 364.490 -0.279 20 0 FBADMP O[C@@H](C[NH+]1CC[C@H](Cn2ccnn2)C1)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143155 485305267 /nfs/dbraw/zinc/30/52/67/485305267.db2.gz BQKLEQWJKUYJGJ-BJWYYQGGSA-N 2 1 360.466 -0.426 20 0 FBADMP O[C@@H](C[NH+]1CC[C@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143155 485305256 /nfs/dbraw/zinc/30/52/56/485305256.db2.gz BQKLEQWJKUYJGJ-BJWYYQGGSA-N 2 1 360.466 -0.426 20 0 FBADMP O[C@H](C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143155 485305249 /nfs/dbraw/zinc/30/52/49/485305249.db2.gz BQKLEQWJKUYJGJ-BJWYYQGGSA-N 2 1 360.466 -0.426 20 0 FBADMP OC(C[NH+]1CC[C@H](Cn2ccnn2)C1)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143157 485305669 /nfs/dbraw/zinc/30/56/69/485305669.db2.gz BQKLEQWJKUYJGJ-HOTGVXAUSA-N 2 1 360.466 -0.426 20 0 FBADMP OC(C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143159 485305596 /nfs/dbraw/zinc/30/55/96/485305596.db2.gz BQKLEQWJKUYJGJ-HZPDHXFCSA-N 2 1 360.466 -0.426 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000661232656 485308798 /nfs/dbraw/zinc/30/87/98/485308798.db2.gz FYEYOFZUQWZTCM-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000661232658 485308727 /nfs/dbraw/zinc/30/87/27/485308727.db2.gz FYEYOFZUQWZTCM-PMPSAXMXSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000661232712 485308375 /nfs/dbraw/zinc/30/83/75/485308375.db2.gz KLMPLJPJXSHGFO-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000661232712 485308371 /nfs/dbraw/zinc/30/83/71/485308371.db2.gz KLMPLJPJXSHGFO-CVEARBPZSA-N 2 1 366.506 -0.013 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333555 485311443 /nfs/dbraw/zinc/31/14/43/485311443.db2.gz VASMSRUTDZQYRR-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333555 485311442 /nfs/dbraw/zinc/31/14/42/485311442.db2.gz VASMSRUTDZQYRR-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333555 485311439 /nfs/dbraw/zinc/31/14/39/485311439.db2.gz VASMSRUTDZQYRR-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333555 485311437 /nfs/dbraw/zinc/31/14/37/485311437.db2.gz VASMSRUTDZQYRR-CVEARBPZSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333556 485311349 /nfs/dbraw/zinc/31/13/49/485311349.db2.gz VASMSRUTDZQYRR-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333556 485311345 /nfs/dbraw/zinc/31/13/45/485311345.db2.gz VASMSRUTDZQYRR-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333556 485311342 /nfs/dbraw/zinc/31/13/42/485311342.db2.gz VASMSRUTDZQYRR-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000661333556 485311338 /nfs/dbraw/zinc/31/13/38/485311338.db2.gz VASMSRUTDZQYRR-HOTGVXAUSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333558 485311227 /nfs/dbraw/zinc/31/12/27/485311227.db2.gz VASMSRUTDZQYRR-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333558 485311224 /nfs/dbraw/zinc/31/12/24/485311224.db2.gz VASMSRUTDZQYRR-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333558 485311220 /nfs/dbraw/zinc/31/12/20/485311220.db2.gz VASMSRUTDZQYRR-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333558 485311215 /nfs/dbraw/zinc/31/12/15/485311215.db2.gz VASMSRUTDZQYRR-HZPDHXFCSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333559 485311531 /nfs/dbraw/zinc/31/15/31/485311531.db2.gz VASMSRUTDZQYRR-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333559 485311529 /nfs/dbraw/zinc/31/15/29/485311529.db2.gz VASMSRUTDZQYRR-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333559 485311527 /nfs/dbraw/zinc/31/15/27/485311527.db2.gz VASMSRUTDZQYRR-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000661333559 485311526 /nfs/dbraw/zinc/31/15/26/485311526.db2.gz VASMSRUTDZQYRR-JKSUJKDBSA-N 2 1 366.506 -0.156 20 0 FBADMP CO[C@]1(CO)CCC[NH+](CCOCC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391487 485312844 /nfs/dbraw/zinc/31/28/44/485312844.db2.gz GECJMYLNNSXBNX-HDICACEKSA-N 2 1 360.495 -0.050 20 0 FBADMP CO[C@]1(CO)CCC[NH+](CCOCC[N@@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391487 485312840 /nfs/dbraw/zinc/31/28/40/485312840.db2.gz GECJMYLNNSXBNX-HDICACEKSA-N 2 1 360.495 -0.050 20 0 FBADMP CO[C@]1(CO)CCC[N@@H+](CCOCC[NH+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391487 485312837 /nfs/dbraw/zinc/31/28/37/485312837.db2.gz GECJMYLNNSXBNX-HDICACEKSA-N 2 1 360.495 -0.050 20 0 FBADMP CO[C@]1(CO)CCC[NH+](CCOCC[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661391488 485312651 /nfs/dbraw/zinc/31/26/51/485312651.db2.gz GECJMYLNNSXBNX-QZTJIDSGSA-N 2 1 360.495 -0.050 20 0 FBADMP CO[C@@]1(CO)CCC[NH+](CCOCC[N@@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391489 485313100 /nfs/dbraw/zinc/31/31/00/485313100.db2.gz GECJMYLNNSXBNX-ROUUACIJSA-N 2 1 360.495 -0.050 20 0 FBADMP CO[C@@]1(CO)CCC[NH+](CC2(C[N@@H+]3CCC[C@](CO)(OC)C3)COC2)C1 ZINC000661393569 485313177 /nfs/dbraw/zinc/31/31/77/485313177.db2.gz TZSFHRUHNHUIJJ-OALUTQOASA-N 2 1 372.506 -0.050 20 0 FBADMP CO[C@@]1(CO)CCC[NH+](CC2(C[N@H+]3CCC[C@](CO)(OC)C3)COC2)C1 ZINC000661393569 485313173 /nfs/dbraw/zinc/31/31/73/485313173.db2.gz TZSFHRUHNHUIJJ-OALUTQOASA-N 2 1 372.506 -0.050 20 0 FBADMP CO[C@]1(CO)CCC[NH+](CC2(C[N@@H+]3CCC[C@@](CO)(OC)C3)COC2)C1 ZINC000661393570 485313205 /nfs/dbraw/zinc/31/32/05/485313205.db2.gz TZSFHRUHNHUIJJ-RTBURBONSA-N 2 1 372.506 -0.050 20 0 FBADMP CO[C@]1(CO)CCC[NH+](CC2(C[N@H+]3CCC[C@@](CO)(OC)C3)COC2)C1 ZINC000661393570 485313202 /nfs/dbraw/zinc/31/32/02/485313202.db2.gz TZSFHRUHNHUIJJ-RTBURBONSA-N 2 1 372.506 -0.050 20 0 FBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000661403472 485314739 /nfs/dbraw/zinc/31/47/39/485314739.db2.gz PPEYJUJJQWJQNZ-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000661403472 485314737 /nfs/dbraw/zinc/31/47/37/485314737.db2.gz PPEYJUJJQWJQNZ-DOTOQJQBSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000661403473 485314617 /nfs/dbraw/zinc/31/46/17/485314617.db2.gz PPEYJUJJQWJQNZ-NVXWUHKLSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@@H]2C1 ZINC000661403473 485314613 /nfs/dbraw/zinc/31/46/13/485314613.db2.gz PPEYJUJJQWJQNZ-NVXWUHKLSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@H]2C1 ZINC000661403474 485314531 /nfs/dbraw/zinc/31/45/31/485314531.db2.gz PPEYJUJJQWJQNZ-RDJZCZTQSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@H]2C1 ZINC000661403474 485314527 /nfs/dbraw/zinc/31/45/27/485314527.db2.gz PPEYJUJJQWJQNZ-RDJZCZTQSA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@H]2C1 ZINC000661403475 485313962 /nfs/dbraw/zinc/31/39/62/485313962.db2.gz PPEYJUJJQWJQNZ-WBVHZDCISA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)[C@H]2C1 ZINC000661403475 485313959 /nfs/dbraw/zinc/31/39/59/485313959.db2.gz PPEYJUJJQWJQNZ-WBVHZDCISA-N 2 1 364.490 -0.138 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403482 485314095 /nfs/dbraw/zinc/31/40/95/485314095.db2.gz QVMWAAWPPKAICO-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403482 485314090 /nfs/dbraw/zinc/31/40/90/485314090.db2.gz QVMWAAWPPKAICO-BBWFWOEESA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403483 485314062 /nfs/dbraw/zinc/31/40/62/485314062.db2.gz QVMWAAWPPKAICO-BRWVUGGUSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403483 485314058 /nfs/dbraw/zinc/31/40/58/485314058.db2.gz QVMWAAWPPKAICO-BRWVUGGUSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403484 485314500 /nfs/dbraw/zinc/31/45/00/485314500.db2.gz QVMWAAWPPKAICO-GVDBMIGSSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403484 485314497 /nfs/dbraw/zinc/31/44/97/485314497.db2.gz QVMWAAWPPKAICO-GVDBMIGSSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403486 485314717 /nfs/dbraw/zinc/31/47/17/485314717.db2.gz QVMWAAWPPKAICO-ZACQAIPSSA-N 2 1 364.490 -0.280 20 0 FBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403486 485314715 /nfs/dbraw/zinc/31/47/15/485314715.db2.gz QVMWAAWPPKAICO-ZACQAIPSSA-N 2 1 364.490 -0.280 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000661568251 485317683 /nfs/dbraw/zinc/31/76/83/485317683.db2.gz WUSJJRQPTPNWPP-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000661568251 485317680 /nfs/dbraw/zinc/31/76/80/485317680.db2.gz WUSJJRQPTPNWPP-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(C(N)=O)CCOCC2)C1 ZINC000661594477 485317420 /nfs/dbraw/zinc/31/74/20/485317420.db2.gz OOFMWIIYBUHPPO-AWEZNQCLSA-N 2 1 356.467 -0.917 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(C(N)=O)CCOCC2)C1 ZINC000661594478 485317581 /nfs/dbraw/zinc/31/75/81/485317581.db2.gz OOFMWIIYBUHPPO-CQSZACIVSA-N 2 1 356.467 -0.917 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000661662905 483682327 /nfs/dbraw/zinc/68/23/27/483682327.db2.gz DZIGRCJPCVUSOZ-UHFFFAOYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000661662905 483682326 /nfs/dbraw/zinc/68/23/26/483682326.db2.gz DZIGRCJPCVUSOZ-UHFFFAOYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000661663301 485319681 /nfs/dbraw/zinc/31/96/81/485319681.db2.gz OMXVLLCUORVYKI-HNNXBMFYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000661663301 485319677 /nfs/dbraw/zinc/31/96/77/485319677.db2.gz OMXVLLCUORVYKI-HNNXBMFYSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000661663303 485319963 /nfs/dbraw/zinc/31/99/63/485319963.db2.gz OMXVLLCUORVYKI-OAHLLOKOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000661663303 485319960 /nfs/dbraw/zinc/31/99/60/485319960.db2.gz OMXVLLCUORVYKI-OAHLLOKOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000661663369 485319954 /nfs/dbraw/zinc/31/99/54/485319954.db2.gz UAJGYKAWGUUEQH-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000661663369 485319951 /nfs/dbraw/zinc/31/99/51/485319951.db2.gz UAJGYKAWGUUEQH-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000661663370 485319877 /nfs/dbraw/zinc/31/98/77/485319877.db2.gz UAJGYKAWGUUEQH-XHSDSOJGSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000661663370 485319871 /nfs/dbraw/zinc/31/98/71/485319871.db2.gz UAJGYKAWGUUEQH-XHSDSOJGSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000661682546 485319796 /nfs/dbraw/zinc/31/97/96/485319796.db2.gz PHCGILUBSAKCBN-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000661682546 485319793 /nfs/dbraw/zinc/31/97/93/485319793.db2.gz PHCGILUBSAKCBN-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000661682546 485319789 /nfs/dbraw/zinc/31/97/89/485319789.db2.gz PHCGILUBSAKCBN-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000661682546 485319786 /nfs/dbraw/zinc/31/97/86/485319786.db2.gz PHCGILUBSAKCBN-HNNXBMFYSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000661682549 485319590 /nfs/dbraw/zinc/31/95/90/485319590.db2.gz PHCGILUBSAKCBN-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000661682549 485319585 /nfs/dbraw/zinc/31/95/85/485319585.db2.gz PHCGILUBSAKCBN-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000661682549 485319582 /nfs/dbraw/zinc/31/95/82/485319582.db2.gz PHCGILUBSAKCBN-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000661682549 485319576 /nfs/dbraw/zinc/31/95/76/485319576.db2.gz PHCGILUBSAKCBN-OAHLLOKOSA-N 2 1 354.495 -0.157 20 0 FBADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000662242727 485332837 /nfs/dbraw/zinc/33/28/37/485332837.db2.gz HLUZHBKIGGIALP-AWEZNQCLSA-N 2 1 354.476 -0.118 20 0 FBADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000662242728 485333059 /nfs/dbraw/zinc/33/30/59/485333059.db2.gz HLUZHBKIGGIALP-CQSZACIVSA-N 2 1 354.476 -0.118 20 0 FBADMP NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662260247 485333037 /nfs/dbraw/zinc/33/30/37/485333037.db2.gz JHSYDMWMJCNGFZ-HNNXBMFYSA-N 2 1 366.487 -0.023 20 0 FBADMP NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662260248 485333158 /nfs/dbraw/zinc/33/31/58/485333158.db2.gz JHSYDMWMJCNGFZ-OAHLLOKOSA-N 2 1 366.487 -0.023 20 0 FBADMP COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261328 485334091 /nfs/dbraw/zinc/33/40/91/485334091.db2.gz HVFWKRLQMNTNPJ-CVEARBPZSA-N 2 1 354.495 -0.334 20 0 FBADMP COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261329 485334699 /nfs/dbraw/zinc/33/46/99/485334699.db2.gz HVFWKRLQMNTNPJ-HOTGVXAUSA-N 2 1 354.495 -0.334 20 0 FBADMP COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261330 485334636 /nfs/dbraw/zinc/33/46/36/485334636.db2.gz HVFWKRLQMNTNPJ-HZPDHXFCSA-N 2 1 354.495 -0.334 20 0 FBADMP COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261331 485334102 /nfs/dbraw/zinc/33/41/02/485334102.db2.gz HVFWKRLQMNTNPJ-JKSUJKDBSA-N 2 1 354.495 -0.334 20 0 FBADMP Cn1c[nH+]cc1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000662268187 485334545 /nfs/dbraw/zinc/33/45/45/485334545.db2.gz RTIYLEUJAZXLDE-INIZCTEOSA-N 2 1 360.462 -0.386 20 0 FBADMP Cn1c[nH+]cc1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000662268188 485334816 /nfs/dbraw/zinc/33/48/16/485334816.db2.gz RTIYLEUJAZXLDE-MRXNPFEDSA-N 2 1 360.462 -0.386 20 0 FBADMP O=S(=O)([C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278737 485334278 /nfs/dbraw/zinc/33/42/78/485334278.db2.gz LTCVXWREVMYHOZ-CABCVRRESA-N 2 1 359.492 -0.366 20 0 FBADMP O=S(=O)([C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278738 485334653 /nfs/dbraw/zinc/33/46/53/485334653.db2.gz LTCVXWREVMYHOZ-GJZGRUSLSA-N 2 1 359.492 -0.366 20 0 FBADMP O=S(=O)([C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278739 485334180 /nfs/dbraw/zinc/33/41/80/485334180.db2.gz LTCVXWREVMYHOZ-HUUCEWRRSA-N 2 1 359.492 -0.366 20 0 FBADMP O=S(=O)([C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278740 485334842 /nfs/dbraw/zinc/33/48/42/485334842.db2.gz LTCVXWREVMYHOZ-LSDHHAIUSA-N 2 1 359.492 -0.366 20 0 FBADMP c1nc(N2CCOCC2)cc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662279604 485334027 /nfs/dbraw/zinc/33/40/27/485334027.db2.gz WECAJUDXLBBQSM-INIZCTEOSA-N 2 1 374.489 -0.044 20 0 FBADMP c1nc(N2CCOCC2)cc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662279606 485334583 /nfs/dbraw/zinc/33/45/83/485334583.db2.gz WECAJUDXLBBQSM-MRXNPFEDSA-N 2 1 374.489 -0.044 20 0 FBADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)c1 ZINC000662287487 485334235 /nfs/dbraw/zinc/33/42/35/485334235.db2.gz AWXKQUDHJHAYBU-GOSISDBHSA-N 2 1 364.490 -0.747 20 0 FBADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)c1 ZINC000662287488 485334060 /nfs/dbraw/zinc/33/40/60/485334060.db2.gz AWXKQUDHJHAYBU-SFHVURJKSA-N 2 1 364.490 -0.747 20 0 FBADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662288974 485335607 /nfs/dbraw/zinc/33/56/07/485335607.db2.gz WSSWQBUKRDIRGZ-GOSISDBHSA-N 2 1 364.490 -0.747 20 0 FBADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662288976 485335428 /nfs/dbraw/zinc/33/54/28/485335428.db2.gz WSSWQBUKRDIRGZ-SFHVURJKSA-N 2 1 364.490 -0.747 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000662293090 485335452 /nfs/dbraw/zinc/33/54/52/485335452.db2.gz JQKTWQWXLXBZBL-CYBMUJFWSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000662293093 485335576 /nfs/dbraw/zinc/33/55/76/485335576.db2.gz JQKTWQWXLXBZBL-ZDUSSCGKSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000662293309 485335528 /nfs/dbraw/zinc/33/55/28/485335528.db2.gz QHOJVPNYNGMXRA-CYBMUJFWSA-N 2 1 363.462 -0.440 20 0 FBADMP Cn1c(N)c(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000662293310 485335840 /nfs/dbraw/zinc/33/58/40/485335840.db2.gz QHOJVPNYNGMXRA-ZDUSSCGKSA-N 2 1 363.462 -0.440 20 0 FBADMP O=C(CC[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662297703 485335254 /nfs/dbraw/zinc/33/52/54/485335254.db2.gz ISTNDGMPPPJBHU-CALCHBBNSA-N 2 1 370.453 -0.075 20 0 FBADMP C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[NH3+] ZINC000662314381 485336704 /nfs/dbraw/zinc/33/67/04/485336704.db2.gz CHYZWAFPJYQUEV-VXGBXAGGSA-N 2 1 351.451 -0.312 20 0 FBADMP O=C(C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662334645 485336197 /nfs/dbraw/zinc/33/61/97/485336197.db2.gz BFYGHEOIYKXLGD-HNNXBMFYSA-N 2 1 362.478 -0.143 20 0 FBADMP O=C(C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662334645 485336193 /nfs/dbraw/zinc/33/61/93/485336193.db2.gz BFYGHEOIYKXLGD-HNNXBMFYSA-N 2 1 362.478 -0.143 20 0 FBADMP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662334647 485336077 /nfs/dbraw/zinc/33/60/77/485336077.db2.gz BFYGHEOIYKXLGD-OAHLLOKOSA-N 2 1 362.478 -0.143 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662334647 485336075 /nfs/dbraw/zinc/33/60/75/485336075.db2.gz BFYGHEOIYKXLGD-OAHLLOKOSA-N 2 1 362.478 -0.143 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337661 485336101 /nfs/dbraw/zinc/33/61/01/485336101.db2.gz MSHFIUOILVTLEY-AWEZNQCLSA-N 2 1 370.523 -0.062 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337661 485336096 /nfs/dbraw/zinc/33/60/96/485336096.db2.gz MSHFIUOILVTLEY-AWEZNQCLSA-N 2 1 370.523 -0.062 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337662 485336365 /nfs/dbraw/zinc/33/63/65/485336365.db2.gz MSHFIUOILVTLEY-CQSZACIVSA-N 2 1 370.523 -0.062 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337662 485336361 /nfs/dbraw/zinc/33/63/61/485336361.db2.gz MSHFIUOILVTLEY-CQSZACIVSA-N 2 1 370.523 -0.062 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337937 485336291 /nfs/dbraw/zinc/33/62/91/485336291.db2.gz OCPPBAOBYNFRMU-CYBMUJFWSA-N 2 1 356.496 -0.452 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337937 485336288 /nfs/dbraw/zinc/33/62/88/485336288.db2.gz OCPPBAOBYNFRMU-CYBMUJFWSA-N 2 1 356.496 -0.452 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337939 485336128 /nfs/dbraw/zinc/33/61/28/485336128.db2.gz OCPPBAOBYNFRMU-ZDUSSCGKSA-N 2 1 356.496 -0.452 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337939 485336123 /nfs/dbraw/zinc/33/61/23/485336123.db2.gz OCPPBAOBYNFRMU-ZDUSSCGKSA-N 2 1 356.496 -0.452 20 0 FBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337974 485336689 /nfs/dbraw/zinc/33/66/89/485336689.db2.gz OMRZSMQSYDZYBJ-CYBMUJFWSA-N 2 1 361.450 -0.450 20 0 FBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337976 485336310 /nfs/dbraw/zinc/33/63/10/485336310.db2.gz OMRZSMQSYDZYBJ-ZDUSSCGKSA-N 2 1 361.450 -0.450 20 0 FBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338440 485336656 /nfs/dbraw/zinc/33/66/56/485336656.db2.gz RHHJPFLZLHXKRY-AWEZNQCLSA-N 2 1 370.523 -0.062 20 0 FBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338441 485336503 /nfs/dbraw/zinc/33/65/03/485336503.db2.gz RHHJPFLZLHXKRY-CQSZACIVSA-N 2 1 370.523 -0.062 20 0 FBADMP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662376995 485337403 /nfs/dbraw/zinc/33/74/03/485337403.db2.gz YFUAKOJONARMQJ-HNNXBMFYSA-N 2 1 350.467 -0.143 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662390194 485336939 /nfs/dbraw/zinc/33/69/39/485336939.db2.gz XXKOSHMJGDNEGY-UHFFFAOYSA-N 2 1 371.445 -0.446 20 0 FBADMP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Br ZINC000662401435 485337790 /nfs/dbraw/zinc/33/77/90/485337790.db2.gz NDTJSWJXSRCFIL-CYBMUJFWSA-N 2 1 355.236 -0.003 20 0 FBADMP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Br ZINC000662401436 483495844 /nfs/dbraw/zinc/49/58/44/483495844.db2.gz NDTJSWJXSRCFIL-ZDUSSCGKSA-N 2 1 355.236 -0.003 20 0 FBADMP [NH3+]CCn1cc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)nn1 ZINC000662408208 485338107 /nfs/dbraw/zinc/33/81/07/485338107.db2.gz OCRPKOWXMCXVBN-UHFFFAOYSA-N 2 1 364.372 -0.036 20 0 FBADMP [NH3+]CCn1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000662427328 485337914 /nfs/dbraw/zinc/33/79/14/485337914.db2.gz GAWSTGVYGUJISB-UHFFFAOYSA-N 2 1 358.450 -0.426 20 0 FBADMP [NH3+]CCn1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000662429548 485337547 /nfs/dbraw/zinc/33/75/47/485337547.db2.gz OKMMJEREQBAMQB-UHFFFAOYSA-N 2 1 371.445 -0.689 20 0 FBADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577195 485340057 /nfs/dbraw/zinc/34/00/57/485340057.db2.gz FTURBNQCVGLTQL-UHFFFAOYSA-N 2 1 370.500 -0.547 20 0 FBADMP [NH3+]CCn1cc(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)nn1 ZINC000662577656 483904994 /nfs/dbraw/zinc/90/49/94/483904994.db2.gz YFLJQKMYKOPLLH-UHFFFAOYSA-N 2 1 357.462 -0.040 20 0 FBADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578192 483905720 /nfs/dbraw/zinc/90/57/20/483905720.db2.gz QSCWPGUCAADRPP-INIZCTEOSA-N 2 1 364.471 -0.333 20 0 FBADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578196 483905431 /nfs/dbraw/zinc/90/54/31/483905431.db2.gz QSCWPGUCAADRPP-MRXNPFEDSA-N 2 1 364.471 -0.333 20 0 FBADMP O=C(c1cccc2c1C[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578894 483905668 /nfs/dbraw/zinc/90/56/68/483905668.db2.gz XUFJZISUKVPCQP-UHFFFAOYSA-N 2 1 350.444 -0.651 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662679645 483908156 /nfs/dbraw/zinc/90/81/56/483908156.db2.gz RVTGXBAUTMQDLA-AWEZNQCLSA-N 2 1 363.466 -0.513 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662679648 483907660 /nfs/dbraw/zinc/90/76/60/483907660.db2.gz RVTGXBAUTMQDLA-CQSZACIVSA-N 2 1 363.466 -0.513 20 0 FBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662704801 483908832 /nfs/dbraw/zinc/90/88/32/483908832.db2.gz HWXXWCQPVRFRIV-RBSFLKMASA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662704802 483909338 /nfs/dbraw/zinc/90/93/38/483909338.db2.gz HWXXWCQPVRFRIV-RRFJBIMHSA-N 2 1 350.463 -0.386 20 0 FBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662707199 483909398 /nfs/dbraw/zinc/90/93/98/483909398.db2.gz DDBKVXCEUIUYOE-DLBZAZTESA-N 2 1 360.458 -0.189 20 0 FBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662707201 483908787 /nfs/dbraw/zinc/90/87/87/483908787.db2.gz DDBKVXCEUIUYOE-IAGOWNOFSA-N 2 1 360.458 -0.189 20 0 FBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662707202 483908977 /nfs/dbraw/zinc/90/89/77/483908977.db2.gz DDBKVXCEUIUYOE-IRXDYDNUSA-N 2 1 360.458 -0.189 20 0 FBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662707204 483909094 /nfs/dbraw/zinc/90/90/94/483909094.db2.gz DDBKVXCEUIUYOE-SJORKVTESA-N 2 1 360.458 -0.189 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662741407 483911137 /nfs/dbraw/zinc/91/11/37/483911137.db2.gz FCBHFHXJRSPVJF-INIZCTEOSA-N 2 1 357.462 -0.217 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662741407 483911134 /nfs/dbraw/zinc/91/11/34/483911134.db2.gz FCBHFHXJRSPVJF-INIZCTEOSA-N 2 1 357.462 -0.217 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662741409 483910457 /nfs/dbraw/zinc/91/04/57/483910457.db2.gz FCBHFHXJRSPVJF-MRXNPFEDSA-N 2 1 357.462 -0.217 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662741409 483910455 /nfs/dbraw/zinc/91/04/55/483910455.db2.gz FCBHFHXJRSPVJF-MRXNPFEDSA-N 2 1 357.462 -0.217 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662743415 483911163 /nfs/dbraw/zinc/91/11/63/483911163.db2.gz IPUBBHRQUDJBDF-MSOLQXFVSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662743415 483911158 /nfs/dbraw/zinc/91/11/58/483911158.db2.gz IPUBBHRQUDJBDF-MSOLQXFVSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662743416 483910628 /nfs/dbraw/zinc/91/06/28/483910628.db2.gz IPUBBHRQUDJBDF-QZTJIDSGSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662743416 483910623 /nfs/dbraw/zinc/91/06/23/483910623.db2.gz IPUBBHRQUDJBDF-QZTJIDSGSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662743417 483910281 /nfs/dbraw/zinc/91/02/81/483910281.db2.gz IPUBBHRQUDJBDF-ROUUACIJSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662743417 483910278 /nfs/dbraw/zinc/91/02/78/483910278.db2.gz IPUBBHRQUDJBDF-ROUUACIJSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662743418 483910812 /nfs/dbraw/zinc/91/08/12/483910812.db2.gz IPUBBHRQUDJBDF-ZWKOTPCHSA-N 2 1 373.501 -0.213 20 0 FBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662743418 483910804 /nfs/dbraw/zinc/91/08/04/483910804.db2.gz IPUBBHRQUDJBDF-ZWKOTPCHSA-N 2 1 373.501 -0.213 20 0 FBADMP [NH3+][C@H]1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000662788651 483913750 /nfs/dbraw/zinc/91/37/50/483913750.db2.gz QDDUKVQDURAZKX-WKILWMFISA-N 2 1 352.479 -0.199 20 0 FBADMP CC(C)[NH2+]CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662789630 483912941 /nfs/dbraw/zinc/91/29/41/483912941.db2.gz AUUJGNHPAWBOKJ-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662790386 483913361 /nfs/dbraw/zinc/91/33/61/483913361.db2.gz IYNMOOOHKXLHTN-SJORKVTESA-N 2 1 365.522 -0.189 20 0 FBADMP CN(C(=O)CC1([NH3+])CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662790841 483913766 /nfs/dbraw/zinc/91/37/66/483913766.db2.gz MUCWWEYPOFASJM-UHFFFAOYSA-N 2 1 351.495 -0.435 20 0 FBADMP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662790875 483913727 /nfs/dbraw/zinc/91/37/27/483913727.db2.gz NSAVFQAWQUZTLF-SHTZXODSSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@H]([NH2+]C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791193 483912901 /nfs/dbraw/zinc/91/29/01/483912901.db2.gz OFOVJSSYIYKNOC-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[C@@H]([NH2+]C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791194 483913098 /nfs/dbraw/zinc/91/30/98/483913098.db2.gz OFOVJSSYIYKNOC-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP O=C(c1cccc2c1CC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662818009 483914868 /nfs/dbraw/zinc/91/48/68/483914868.db2.gz ZTJOCVGRBQZKTF-UHFFFAOYSA-N 2 1 364.471 -0.608 20 0 FBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857585 483915708 /nfs/dbraw/zinc/91/57/08/483915708.db2.gz BKLUPHDGPVQIIK-DLBZAZTESA-N 2 1 360.458 -0.262 20 0 FBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857586 483916272 /nfs/dbraw/zinc/91/62/72/483916272.db2.gz BKLUPHDGPVQIIK-IAGOWNOFSA-N 2 1 360.458 -0.262 20 0 FBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857588 483915526 /nfs/dbraw/zinc/91/55/26/483915526.db2.gz BKLUPHDGPVQIIK-IRXDYDNUSA-N 2 1 360.458 -0.262 20 0 FBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857590 483916078 /nfs/dbraw/zinc/91/60/78/483916078.db2.gz BKLUPHDGPVQIIK-SJORKVTESA-N 2 1 360.458 -0.262 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859742 483916557 /nfs/dbraw/zinc/91/65/57/483916557.db2.gz NZFVXGOAQBIARM-AEFFLSMTSA-N 2 1 362.474 -0.031 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859743 483916116 /nfs/dbraw/zinc/91/61/16/483916116.db2.gz NZFVXGOAQBIARM-WMZOPIPTSA-N 2 1 362.474 -0.031 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000662875819 483915599 /nfs/dbraw/zinc/91/55/99/483915599.db2.gz NFMXTVPIWWXDOA-CSLYMUCUSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000662875820 483916547 /nfs/dbraw/zinc/91/65/47/483916547.db2.gz NFMXTVPIWWXDOA-SWKXRBFHSA-N 2 1 350.463 -0.351 20 0 FBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899389 483919131 /nfs/dbraw/zinc/91/91/31/483919131.db2.gz CKCLHXICNCTXCN-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899389 483919126 /nfs/dbraw/zinc/91/91/26/483919126.db2.gz CKCLHXICNCTXCN-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899391 483919498 /nfs/dbraw/zinc/91/94/98/483919498.db2.gz CKCLHXICNCTXCN-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899391 483919494 /nfs/dbraw/zinc/91/94/94/483919494.db2.gz CKCLHXICNCTXCN-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899393 483919425 /nfs/dbraw/zinc/91/94/25/483919425.db2.gz CKCLHXICNCTXCN-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899393 483919413 /nfs/dbraw/zinc/91/94/13/483919413.db2.gz CKCLHXICNCTXCN-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899394 483918593 /nfs/dbraw/zinc/91/85/93/483918593.db2.gz CKCLHXICNCTXCN-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899394 483918589 /nfs/dbraw/zinc/91/85/89/483918589.db2.gz CKCLHXICNCTXCN-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899791 483918561 /nfs/dbraw/zinc/91/85/61/483918561.db2.gz GXNHHXSLTTZSQP-RDJZCZTQSA-N 2 1 353.511 -0.287 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899791 483918554 /nfs/dbraw/zinc/91/85/54/483918554.db2.gz GXNHHXSLTTZSQP-RDJZCZTQSA-N 2 1 353.511 -0.287 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899792 483919303 /nfs/dbraw/zinc/91/93/03/483919303.db2.gz GXNHHXSLTTZSQP-WBVHZDCISA-N 2 1 353.511 -0.287 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899792 483919297 /nfs/dbraw/zinc/91/92/97/483919297.db2.gz GXNHHXSLTTZSQP-WBVHZDCISA-N 2 1 353.511 -0.287 20 0 FBADMP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900744 483918402 /nfs/dbraw/zinc/91/84/02/483918402.db2.gz PNSJLJFLIYRBIJ-DLBZAZTESA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900744 483918397 /nfs/dbraw/zinc/91/83/97/483918397.db2.gz PNSJLJFLIYRBIJ-DLBZAZTESA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900745 483918759 /nfs/dbraw/zinc/91/87/59/483918759.db2.gz PNSJLJFLIYRBIJ-IAGOWNOFSA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900745 483918753 /nfs/dbraw/zinc/91/87/53/483918753.db2.gz PNSJLJFLIYRBIJ-IAGOWNOFSA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900746 483918502 /nfs/dbraw/zinc/91/85/02/483918502.db2.gz PNSJLJFLIYRBIJ-IRXDYDNUSA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900746 483918498 /nfs/dbraw/zinc/91/84/98/483918498.db2.gz PNSJLJFLIYRBIJ-IRXDYDNUSA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900747 483918679 /nfs/dbraw/zinc/91/86/79/483918679.db2.gz PNSJLJFLIYRBIJ-SJORKVTESA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900747 483918672 /nfs/dbraw/zinc/91/86/72/483918672.db2.gz PNSJLJFLIYRBIJ-SJORKVTESA-N 2 1 365.522 -0.047 20 0 FBADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900903 483918161 /nfs/dbraw/zinc/91/81/61/483918161.db2.gz PZNODPOEUGMGON-DLBZAZTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900903 483918153 /nfs/dbraw/zinc/91/81/53/483918153.db2.gz PZNODPOEUGMGON-DLBZAZTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900907 483919249 /nfs/dbraw/zinc/91/92/49/483919249.db2.gz PZNODPOEUGMGON-IAGOWNOFSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900907 483919233 /nfs/dbraw/zinc/91/92/33/483919233.db2.gz PZNODPOEUGMGON-IAGOWNOFSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900909 483918303 /nfs/dbraw/zinc/91/83/03/483918303.db2.gz PZNODPOEUGMGON-IRXDYDNUSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900909 483918298 /nfs/dbraw/zinc/91/82/98/483918298.db2.gz PZNODPOEUGMGON-IRXDYDNUSA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900912 483918830 /nfs/dbraw/zinc/91/88/30/483918830.db2.gz PZNODPOEUGMGON-SJORKVTESA-N 2 1 365.522 -0.128 20 0 FBADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900912 483918822 /nfs/dbraw/zinc/91/88/22/483918822.db2.gz PZNODPOEUGMGON-SJORKVTESA-N 2 1 365.522 -0.128 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662912541 483924030 /nfs/dbraw/zinc/92/40/30/483924030.db2.gz KFYKVIDSKZBLNB-FMKPAKJESA-N 2 1 352.479 -0.155 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000662924058 483925679 /nfs/dbraw/zinc/92/56/79/483925679.db2.gz YDXYVCOLWLZPQI-CSLYMUCUSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000662924060 483926595 /nfs/dbraw/zinc/92/65/95/483926595.db2.gz YDXYVCOLWLZPQI-SWKXRBFHSA-N 2 1 350.463 -0.432 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662925553 483928569 /nfs/dbraw/zinc/92/85/69/483928569.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 2 1 357.474 -0.632 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662925553 483928567 /nfs/dbraw/zinc/92/85/67/483928567.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 2 1 357.474 -0.632 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662925895 483928506 /nfs/dbraw/zinc/92/85/06/483928506.db2.gz DVTCMGPMGXXJMG-UHFFFAOYSA-N 2 1 351.495 -0.580 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662925895 483928502 /nfs/dbraw/zinc/92/85/02/483928502.db2.gz DVTCMGPMGXXJMG-UHFFFAOYSA-N 2 1 351.495 -0.580 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000662926863 483927274 /nfs/dbraw/zinc/92/72/74/483927274.db2.gz SWNZRSSUJPEPIJ-UHFFFAOYSA-N 2 1 367.494 -0.805 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662927914 483928549 /nfs/dbraw/zinc/92/85/49/483928549.db2.gz INSCSCBMMYXSAF-UHFFFAOYSA-N 2 1 368.400 -0.093 20 0 FBADMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662929680 483928411 /nfs/dbraw/zinc/92/84/11/483928411.db2.gz DXGHSPDRILSCPX-NLGTXKQRSA-N 2 1 363.506 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662929680 483928404 /nfs/dbraw/zinc/92/84/04/483928404.db2.gz DXGHSPDRILSCPX-NLGTXKQRSA-N 2 1 363.506 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662929681 483927297 /nfs/dbraw/zinc/92/72/97/483927297.db2.gz DXGHSPDRILSCPX-RCDNUKIMSA-N 2 1 363.506 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662929681 483927290 /nfs/dbraw/zinc/92/72/90/483927290.db2.gz DXGHSPDRILSCPX-RCDNUKIMSA-N 2 1 363.506 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662930022 483928528 /nfs/dbraw/zinc/92/85/28/483928528.db2.gz LHVNKDZOGGZTBT-ARFHVFGLSA-N 2 1 369.485 -0.489 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662930022 483928523 /nfs/dbraw/zinc/92/85/23/483928523.db2.gz LHVNKDZOGGZTBT-ARFHVFGLSA-N 2 1 369.485 -0.489 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662930023 483927770 /nfs/dbraw/zinc/92/77/70/483927770.db2.gz LHVNKDZOGGZTBT-BZUAXINKSA-N 2 1 369.485 -0.489 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662930023 483927759 /nfs/dbraw/zinc/92/77/59/483927759.db2.gz LHVNKDZOGGZTBT-BZUAXINKSA-N 2 1 369.485 -0.489 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930245 483928462 /nfs/dbraw/zinc/92/84/62/483928462.db2.gz NGTWZEJIYUPZGE-IYBDPMFKSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662930468 483927240 /nfs/dbraw/zinc/92/72/40/483927240.db2.gz QTWQLSRFFLYQSM-HNNXBMFYSA-N 2 1 353.511 -0.191 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662930468 483927236 /nfs/dbraw/zinc/92/72/36/483927236.db2.gz QTWQLSRFFLYQSM-HNNXBMFYSA-N 2 1 353.511 -0.191 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662930470 483928204 /nfs/dbraw/zinc/92/82/04/483928204.db2.gz QTWQLSRFFLYQSM-OAHLLOKOSA-N 2 1 353.511 -0.191 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662930470 483928197 /nfs/dbraw/zinc/92/81/97/483928197.db2.gz QTWQLSRFFLYQSM-OAHLLOKOSA-N 2 1 353.511 -0.191 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)C1 ZINC000662931184 483927473 /nfs/dbraw/zinc/92/74/73/483927473.db2.gz AFULIVFXVAXHSA-RBSFLKMASA-N 2 1 355.458 -0.878 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)C1 ZINC000662931185 483927654 /nfs/dbraw/zinc/92/76/54/483927654.db2.gz AFULIVFXVAXHSA-RRFJBIMHSA-N 2 1 355.458 -0.878 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000662931941 483928128 /nfs/dbraw/zinc/92/81/28/483928128.db2.gz JNLLGIVZFFCWHY-HNNXBMFYSA-N 2 1 353.511 -0.189 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000662931942 483928455 /nfs/dbraw/zinc/92/84/55/483928455.db2.gz JNLLGIVZFFCWHY-OAHLLOKOSA-N 2 1 353.511 -0.189 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662932695 483930067 /nfs/dbraw/zinc/93/00/67/483930067.db2.gz SVWFUIHRETVZAL-ARFHVFGLSA-N 2 1 369.485 -0.487 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662932696 483929813 /nfs/dbraw/zinc/92/98/13/483929813.db2.gz SVWFUIHRETVZAL-BZUAXINKSA-N 2 1 369.485 -0.487 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662933246 483929799 /nfs/dbraw/zinc/92/97/99/483929799.db2.gz WWOLWJOETHMRET-KOHRHEQBSA-N 2 1 363.506 -0.435 20 0 FBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662933248 483930140 /nfs/dbraw/zinc/93/01/40/483930140.db2.gz WWOLWJOETHMRET-WUJZJPHMSA-N 2 1 363.506 -0.435 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662933727 483929886 /nfs/dbraw/zinc/92/98/86/483929886.db2.gz YZESCAAOCIYNEU-UHFFFAOYSA-N 2 1 367.494 -0.804 20 0 FBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000662939065 483929762 /nfs/dbraw/zinc/92/97/62/483929762.db2.gz ASFIWUVLEPHZTE-XYPWUTKMSA-N 2 1 365.522 -0.049 20 0 FBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000662939171 483932521 /nfs/dbraw/zinc/93/25/21/483932521.db2.gz DJSJICAZAUKBPC-XYPWUTKMSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939279 483930322 /nfs/dbraw/zinc/93/03/22/483930322.db2.gz TYOAADTYGWDADZ-VNSJNIRKSA-N 2 1 350.463 -0.352 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939280 483932032 /nfs/dbraw/zinc/93/20/32/483932032.db2.gz TYOAADTYGWDADZ-WRSVWVKZSA-N 2 1 350.463 -0.352 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662939538 483931902 /nfs/dbraw/zinc/93/19/02/483931902.db2.gz AEOCAJZKLRBAPZ-ZIAGYGMSSA-N 2 1 358.458 -0.299 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662939870 483931846 /nfs/dbraw/zinc/93/18/46/483931846.db2.gz XJASOBUONDGMMZ-BPLDGKMQSA-N 2 1 356.442 -0.404 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662940077 483932393 /nfs/dbraw/zinc/93/23/93/483932393.db2.gz XJASOBUONDGMMZ-NWANDNLSSA-N 2 1 356.442 -0.404 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1CCOC ZINC000662941764 483932337 /nfs/dbraw/zinc/93/23/37/483932337.db2.gz FIXKIRSIYCVWEV-CSLYMUCUSA-N 2 1 352.479 -0.105 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1CCOC ZINC000662941764 483932332 /nfs/dbraw/zinc/93/23/32/483932332.db2.gz FIXKIRSIYCVWEV-CSLYMUCUSA-N 2 1 352.479 -0.105 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1CCOC ZINC000662941766 483932129 /nfs/dbraw/zinc/93/21/29/483932129.db2.gz FIXKIRSIYCVWEV-SWKXRBFHSA-N 2 1 352.479 -0.105 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1CCOC ZINC000662941766 483932124 /nfs/dbraw/zinc/93/21/24/483932124.db2.gz FIXKIRSIYCVWEV-SWKXRBFHSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662942575 483932145 /nfs/dbraw/zinc/93/21/45/483932145.db2.gz XMLRYCKBJRMOPD-UHFFFAOYSA-N 2 1 352.479 -0.247 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000662942701 483932304 /nfs/dbraw/zinc/93/23/04/483932304.db2.gz NUTFSFLJZVPFSD-RBSFLKMASA-N 2 1 358.458 -0.157 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000662942701 483932301 /nfs/dbraw/zinc/93/23/01/483932301.db2.gz NUTFSFLJZVPFSD-RBSFLKMASA-N 2 1 358.458 -0.157 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000662942703 483931172 /nfs/dbraw/zinc/93/11/72/483931172.db2.gz NUTFSFLJZVPFSD-RRFJBIMHSA-N 2 1 358.458 -0.157 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000662942703 483931167 /nfs/dbraw/zinc/93/11/67/483931167.db2.gz NUTFSFLJZVPFSD-RRFJBIMHSA-N 2 1 358.458 -0.157 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@H]1F ZINC000662944965 483934335 /nfs/dbraw/zinc/93/43/35/483934335.db2.gz DKBNPXQGUMUEJW-KFWWJZLASA-N 2 1 356.442 -0.403 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@H]1F ZINC000662944966 483933580 /nfs/dbraw/zinc/93/35/80/483933580.db2.gz DKBNPXQGUMUEJW-RBSFLKMASA-N 2 1 356.442 -0.403 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953060 483935161 /nfs/dbraw/zinc/93/51/61/483935161.db2.gz KEGZGXYHFRPPOS-MSOLQXFVSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953071 483937019 /nfs/dbraw/zinc/93/70/19/483937019.db2.gz KEGZGXYHFRPPOS-QZTJIDSGSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953075 483936931 /nfs/dbraw/zinc/93/69/31/483936931.db2.gz KEGZGXYHFRPPOS-ROUUACIJSA-N 2 1 374.485 -0.052 20 0 FBADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953079 483936991 /nfs/dbraw/zinc/93/69/91/483936991.db2.gz KEGZGXYHFRPPOS-ZWKOTPCHSA-N 2 1 374.485 -0.052 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662965187 483938502 /nfs/dbraw/zinc/93/85/02/483938502.db2.gz IHIRIYKMTDUFCR-IXDOHACOSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662965190 483938309 /nfs/dbraw/zinc/93/83/09/483938309.db2.gz IHIRIYKMTDUFCR-YESZJQIVSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965478 483938477 /nfs/dbraw/zinc/93/84/77/483938477.db2.gz LOWJKFOVRWSIGG-IXDOHACOSA-N 2 1 364.490 -0.498 20 0 FBADMP O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965479 483937946 /nfs/dbraw/zinc/93/79/46/483937946.db2.gz LOWJKFOVRWSIGG-YESZJQIVSA-N 2 1 364.490 -0.498 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662983241 483941552 /nfs/dbraw/zinc/94/15/52/483941552.db2.gz ITYGLPQLIPUMFH-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H](C[NH3+])C1 ZINC000662983241 483941549 /nfs/dbraw/zinc/94/15/49/483941549.db2.gz ITYGLPQLIPUMFH-CVEARBPZSA-N 2 1 355.527 -0.086 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000662983251 483942265 /nfs/dbraw/zinc/94/22/65/483942265.db2.gz IWQZJTKLZBDHEJ-OAGGEKHMSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000662983252 483941385 /nfs/dbraw/zinc/94/13/85/483941385.db2.gz IWQZJTKLZBDHEJ-PMPSAXMXSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983364 483941897 /nfs/dbraw/zinc/94/18/97/483941897.db2.gz JXQKGYSLISDUHA-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983364 483941890 /nfs/dbraw/zinc/94/18/90/483941890.db2.gz JXQKGYSLISDUHA-ILXRZTDVSA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983367 483941317 /nfs/dbraw/zinc/94/13/17/483941317.db2.gz JXQKGYSLISDUHA-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983367 483941314 /nfs/dbraw/zinc/94/13/14/483941314.db2.gz JXQKGYSLISDUHA-KFWWJZLASA-N 2 1 354.495 -0.124 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000662983997 483941304 /nfs/dbraw/zinc/94/13/04/483941304.db2.gz HPMBLOCTMORROE-ZBFHGGJFSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C[NH3+])C1 ZINC000662984703 483941103 /nfs/dbraw/zinc/94/11/03/483941103.db2.gz UEACJNAMGLDSCN-CABCVRRESA-N 2 1 367.494 -0.805 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985135 483942034 /nfs/dbraw/zinc/94/20/34/483942034.db2.gz ROQQLFZKXQYMQQ-IKGGRYGDSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985138 483942103 /nfs/dbraw/zinc/94/21/03/483942103.db2.gz ROQQLFZKXQYMQQ-ZACQAIPSSA-N 2 1 365.522 -0.189 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)[C@H](C[NH3+])C1 ZINC000662985164 483941682 /nfs/dbraw/zinc/94/16/82/483941682.db2.gz SCHVVTDUJVBYTI-ZBFHGGJFSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000662985341 483941599 /nfs/dbraw/zinc/94/15/99/483941599.db2.gz UQWFVTNTXOQRGM-CVEARBPZSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219604 483956204 /nfs/dbraw/zinc/95/62/04/483956204.db2.gz DBILKRHCXLVMNS-KBPBESRZSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219604 483956199 /nfs/dbraw/zinc/95/61/99/483956199.db2.gz DBILKRHCXLVMNS-KBPBESRZSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219605 483955578 /nfs/dbraw/zinc/95/55/78/483955578.db2.gz DBILKRHCXLVMNS-KGLIPLIRSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219605 483955574 /nfs/dbraw/zinc/95/55/74/483955574.db2.gz DBILKRHCXLVMNS-KGLIPLIRSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219606 483955914 /nfs/dbraw/zinc/95/59/14/483955914.db2.gz DBILKRHCXLVMNS-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219606 483955909 /nfs/dbraw/zinc/95/59/09/483955909.db2.gz DBILKRHCXLVMNS-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219607 483955531 /nfs/dbraw/zinc/95/55/31/483955531.db2.gz DBILKRHCXLVMNS-ZIAGYGMSSA-N 2 1 353.467 -0.247 20 0 FBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663219607 483955523 /nfs/dbraw/zinc/95/55/23/483955523.db2.gz DBILKRHCXLVMNS-ZIAGYGMSSA-N 2 1 353.467 -0.247 20 0 FBADMP OCC[NH+]1CCCN(c2cnc(N3CCC[N@H+](CCO)CC3)cn2)CC1 ZINC000663549810 483964896 /nfs/dbraw/zinc/96/48/96/483964896.db2.gz YKKHHLYKGQLPSY-UHFFFAOYSA-N 2 1 364.494 -0.515 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCC(=O)N1CCOCC1 ZINC000663552678 483964423 /nfs/dbraw/zinc/96/44/23/483964423.db2.gz FXKSFQORTSSNFH-HNNXBMFYSA-N 2 1 357.499 -0.194 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCC(=O)N1CCOCC1 ZINC000663552678 483964409 /nfs/dbraw/zinc/96/44/09/483964409.db2.gz FXKSFQORTSSNFH-HNNXBMFYSA-N 2 1 357.499 -0.194 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663578525 483966887 /nfs/dbraw/zinc/96/68/87/483966887.db2.gz DWYUHFNKAFJRIG-UHFFFAOYSA-N 2 1 370.542 -0.326 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663614554 483970130 /nfs/dbraw/zinc/97/01/30/483970130.db2.gz XKRAJUNCQUVXTJ-IBGZPJMESA-N 2 1 373.457 -0.119 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663614556 483970605 /nfs/dbraw/zinc/97/06/05/483970605.db2.gz XKRAJUNCQUVXTJ-LJQANCHMSA-N 2 1 373.457 -0.119 20 0 FBADMP CN(CCC[NH+](C)C)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000663618688 483970767 /nfs/dbraw/zinc/97/07/67/483970767.db2.gz WHATYYZUYCGRIO-UHFFFAOYSA-N 2 1 356.515 -0.667 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663619063 483970426 /nfs/dbraw/zinc/97/04/26/483970426.db2.gz YOEMGUILLKUOAW-INIZCTEOSA-N 2 1 367.494 -0.297 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663619064 483969735 /nfs/dbraw/zinc/96/97/35/483969735.db2.gz YOEMGUILLKUOAW-MRXNPFEDSA-N 2 1 367.494 -0.297 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663621462 483969781 /nfs/dbraw/zinc/96/97/81/483969781.db2.gz QZHUTSZSJVSCOW-INIZCTEOSA-N 2 1 367.494 -0.609 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663621462 483969772 /nfs/dbraw/zinc/96/97/72/483969772.db2.gz QZHUTSZSJVSCOW-INIZCTEOSA-N 2 1 367.494 -0.609 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663621470 483969439 /nfs/dbraw/zinc/96/94/39/483969439.db2.gz QZHUTSZSJVSCOW-MRXNPFEDSA-N 2 1 367.494 -0.609 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663621470 483969433 /nfs/dbraw/zinc/96/94/33/483969433.db2.gz QZHUTSZSJVSCOW-MRXNPFEDSA-N 2 1 367.494 -0.609 20 0 FBADMP C[NH+](C)CCC[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000663622994 483970159 /nfs/dbraw/zinc/97/01/59/483970159.db2.gz YVHHQDSJUDUTIM-INIZCTEOSA-N 2 1 369.510 -0.097 20 0 FBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000663622997 483970636 /nfs/dbraw/zinc/97/06/36/483970636.db2.gz YVHHQDSJUDUTIM-MRXNPFEDSA-N 2 1 369.510 -0.097 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663662306 483975990 /nfs/dbraw/zinc/97/59/90/483975990.db2.gz BMVKZYSCVQRXGD-INIZCTEOSA-N 2 1 369.510 -0.051 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663662309 483976102 /nfs/dbraw/zinc/97/61/02/483976102.db2.gz BMVKZYSCVQRXGD-MRXNPFEDSA-N 2 1 369.510 -0.051 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663663994 483975959 /nfs/dbraw/zinc/97/59/59/483975959.db2.gz NXKRFVIVYJRZMG-GJZGRUSLSA-N 2 1 355.483 -0.707 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663664982 483975487 /nfs/dbraw/zinc/97/54/87/483975487.db2.gz XLLAFDKUMUETRY-UHFFFAOYSA-N 2 1 356.515 -0.621 20 0 FBADMP C[C@H]1CN(c2cnc(N3CC[N@@H+](CCO)[C@@H](C)C3)cn2)CC[NH+]1CCO ZINC000663823267 483983488 /nfs/dbraw/zinc/98/34/88/483983488.db2.gz OGQFKMMXAIGKKJ-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(c2cnc(N3CC[N@@H+](CCO)[C@H](C)C3)cn2)CC[NH+]1CCO ZINC000663823268 483983564 /nfs/dbraw/zinc/98/35/64/483983564.db2.gz OGQFKMMXAIGKKJ-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCCS1(=O)=O ZINC000663871627 483984582 /nfs/dbraw/zinc/98/45/82/483984582.db2.gz JRUSWCVEPYFMMC-AWEZNQCLSA-N 2 1 363.528 -0.407 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCCS1(=O)=O ZINC000663871627 483984572 /nfs/dbraw/zinc/98/45/72/483984572.db2.gz JRUSWCVEPYFMMC-AWEZNQCLSA-N 2 1 363.528 -0.407 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663914938 483986692 /nfs/dbraw/zinc/98/66/92/483986692.db2.gz CEIATQCYEBRRGE-ILXRZTDVSA-N 2 1 355.483 -0.755 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663914941 483987435 /nfs/dbraw/zinc/98/74/35/483987435.db2.gz CEIATQCYEBRRGE-KKUMJFAQSA-N 2 1 355.483 -0.755 20 0 FBADMP C[C@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@H+](CCO)C[C@@H]2C)cn1 ZINC000663990679 483988590 /nfs/dbraw/zinc/98/85/90/483988590.db2.gz UNSPGQNQHGMKPG-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@H+](CCO)C[C@H]2C)cn1 ZINC000663990683 483988713 /nfs/dbraw/zinc/98/87/13/483988713.db2.gz UNSPGQNQHGMKPG-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1c1cnc(N2CC[NH+](CCO)C[C@@H]2C)cn1 ZINC000663990685 483989492 /nfs/dbraw/zinc/98/94/92/483989492.db2.gz UNSPGQNQHGMKPG-IYBDPMFKSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1c1cnc(N2CC[NH+](CCO)C[C@@H]2C)cn1 ZINC000663990685 483989486 /nfs/dbraw/zinc/98/94/86/483989486.db2.gz UNSPGQNQHGMKPG-IYBDPMFKSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@H+](CCO)C[C@@H]2C)cn1 ZINC000663990685 483989477 /nfs/dbraw/zinc/98/94/77/483989477.db2.gz UNSPGQNQHGMKPG-IYBDPMFKSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000664061194 484013825 /nfs/dbraw/zinc/01/38/25/484013825.db2.gz UFJIGHSHOHPLGB-ZDUSSCGKSA-N 2 1 365.544 -0.115 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000664061194 484013822 /nfs/dbraw/zinc/01/38/22/484013822.db2.gz UFJIGHSHOHPLGB-ZDUSSCGKSA-N 2 1 365.544 -0.115 20 0 FBADMP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000664063810 483992729 /nfs/dbraw/zinc/99/27/29/483992729.db2.gz YRYCQGVPOAUVFY-UHFFFAOYSA-N 2 1 370.542 -0.278 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664064472 483993161 /nfs/dbraw/zinc/99/31/61/483993161.db2.gz BEMNGHMMBXGPMX-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664064474 483993456 /nfs/dbraw/zinc/99/34/56/483993456.db2.gz BEMNGHMMBXGPMX-OAHLLOKOSA-N 2 1 357.499 -0.241 20 0 FBADMP Cc1c(N2CC([NH+]3CC[C@@H](O)C3)C2)ncnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000664068341 483992363 /nfs/dbraw/zinc/99/23/63/483992363.db2.gz RWHMUOVZUBFQRB-IAGOWNOFSA-N 2 1 374.489 -0.705 20 0 FBADMP Cc1c(N2CC[NH+]3C[C@H](O)C[C@H]3C2)ncnc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000664074895 483993599 /nfs/dbraw/zinc/99/35/99/483993599.db2.gz CAAOKBFIEYKIPK-MWDXBVQZSA-N 2 1 374.489 -0.705 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)CO1 ZINC000664174981 483996609 /nfs/dbraw/zinc/99/66/09/483996609.db2.gz NEPOJJUQZLJQCH-ARFHVFGLSA-N 2 1 369.510 -0.018 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)CO1 ZINC000664174982 483998044 /nfs/dbraw/zinc/99/80/44/483998044.db2.gz NEPOJJUQZLJQCH-BZUAXINKSA-N 2 1 369.510 -0.018 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)CO1 ZINC000664174983 483998151 /nfs/dbraw/zinc/99/81/51/483998151.db2.gz NEPOJJUQZLJQCH-OAGGEKHMSA-N 2 1 369.510 -0.018 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)CO1 ZINC000664174984 483997637 /nfs/dbraw/zinc/99/76/37/483997637.db2.gz NEPOJJUQZLJQCH-XHSDSOJGSA-N 2 1 369.510 -0.018 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000664176344 483998891 /nfs/dbraw/zinc/99/88/91/483998891.db2.gz VBKXYFRKZYCVBU-UHFFFAOYSA-N 2 1 370.542 -0.325 20 0 FBADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000664191736 483998793 /nfs/dbraw/zinc/99/87/93/483998793.db2.gz WPMCDCIALPEMFP-HNNXBMFYSA-N 2 1 357.499 -0.384 20 0 FBADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000664191745 483999805 /nfs/dbraw/zinc/99/98/05/483999805.db2.gz WPMCDCIALPEMFP-OAHLLOKOSA-N 2 1 357.499 -0.384 20 0 FBADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000664221467 484000690 /nfs/dbraw/zinc/00/06/90/484000690.db2.gz PYQJQYWIJYYWOH-INIZCTEOSA-N 2 1 370.542 -0.469 20 0 FBADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000664221470 484001009 /nfs/dbraw/zinc/00/10/09/484001009.db2.gz PYQJQYWIJYYWOH-MRXNPFEDSA-N 2 1 370.542 -0.469 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000664716431 484022191 /nfs/dbraw/zinc/02/21/91/484022191.db2.gz GXBZTGOLDVEKEL-ZDUSSCGKSA-N 2 1 363.528 -0.551 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000664716431 484022184 /nfs/dbraw/zinc/02/21/84/484022184.db2.gz GXBZTGOLDVEKEL-ZDUSSCGKSA-N 2 1 363.528 -0.551 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724293 484024509 /nfs/dbraw/zinc/02/45/09/484024509.db2.gz HENBPQJFUUSUPP-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724300 484024046 /nfs/dbraw/zinc/02/40/46/484024046.db2.gz HENBPQJFUUSUPP-GJZGRUSLSA-N 2 1 350.463 -0.480 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724303 484023513 /nfs/dbraw/zinc/02/35/13/484023513.db2.gz HENBPQJFUUSUPP-HUUCEWRRSA-N 2 1 350.463 -0.480 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724306 484024225 /nfs/dbraw/zinc/02/42/25/484024225.db2.gz HENBPQJFUUSUPP-LSDHHAIUSA-N 2 1 350.463 -0.480 20 0 FBADMP CN(CC(O)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000664772176 484025730 /nfs/dbraw/zinc/02/57/30/484025730.db2.gz CYWNAJJLRVREGM-YRXWBPOGSA-N 2 1 368.522 -0.843 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000664815399 484027468 /nfs/dbraw/zinc/02/74/68/484027468.db2.gz PDAJLGHQBYWVPI-UHFFFAOYSA-N 2 1 370.542 -0.326 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000664838436 484028885 /nfs/dbraw/zinc/02/88/85/484028885.db2.gz AVXSPDAHEXFYNG-HSBZDZAISA-N 2 1 363.528 -0.362 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000664838436 484028871 /nfs/dbraw/zinc/02/88/71/484028871.db2.gz AVXSPDAHEXFYNG-HSBZDZAISA-N 2 1 363.528 -0.362 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCS(=O)(=O)N(C)C ZINC000664935111 484031537 /nfs/dbraw/zinc/03/15/37/484031537.db2.gz VGOPPPPYVBDBFX-ZDUSSCGKSA-N 2 1 351.517 -0.551 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCS(=O)(=O)N(C)C ZINC000664935111 484031525 /nfs/dbraw/zinc/03/15/25/484031525.db2.gz VGOPPPPYVBDBFX-ZDUSSCGKSA-N 2 1 351.517 -0.551 20 0 FBADMP C[NH+](C)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1O ZINC000665111691 484050023 /nfs/dbraw/zinc/05/00/23/484050023.db2.gz FZKSNKSGVXLUIL-GJZGRUSLSA-N 2 1 356.467 -0.816 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCc2nnnn2CC1 ZINC000665175030 484051432 /nfs/dbraw/zinc/05/14/32/484051432.db2.gz ZJYXPGHZIPOXOK-KBPBESRZSA-N 2 1 352.487 -0.051 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCc2nnnn2CC1 ZINC000665175030 484051427 /nfs/dbraw/zinc/05/14/27/484051427.db2.gz ZJYXPGHZIPOXOK-KBPBESRZSA-N 2 1 352.487 -0.051 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000665175031 484051814 /nfs/dbraw/zinc/05/18/14/484051814.db2.gz ZJYXPGHZIPOXOK-UONOGXRCSA-N 2 1 352.487 -0.051 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000665175031 484051812 /nfs/dbraw/zinc/05/18/12/484051812.db2.gz ZJYXPGHZIPOXOK-UONOGXRCSA-N 2 1 352.487 -0.051 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665221313 484091000 /nfs/dbraw/zinc/09/10/00/484091000.db2.gz BIRDVUIDWGLQPK-KBPBESRZSA-N 2 1 363.528 -0.409 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665221313 484090994 /nfs/dbraw/zinc/09/09/94/484090994.db2.gz BIRDVUIDWGLQPK-KBPBESRZSA-N 2 1 363.528 -0.409 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665221314 484091264 /nfs/dbraw/zinc/09/12/64/484091264.db2.gz BIRDVUIDWGLQPK-UONOGXRCSA-N 2 1 363.528 -0.409 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665221314 484091255 /nfs/dbraw/zinc/09/12/55/484091255.db2.gz BIRDVUIDWGLQPK-UONOGXRCSA-N 2 1 363.528 -0.409 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000665637486 484383683 /nfs/dbraw/zinc/38/36/83/484383683.db2.gz DZDIPFIIRKTYAU-AWEZNQCLSA-N 2 1 363.528 -0.455 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000665637486 484383676 /nfs/dbraw/zinc/38/36/76/484383676.db2.gz DZDIPFIIRKTYAU-AWEZNQCLSA-N 2 1 363.528 -0.455 20 0 FBADMP COCC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665637577 484385500 /nfs/dbraw/zinc/38/55/00/484385500.db2.gz HQBAIHGCVMZCRT-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP COCC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665637577 484385496 /nfs/dbraw/zinc/38/54/96/484385496.db2.gz HQBAIHGCVMZCRT-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665637590 484385397 /nfs/dbraw/zinc/38/53/97/484385397.db2.gz IAYAGPBETXMLDM-INIZCTEOSA-N 2 1 370.542 -0.278 20 0 FBADMP CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665637590 484385389 /nfs/dbraw/zinc/38/53/89/484385389.db2.gz IAYAGPBETXMLDM-INIZCTEOSA-N 2 1 370.542 -0.278 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000665757571 483706285 /nfs/dbraw/zinc/70/62/85/483706285.db2.gz OJIXBOSBMXLCIS-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000665757571 483706282 /nfs/dbraw/zinc/70/62/82/483706282.db2.gz OJIXBOSBMXLCIS-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665758818 483711322 /nfs/dbraw/zinc/71/13/22/483711322.db2.gz QIXCXQRZIFAPCK-GOEBONIOSA-N 2 1 357.499 -0.195 20 0 FBADMP CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665758818 483711321 /nfs/dbraw/zinc/71/13/21/483711321.db2.gz QIXCXQRZIFAPCK-GOEBONIOSA-N 2 1 357.499 -0.195 20 0 FBADMP CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665758819 483711266 /nfs/dbraw/zinc/71/12/66/483711266.db2.gz QIXCXQRZIFAPCK-HOCLYGCPSA-N 2 1 357.499 -0.195 20 0 FBADMP CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665758819 483711263 /nfs/dbraw/zinc/71/12/63/483711263.db2.gz QIXCXQRZIFAPCK-HOCLYGCPSA-N 2 1 357.499 -0.195 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000665760024 483716075 /nfs/dbraw/zinc/71/60/75/483716075.db2.gz WXPIATVCYRMDPM-HNNXBMFYSA-N 2 1 370.542 -0.151 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000665760024 483716073 /nfs/dbraw/zinc/71/60/73/483716073.db2.gz WXPIATVCYRMDPM-HNNXBMFYSA-N 2 1 370.542 -0.151 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000665760404 483720195 /nfs/dbraw/zinc/72/01/95/483720195.db2.gz IOVUMMBOOXTHBM-QWHCGFSZSA-N 2 1 354.455 -0.796 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000665760404 483720194 /nfs/dbraw/zinc/72/01/94/483720194.db2.gz IOVUMMBOOXTHBM-QWHCGFSZSA-N 2 1 354.455 -0.796 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000665760406 483720672 /nfs/dbraw/zinc/72/06/72/483720672.db2.gz IOVUMMBOOXTHBM-STQMWFEESA-N 2 1 354.455 -0.796 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000665760406 483720668 /nfs/dbraw/zinc/72/06/68/483720668.db2.gz IOVUMMBOOXTHBM-STQMWFEESA-N 2 1 354.455 -0.796 20 0 FBADMP CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760432 483719929 /nfs/dbraw/zinc/71/99/29/483719929.db2.gz IUISZJYRUPWRJV-KBPBESRZSA-N 2 1 363.528 -0.409 20 0 FBADMP CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760432 483719928 /nfs/dbraw/zinc/71/99/28/483719928.db2.gz IUISZJYRUPWRJV-KBPBESRZSA-N 2 1 363.528 -0.409 20 0 FBADMP CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760435 483719781 /nfs/dbraw/zinc/71/97/81/483719781.db2.gz IUISZJYRUPWRJV-UONOGXRCSA-N 2 1 363.528 -0.409 20 0 FBADMP CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760435 483719778 /nfs/dbraw/zinc/71/97/78/483719778.db2.gz IUISZJYRUPWRJV-UONOGXRCSA-N 2 1 363.528 -0.409 20 0 FBADMP COCCN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000665760531 483720505 /nfs/dbraw/zinc/72/05/05/483720505.db2.gz JMMSJELSMLNAGN-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP COCCN1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000665760531 483720502 /nfs/dbraw/zinc/72/05/02/483720502.db2.gz JMMSJELSMLNAGN-HNNXBMFYSA-N 2 1 357.499 -0.241 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000665760533 483720305 /nfs/dbraw/zinc/72/03/05/483720305.db2.gz JPAZUDJWGAPWPU-INIZCTEOSA-N 2 1 370.542 -0.326 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000665760533 483720302 /nfs/dbraw/zinc/72/03/02/483720302.db2.gz JPAZUDJWGAPWPU-INIZCTEOSA-N 2 1 370.542 -0.326 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000665761681 659880751 /nfs/dbraw/zinc/88/07/51/659880751.db2.gz MTPZKQNAFTVLCH-KBPBESRZSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000665761681 659880746 /nfs/dbraw/zinc/88/07/46/659880746.db2.gz MTPZKQNAFTVLCH-KBPBESRZSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000665761682 659880874 /nfs/dbraw/zinc/88/08/74/659880874.db2.gz MTPZKQNAFTVLCH-UONOGXRCSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000665761682 659880871 /nfs/dbraw/zinc/88/08/71/659880871.db2.gz MTPZKQNAFTVLCH-UONOGXRCSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000665762911 483724600 /nfs/dbraw/zinc/72/46/00/483724600.db2.gz UDJFCGVWBYQEGE-ZDUSSCGKSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000665762911 483724598 /nfs/dbraw/zinc/72/45/98/483724598.db2.gz UDJFCGVWBYQEGE-ZDUSSCGKSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000665764262 659881078 /nfs/dbraw/zinc/88/10/78/659881078.db2.gz ZQIPSTXWLIONCE-KKUMJFAQSA-N 2 1 355.483 -0.443 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000665764262 659881072 /nfs/dbraw/zinc/88/10/72/659881072.db2.gz ZQIPSTXWLIONCE-KKUMJFAQSA-N 2 1 355.483 -0.443 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000666192433 484562126 /nfs/dbraw/zinc/56/21/26/484562126.db2.gz LVKRQNMRERYYOJ-ZDUSSCGKSA-N 2 1 368.486 -0.240 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000666192433 484562122 /nfs/dbraw/zinc/56/21/22/484562122.db2.gz LVKRQNMRERYYOJ-ZDUSSCGKSA-N 2 1 368.486 -0.240 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666906866 484579588 /nfs/dbraw/zinc/57/95/88/484579588.db2.gz LOJWTQHGYMZJLA-INIZCTEOSA-N 2 1 373.457 -0.151 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666906867 484579569 /nfs/dbraw/zinc/57/95/69/484579569.db2.gz LOJWTQHGYMZJLA-MRXNPFEDSA-N 2 1 373.457 -0.151 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000666946034 484580584 /nfs/dbraw/zinc/58/05/84/484580584.db2.gz PDZPQDCOWWLZBR-BFYDXBDKSA-N 2 1 352.479 -0.004 20 0 FBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000666946034 484580577 /nfs/dbraw/zinc/58/05/77/484580577.db2.gz PDZPQDCOWWLZBR-BFYDXBDKSA-N 2 1 352.479 -0.004 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000666946035 484580680 /nfs/dbraw/zinc/58/06/80/484580680.db2.gz PDZPQDCOWWLZBR-INMHGKMJSA-N 2 1 352.479 -0.004 20 0 FBADMP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000666946035 484580676 /nfs/dbraw/zinc/58/06/76/484580676.db2.gz PDZPQDCOWWLZBR-INMHGKMJSA-N 2 1 352.479 -0.004 20 0 FBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@@H]1O ZINC000666949040 484580804 /nfs/dbraw/zinc/58/08/04/484580804.db2.gz HDWNOAKEWBARTJ-CAOSSQGBSA-N 2 1 352.479 -0.054 20 0 FBADMP CC1(C)CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1CCO ZINC000667014725 484582216 /nfs/dbraw/zinc/58/22/16/484582216.db2.gz MDPMLJFHOAMCJM-UHFFFAOYSA-N 2 1 364.446 -0.122 20 0 FBADMP CC1(C)CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@@H+]1CCO ZINC000667014725 484582211 /nfs/dbraw/zinc/58/22/11/484582211.db2.gz MDPMLJFHOAMCJM-UHFFFAOYSA-N 2 1 364.446 -0.122 20 0 FBADMP CN(C)S(=O)(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054339 484582840 /nfs/dbraw/zinc/58/28/40/484582840.db2.gz FCAUILWBLGPBNR-UHFFFAOYSA-N 2 1 356.452 -0.832 20 0 FBADMP CN(C)c1nc(N)nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000667054497 484583042 /nfs/dbraw/zinc/58/30/42/484583042.db2.gz KBINHRLFKNURQQ-UHFFFAOYSA-N 2 1 357.422 -0.081 20 0 FBADMP CN1NN=C2C1=NCC[C@H]2C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054750 484582881 /nfs/dbraw/zinc/58/28/81/484582881.db2.gz UDACNBLKPZZZGF-GFCCVEGCSA-N 2 1 356.434 -0.004 20 0 FBADMP CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054751 484582973 /nfs/dbraw/zinc/58/29/73/484582973.db2.gz UDACNBLKPZZZGF-LBPRGKRZSA-N 2 1 356.434 -0.004 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000667287065 484586836 /nfs/dbraw/zinc/58/68/36/484586836.db2.gz WIRQHFSOGJJDSU-ZDUSSCGKSA-N 2 1 366.466 -0.273 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000667287065 484586832 /nfs/dbraw/zinc/58/68/32/484586832.db2.gz WIRQHFSOGJJDSU-ZDUSSCGKSA-N 2 1 366.466 -0.273 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000667812110 484595616 /nfs/dbraw/zinc/59/56/16/484595616.db2.gz DTFXVVLGHBLJLL-DLBZAZTESA-N 2 1 367.494 -0.276 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000667812111 484595716 /nfs/dbraw/zinc/59/57/16/484595716.db2.gz DTFXVVLGHBLJLL-IAGOWNOFSA-N 2 1 367.494 -0.276 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000667812112 484596768 /nfs/dbraw/zinc/59/67/68/484596768.db2.gz DTFXVVLGHBLJLL-IRXDYDNUSA-N 2 1 367.494 -0.276 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000667812113 484596483 /nfs/dbraw/zinc/59/64/83/484596483.db2.gz DTFXVVLGHBLJLL-SJORKVTESA-N 2 1 367.494 -0.276 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)N(C)C ZINC000667812271 484596717 /nfs/dbraw/zinc/59/67/17/484596717.db2.gz ILZWCVMKENLQDK-AWEZNQCLSA-N 2 1 363.528 -0.743 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)N(C)C ZINC000667812272 484596990 /nfs/dbraw/zinc/59/69/90/484596990.db2.gz ILZWCVMKENLQDK-CQSZACIVSA-N 2 1 363.528 -0.743 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667812369 484597012 /nfs/dbraw/zinc/59/70/12/484597012.db2.gz KTBRMSHFGOSFQH-QBPKDAKJSA-N 2 1 355.479 -0.726 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667812370 484596943 /nfs/dbraw/zinc/59/69/43/484596943.db2.gz KTBRMSHFGOSFQH-YLFCFFPRSA-N 2 1 355.479 -0.726 20 0 FBADMP CC1(C)CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@H+]1CCO ZINC000667822947 484596517 /nfs/dbraw/zinc/59/65/17/484596517.db2.gz LQTVUSANWVAPKU-UHFFFAOYSA-N 2 1 363.466 -0.193 20 0 FBADMP CC1(C)CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@@H+]1CCO ZINC000667822947 484596515 /nfs/dbraw/zinc/59/65/15/484596515.db2.gz LQTVUSANWVAPKU-UHFFFAOYSA-N 2 1 363.466 -0.193 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330180 483521852 /nfs/dbraw/zinc/52/18/52/483521852.db2.gz NCHFXNFGAIWZHS-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330180 483521846 /nfs/dbraw/zinc/52/18/46/483521846.db2.gz NCHFXNFGAIWZHS-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330180 483521839 /nfs/dbraw/zinc/52/18/39/483521839.db2.gz NCHFXNFGAIWZHS-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330181 483521117 /nfs/dbraw/zinc/52/11/17/483521117.db2.gz NCHFXNFGAIWZHS-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330181 483521111 /nfs/dbraw/zinc/52/11/11/483521111.db2.gz NCHFXNFGAIWZHS-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330181 483521102 /nfs/dbraw/zinc/52/11/02/483521102.db2.gz NCHFXNFGAIWZHS-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330182 483520948 /nfs/dbraw/zinc/52/09/48/483520948.db2.gz NCHFXNFGAIWZHS-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330182 483520943 /nfs/dbraw/zinc/52/09/43/483520943.db2.gz NCHFXNFGAIWZHS-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330182 483520939 /nfs/dbraw/zinc/52/09/39/483520939.db2.gz NCHFXNFGAIWZHS-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330183 483522043 /nfs/dbraw/zinc/52/20/43/483522043.db2.gz NCHFXNFGAIWZHS-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330183 483522036 /nfs/dbraw/zinc/52/20/36/483522036.db2.gz NCHFXNFGAIWZHS-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)C3)O2)C1 ZINC000668330183 483522029 /nfs/dbraw/zinc/52/20/29/483522029.db2.gz NCHFXNFGAIWZHS-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000668333499 483518643 /nfs/dbraw/zinc/51/86/43/483518643.db2.gz RZXSVWZTYKRMBD-INIZCTEOSA-N 2 1 370.494 -0.606 20 0 FBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000668333500 483517888 /nfs/dbraw/zinc/51/78/88/483517888.db2.gz RZXSVWZTYKRMBD-MRXNPFEDSA-N 2 1 370.494 -0.606 20 0 FBADMP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000668361693 483522988 /nfs/dbraw/zinc/52/29/88/483522988.db2.gz HYPKHYZNHVNWDO-HZPDHXFCSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(NCCn1ccnc1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000668377129 483562032 /nfs/dbraw/zinc/56/20/32/483562032.db2.gz XGGQDZNZNDQSCM-HUUCEWRRSA-N 2 1 361.446 -0.241 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435620 483682602 /nfs/dbraw/zinc/68/26/02/483682602.db2.gz KHRHBWDNFWJYMK-DLBZAZTESA-N 2 1 367.538 -0.025 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435621 483682636 /nfs/dbraw/zinc/68/26/36/483682636.db2.gz KHRHBWDNFWJYMK-IAGOWNOFSA-N 2 1 367.538 -0.025 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435622 483683146 /nfs/dbraw/zinc/68/31/46/483683146.db2.gz KHRHBWDNFWJYMK-IRXDYDNUSA-N 2 1 367.538 -0.025 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435623 483683226 /nfs/dbraw/zinc/68/32/26/483683226.db2.gz KHRHBWDNFWJYMK-SJORKVTESA-N 2 1 367.538 -0.025 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668465112 660017187 /nfs/dbraw/zinc/01/71/87/660017187.db2.gz UJTRLODQWDQSBQ-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668465112 660017186 /nfs/dbraw/zinc/01/71/86/660017186.db2.gz UJTRLODQWDQSBQ-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668465112 660017184 /nfs/dbraw/zinc/01/71/84/660017184.db2.gz UJTRLODQWDQSBQ-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668465113 660017247 /nfs/dbraw/zinc/01/72/47/660017247.db2.gz UJTRLODQWDQSBQ-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668465113 660017244 /nfs/dbraw/zinc/01/72/44/660017244.db2.gz UJTRLODQWDQSBQ-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668465113 660017242 /nfs/dbraw/zinc/01/72/42/660017242.db2.gz UJTRLODQWDQSBQ-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000668465812 660017666 /nfs/dbraw/zinc/01/76/66/660017666.db2.gz KVJJCPUICUWPEX-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000668465812 660017665 /nfs/dbraw/zinc/01/76/65/660017665.db2.gz KVJJCPUICUWPEX-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000668465812 660017664 /nfs/dbraw/zinc/01/76/64/660017664.db2.gz KVJJCPUICUWPEX-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000668465813 660017750 /nfs/dbraw/zinc/01/77/50/660017750.db2.gz KVJJCPUICUWPEX-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000668465813 660017748 /nfs/dbraw/zinc/01/77/48/660017748.db2.gz KVJJCPUICUWPEX-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000668465813 660017746 /nfs/dbraw/zinc/01/77/46/660017746.db2.gz KVJJCPUICUWPEX-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668489380 483734172 /nfs/dbraw/zinc/73/41/72/483734172.db2.gz DGAURRQUUMMAMR-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668489380 483734169 /nfs/dbraw/zinc/73/41/69/483734169.db2.gz DGAURRQUUMMAMR-HNNXBMFYSA-N 2 1 367.494 -0.791 20 0 FBADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668489381 483734220 /nfs/dbraw/zinc/73/42/20/483734220.db2.gz DGAURRQUUMMAMR-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668489381 483734218 /nfs/dbraw/zinc/73/42/18/483734218.db2.gz DGAURRQUUMMAMR-OAHLLOKOSA-N 2 1 367.494 -0.791 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668489386 483734234 /nfs/dbraw/zinc/73/42/34/483734234.db2.gz DHPYSRRMAPWLIQ-AWEZNQCLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668489386 483734230 /nfs/dbraw/zinc/73/42/30/483734230.db2.gz DHPYSRRMAPWLIQ-AWEZNQCLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668489387 483734291 /nfs/dbraw/zinc/73/42/91/483734291.db2.gz DHPYSRRMAPWLIQ-CQSZACIVSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668489387 483734287 /nfs/dbraw/zinc/73/42/87/483734287.db2.gz DHPYSRRMAPWLIQ-CQSZACIVSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668490856 483739139 /nfs/dbraw/zinc/73/91/39/483739139.db2.gz ZQRMBOVCDAELSL-AWEZNQCLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668490856 483739138 /nfs/dbraw/zinc/73/91/38/483739138.db2.gz ZQRMBOVCDAELSL-AWEZNQCLSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668490857 483739232 /nfs/dbraw/zinc/73/92/32/483739232.db2.gz ZQRMBOVCDAELSL-CQSZACIVSA-N 2 1 367.494 -0.744 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668490857 483739229 /nfs/dbraw/zinc/73/92/29/483739229.db2.gz ZQRMBOVCDAELSL-CQSZACIVSA-N 2 1 367.494 -0.744 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668499024 483752809 /nfs/dbraw/zinc/75/28/09/483752809.db2.gz ZVLNPJRNIVFTTC-KRWDZBQOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668499025 483752533 /nfs/dbraw/zinc/75/25/33/483752533.db2.gz ZVLNPJRNIVFTTC-QGZVFWFLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499135 483752889 /nfs/dbraw/zinc/75/28/89/483752889.db2.gz AJKQKAFLCVBPLJ-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499135 483752887 /nfs/dbraw/zinc/75/28/87/483752887.db2.gz AJKQKAFLCVBPLJ-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499135 483752884 /nfs/dbraw/zinc/75/28/84/483752884.db2.gz AJKQKAFLCVBPLJ-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499136 483752694 /nfs/dbraw/zinc/75/26/94/483752694.db2.gz AJKQKAFLCVBPLJ-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499136 483752692 /nfs/dbraw/zinc/75/26/92/483752692.db2.gz AJKQKAFLCVBPLJ-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499136 483752691 /nfs/dbraw/zinc/75/26/91/483752691.db2.gz AJKQKAFLCVBPLJ-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668499137 483752718 /nfs/dbraw/zinc/75/27/18/483752718.db2.gz AJKQKAFLCVBPLJ-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668499137 483752716 /nfs/dbraw/zinc/75/27/16/483752716.db2.gz AJKQKAFLCVBPLJ-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668499137 483752714 /nfs/dbraw/zinc/75/27/14/483752714.db2.gz AJKQKAFLCVBPLJ-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668499138 483752954 /nfs/dbraw/zinc/75/29/54/483752954.db2.gz AJKQKAFLCVBPLJ-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668499138 483752952 /nfs/dbraw/zinc/75/29/52/483752952.db2.gz AJKQKAFLCVBPLJ-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668499138 483752949 /nfs/dbraw/zinc/75/29/49/483752949.db2.gz AJKQKAFLCVBPLJ-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000668510867 483765695 /nfs/dbraw/zinc/76/56/95/483765695.db2.gz CJPNQUCIQJRWQU-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000668510867 483765693 /nfs/dbraw/zinc/76/56/93/483765693.db2.gz CJPNQUCIQJRWQU-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000668510867 483765690 /nfs/dbraw/zinc/76/56/90/483765690.db2.gz CJPNQUCIQJRWQU-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000668510868 483765822 /nfs/dbraw/zinc/76/58/22/483765822.db2.gz CJPNQUCIQJRWQU-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000668510868 483765820 /nfs/dbraw/zinc/76/58/20/483765820.db2.gz CJPNQUCIQJRWQU-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000668510868 483765818 /nfs/dbraw/zinc/76/58/18/483765818.db2.gz CJPNQUCIQJRWQU-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668512465 483767447 /nfs/dbraw/zinc/76/74/47/483767447.db2.gz RTGMFZBNZHJMGQ-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668512468 483767548 /nfs/dbraw/zinc/76/75/48/483767548.db2.gz RTGMFZBNZHJMGQ-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668521596 483780361 /nfs/dbraw/zinc/78/03/61/483780361.db2.gz FESJFIFXPZHRDV-AWEZNQCLSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668521596 483780358 /nfs/dbraw/zinc/78/03/58/483780358.db2.gz FESJFIFXPZHRDV-AWEZNQCLSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668521597 483780471 /nfs/dbraw/zinc/78/04/71/483780471.db2.gz FESJFIFXPZHRDV-CQSZACIVSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668521597 483780469 /nfs/dbraw/zinc/78/04/69/483780469.db2.gz FESJFIFXPZHRDV-CQSZACIVSA-N 2 1 367.494 -0.698 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668521602 483780199 /nfs/dbraw/zinc/78/01/99/483780199.db2.gz FHLQQQKHKLLHNF-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668521602 483780196 /nfs/dbraw/zinc/78/01/96/483780196.db2.gz FHLQQQKHKLLHNF-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668521603 483780306 /nfs/dbraw/zinc/78/03/06/483780306.db2.gz FHLQQQKHKLLHNF-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668521603 483780304 /nfs/dbraw/zinc/78/03/04/483780304.db2.gz FHLQQQKHKLLHNF-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668522373 483780913 /nfs/dbraw/zinc/78/09/13/483780913.db2.gz UIWJWDRYSVZWMQ-AWEZNQCLSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668522373 483780910 /nfs/dbraw/zinc/78/09/10/483780910.db2.gz UIWJWDRYSVZWMQ-AWEZNQCLSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668522374 483780892 /nfs/dbraw/zinc/78/08/92/483780892.db2.gz UIWJWDRYSVZWMQ-CQSZACIVSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668522374 483780889 /nfs/dbraw/zinc/78/08/89/483780889.db2.gz UIWJWDRYSVZWMQ-CQSZACIVSA-N 2 1 367.494 -0.698 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668557208 483826396 /nfs/dbraw/zinc/82/63/96/483826396.db2.gz HTVDTMFYYYXNCV-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668557208 483826393 /nfs/dbraw/zinc/82/63/93/483826393.db2.gz HTVDTMFYYYXNCV-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668557209 483826347 /nfs/dbraw/zinc/82/63/47/483826347.db2.gz HTVDTMFYYYXNCV-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668557209 483826344 /nfs/dbraw/zinc/82/63/44/483826344.db2.gz HTVDTMFYYYXNCV-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668557735 483826261 /nfs/dbraw/zinc/82/62/61/483826261.db2.gz MNLMURWPTWTGSQ-INIZCTEOSA-N 2 1 370.494 -0.560 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668557736 483826552 /nfs/dbraw/zinc/82/65/52/483826552.db2.gz MNLMURWPTWTGSQ-MRXNPFEDSA-N 2 1 370.494 -0.560 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000668558238 483826640 /nfs/dbraw/zinc/82/66/40/483826640.db2.gz FEWLPRGXNFMSTI-UHFFFAOYSA-N 2 1 363.510 -0.320 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581453 483836820 /nfs/dbraw/zinc/83/68/20/483836820.db2.gz DTZBFCSPSUKMPF-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581454 483836500 /nfs/dbraw/zinc/83/65/00/483836500.db2.gz DTZBFCSPSUKMPF-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581455 483836631 /nfs/dbraw/zinc/83/66/31/483836631.db2.gz DTZBFCSPSUKMPF-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581456 483836332 /nfs/dbraw/zinc/83/63/32/483836332.db2.gz DTZBFCSPSUKMPF-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581504 483836747 /nfs/dbraw/zinc/83/67/47/483836747.db2.gz FNWICWRHARDNJR-DOTOQJQBSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581505 483836381 /nfs/dbraw/zinc/83/63/81/483836381.db2.gz FNWICWRHARDNJR-NVXWUHKLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581506 483836609 /nfs/dbraw/zinc/83/66/09/483836609.db2.gz FNWICWRHARDNJR-RDJZCZTQSA-N 2 1 366.506 -0.108 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581507 483836751 /nfs/dbraw/zinc/83/67/51/483836751.db2.gz FNWICWRHARDNJR-WBVHZDCISA-N 2 1 366.506 -0.108 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000668581514 483836479 /nfs/dbraw/zinc/83/64/79/483836479.db2.gz FQVVFLKKTHRBLJ-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581514 483836477 /nfs/dbraw/zinc/83/64/77/483836477.db2.gz FQVVFLKKTHRBLJ-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000668581515 483836437 /nfs/dbraw/zinc/83/64/37/483836437.db2.gz FQVVFLKKTHRBLJ-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581515 483836435 /nfs/dbraw/zinc/83/64/35/483836435.db2.gz FQVVFLKKTHRBLJ-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000668581516 483836313 /nfs/dbraw/zinc/83/63/13/483836313.db2.gz FQVVFLKKTHRBLJ-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581516 483836312 /nfs/dbraw/zinc/83/63/12/483836312.db2.gz FQVVFLKKTHRBLJ-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000668581517 483836540 /nfs/dbraw/zinc/83/65/40/483836540.db2.gz FQVVFLKKTHRBLJ-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581517 483836539 /nfs/dbraw/zinc/83/65/39/483836539.db2.gz FQVVFLKKTHRBLJ-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000668581606 483836457 /nfs/dbraw/zinc/83/64/57/483836457.db2.gz HSQFMKZZVQYZST-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581606 483836454 /nfs/dbraw/zinc/83/64/54/483836454.db2.gz HSQFMKZZVQYZST-CVEARBPZSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000668581607 483836580 /nfs/dbraw/zinc/83/65/80/483836580.db2.gz HSQFMKZZVQYZST-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581607 483836578 /nfs/dbraw/zinc/83/65/78/483836578.db2.gz HSQFMKZZVQYZST-HOTGVXAUSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000668581608 483836369 /nfs/dbraw/zinc/83/63/69/483836369.db2.gz HSQFMKZZVQYZST-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581608 483836367 /nfs/dbraw/zinc/83/63/67/483836367.db2.gz HSQFMKZZVQYZST-HZPDHXFCSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000668581609 483836694 /nfs/dbraw/zinc/83/66/94/483836694.db2.gz HSQFMKZZVQYZST-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581609 483836692 /nfs/dbraw/zinc/83/66/92/483836692.db2.gz HSQFMKZZVQYZST-JKSUJKDBSA-N 2 1 367.538 -0.025 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668582074 483837068 /nfs/dbraw/zinc/83/70/68/483837068.db2.gz QZTBSKSXGKLSQD-CVEARBPZSA-N 2 1 353.511 -0.461 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668582075 483837260 /nfs/dbraw/zinc/83/72/60/483837260.db2.gz QZTBSKSXGKLSQD-HOTGVXAUSA-N 2 1 353.511 -0.461 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668582076 483837296 /nfs/dbraw/zinc/83/72/96/483837296.db2.gz QZTBSKSXGKLSQD-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668582077 483837243 /nfs/dbraw/zinc/83/72/43/483837243.db2.gz QZTBSKSXGKLSQD-JKSUJKDBSA-N 2 1 353.511 -0.461 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668582316 483837163 /nfs/dbraw/zinc/83/71/63/483837163.db2.gz VFDGECRDFUDBKP-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668582317 483837225 /nfs/dbraw/zinc/83/72/25/483837225.db2.gz VFDGECRDFUDBKP-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668582318 483837086 /nfs/dbraw/zinc/83/70/86/483837086.db2.gz VFDGECRDFUDBKP-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668582319 483836944 /nfs/dbraw/zinc/83/69/44/483836944.db2.gz VFDGECRDFUDBKP-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583002 483837877 /nfs/dbraw/zinc/83/78/77/483837877.db2.gz JTMBUQQFPNHXSQ-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583002 483837876 /nfs/dbraw/zinc/83/78/76/483837876.db2.gz JTMBUQQFPNHXSQ-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583002 483837875 /nfs/dbraw/zinc/83/78/75/483837875.db2.gz JTMBUQQFPNHXSQ-DLBZAZTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583003 483837839 /nfs/dbraw/zinc/83/78/39/483837839.db2.gz JTMBUQQFPNHXSQ-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583003 483837838 /nfs/dbraw/zinc/83/78/38/483837838.db2.gz JTMBUQQFPNHXSQ-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583003 483837837 /nfs/dbraw/zinc/83/78/37/483837837.db2.gz JTMBUQQFPNHXSQ-IAGOWNOFSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583004 483837770 /nfs/dbraw/zinc/83/77/70/483837770.db2.gz JTMBUQQFPNHXSQ-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583004 483837769 /nfs/dbraw/zinc/83/77/69/483837769.db2.gz JTMBUQQFPNHXSQ-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583004 483837767 /nfs/dbraw/zinc/83/77/67/483837767.db2.gz JTMBUQQFPNHXSQ-IRXDYDNUSA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583005 483837498 /nfs/dbraw/zinc/83/74/98/483837498.db2.gz JTMBUQQFPNHXSQ-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000668583005 483837495 /nfs/dbraw/zinc/83/74/95/483837495.db2.gz JTMBUQQFPNHXSQ-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583005 483837492 /nfs/dbraw/zinc/83/74/92/483837492.db2.gz JTMBUQQFPNHXSQ-SJORKVTESA-N 2 1 367.538 -0.023 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668584492 483837828 /nfs/dbraw/zinc/83/78/28/483837828.db2.gz YADULLDWVURNTB-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668584492 483837826 /nfs/dbraw/zinc/83/78/26/483837826.db2.gz YADULLDWVURNTB-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668584492 483837824 /nfs/dbraw/zinc/83/78/24/483837824.db2.gz YADULLDWVURNTB-DLBZAZTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668584497 483837693 /nfs/dbraw/zinc/83/76/93/483837693.db2.gz YADULLDWVURNTB-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668584497 483837690 /nfs/dbraw/zinc/83/76/90/483837690.db2.gz YADULLDWVURNTB-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668584497 483837687 /nfs/dbraw/zinc/83/76/87/483837687.db2.gz YADULLDWVURNTB-IAGOWNOFSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668584500 483837737 /nfs/dbraw/zinc/83/77/37/483837737.db2.gz YADULLDWVURNTB-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668584500 483837735 /nfs/dbraw/zinc/83/77/35/483837735.db2.gz YADULLDWVURNTB-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668584500 483837733 /nfs/dbraw/zinc/83/77/33/483837733.db2.gz YADULLDWVURNTB-IRXDYDNUSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668584504 483837811 /nfs/dbraw/zinc/83/78/11/483837811.db2.gz YADULLDWVURNTB-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668584504 483837809 /nfs/dbraw/zinc/83/78/09/483837809.db2.gz YADULLDWVURNTB-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668584504 483837807 /nfs/dbraw/zinc/83/78/07/483837807.db2.gz YADULLDWVURNTB-SJORKVTESA-N 2 1 367.538 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668585039 483837801 /nfs/dbraw/zinc/83/78/01/483837801.db2.gz HTOVCSRIGZBCJS-BBWFWOEESA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668585039 483837799 /nfs/dbraw/zinc/83/77/99/483837799.db2.gz HTOVCSRIGZBCJS-BBWFWOEESA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668585039 483837798 /nfs/dbraw/zinc/83/77/98/483837798.db2.gz HTOVCSRIGZBCJS-BBWFWOEESA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668585042 483837681 /nfs/dbraw/zinc/83/76/81/483837681.db2.gz HTOVCSRIGZBCJS-BRWVUGGUSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668585042 483837679 /nfs/dbraw/zinc/83/76/79/483837679.db2.gz HTOVCSRIGZBCJS-BRWVUGGUSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668585042 483837676 /nfs/dbraw/zinc/83/76/76/483837676.db2.gz HTOVCSRIGZBCJS-BRWVUGGUSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668585044 483837627 /nfs/dbraw/zinc/83/76/27/483837627.db2.gz HTOVCSRIGZBCJS-GVDBMIGSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668585044 483837625 /nfs/dbraw/zinc/83/76/25/483837625.db2.gz HTOVCSRIGZBCJS-GVDBMIGSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668585044 483837623 /nfs/dbraw/zinc/83/76/23/483837623.db2.gz HTOVCSRIGZBCJS-GVDBMIGSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668585047 483837526 /nfs/dbraw/zinc/83/75/26/483837526.db2.gz HTOVCSRIGZBCJS-ZACQAIPSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668585047 483837523 /nfs/dbraw/zinc/83/75/23/483837523.db2.gz HTOVCSRIGZBCJS-ZACQAIPSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668585047 483837522 /nfs/dbraw/zinc/83/75/22/483837522.db2.gz HTOVCSRIGZBCJS-ZACQAIPSSA-N 2 1 364.490 -0.213 20 0 FBADMP CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668617384 483864475 /nfs/dbraw/zinc/86/44/75/483864475.db2.gz KIFJEPWDIDLHHV-DZGCQCFKSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668617384 483864472 /nfs/dbraw/zinc/86/44/72/483864472.db2.gz KIFJEPWDIDLHHV-DZGCQCFKSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668617385 483864185 /nfs/dbraw/zinc/86/41/85/483864185.db2.gz KIFJEPWDIDLHHV-HIFRSBDPSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668617385 483864183 /nfs/dbraw/zinc/86/41/83/483864183.db2.gz KIFJEPWDIDLHHV-HIFRSBDPSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668617387 483864238 /nfs/dbraw/zinc/86/42/38/483864238.db2.gz KIFJEPWDIDLHHV-UKRRQHHQSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668617387 483864237 /nfs/dbraw/zinc/86/42/37/483864237.db2.gz KIFJEPWDIDLHHV-UKRRQHHQSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668617389 483864353 /nfs/dbraw/zinc/86/43/53/483864353.db2.gz KIFJEPWDIDLHHV-ZFWWWQNUSA-N 2 1 360.524 -0.059 20 0 FBADMP CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668617389 483864352 /nfs/dbraw/zinc/86/43/52/483864352.db2.gz KIFJEPWDIDLHHV-ZFWWWQNUSA-N 2 1 360.524 -0.059 20 0 FBADMP CN(C)S(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618757 483865963 /nfs/dbraw/zinc/86/59/63/483865963.db2.gz VCUIPCSMQCHTRT-AWEZNQCLSA-N 2 1 361.512 -0.991 20 0 FBADMP CN(C)S(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618760 483865665 /nfs/dbraw/zinc/86/56/65/483865665.db2.gz VCUIPCSMQCHTRT-CQSZACIVSA-N 2 1 361.512 -0.991 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668625280 483867884 /nfs/dbraw/zinc/86/78/84/483867884.db2.gz LKZMCCFCEISNRR-GDBMZVCRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668625281 483867713 /nfs/dbraw/zinc/86/77/13/483867713.db2.gz LKZMCCFCEISNRR-GOEBONIOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668625282 483867982 /nfs/dbraw/zinc/86/79/82/483867982.db2.gz LKZMCCFCEISNRR-HOCLYGCPSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668625283 483867899 /nfs/dbraw/zinc/86/78/99/483867899.db2.gz LKZMCCFCEISNRR-ZBFHGGJFSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668634861 483874970 /nfs/dbraw/zinc/87/49/70/483874970.db2.gz DMYQBVGTFIYNAC-KRWDZBQOSA-N 2 1 366.506 -0.108 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668634862 483874883 /nfs/dbraw/zinc/87/48/83/483874883.db2.gz DMYQBVGTFIYNAC-QGZVFWFLSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000668658131 483893428 /nfs/dbraw/zinc/89/34/28/483893428.db2.gz FTUKDLUOIWCCET-HZPDHXFCSA-N 2 1 364.490 -0.044 20 0 FBADMP C[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000668658131 483893426 /nfs/dbraw/zinc/89/34/26/483893426.db2.gz FTUKDLUOIWCCET-HZPDHXFCSA-N 2 1 364.490 -0.044 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)N(CC[NH3+])CCO)c2cccs2)CC1 ZINC000668661115 483895543 /nfs/dbraw/zinc/89/55/43/483895543.db2.gz JODZVRZVQRVYTN-AWEZNQCLSA-N 2 1 355.508 -0.001 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)N(CC[NH3+])CCO)c2cccs2)CC1 ZINC000668661116 483895220 /nfs/dbraw/zinc/89/52/20/483895220.db2.gz JODZVRZVQRVYTN-CQSZACIVSA-N 2 1 355.508 -0.001 20 0 FBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668670618 483903781 /nfs/dbraw/zinc/90/37/81/483903781.db2.gz JOPCKVBINAENOP-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668670620 483903874 /nfs/dbraw/zinc/90/38/74/483903874.db2.gz JOPCKVBINAENOP-GOEBONIOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668670622 483904229 /nfs/dbraw/zinc/90/42/29/483904229.db2.gz JOPCKVBINAENOP-HOCLYGCPSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668670623 483903570 /nfs/dbraw/zinc/90/35/70/483903570.db2.gz JOPCKVBINAENOP-ZBFHGGJFSA-N 2 1 352.479 -0.092 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668670811 483905611 /nfs/dbraw/zinc/90/56/11/483905611.db2.gz MCNIWOYTSWAUPI-GDBMZVCRSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668670813 483905421 /nfs/dbraw/zinc/90/54/21/483905421.db2.gz MCNIWOYTSWAUPI-GOEBONIOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668670814 483905237 /nfs/dbraw/zinc/90/52/37/483905237.db2.gz MCNIWOYTSWAUPI-HOCLYGCPSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668670815 483904641 /nfs/dbraw/zinc/90/46/41/483904641.db2.gz MCNIWOYTSWAUPI-ZBFHGGJFSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668671305 483904672 /nfs/dbraw/zinc/90/46/72/483904672.db2.gz RRASXOLWCIEHIZ-BBRMVZONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668671305 483904664 /nfs/dbraw/zinc/90/46/64/483904664.db2.gz RRASXOLWCIEHIZ-BBRMVZONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668671305 483904660 /nfs/dbraw/zinc/90/46/60/483904660.db2.gz RRASXOLWCIEHIZ-BBRMVZONSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668671306 483904735 /nfs/dbraw/zinc/90/47/35/483904735.db2.gz RRASXOLWCIEHIZ-CJNGLKHVSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668671306 483904730 /nfs/dbraw/zinc/90/47/30/483904730.db2.gz RRASXOLWCIEHIZ-CJNGLKHVSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668671306 483904726 /nfs/dbraw/zinc/90/47/26/483904726.db2.gz RRASXOLWCIEHIZ-CJNGLKHVSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668671307 483905545 /nfs/dbraw/zinc/90/55/45/483905545.db2.gz RRASXOLWCIEHIZ-CZUORRHYSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668671307 483905540 /nfs/dbraw/zinc/90/55/40/483905540.db2.gz RRASXOLWCIEHIZ-CZUORRHYSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668671307 483905536 /nfs/dbraw/zinc/90/55/36/483905536.db2.gz RRASXOLWCIEHIZ-CZUORRHYSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668671309 483905511 /nfs/dbraw/zinc/90/55/11/483905511.db2.gz RRASXOLWCIEHIZ-XJKSGUPXSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668671309 483905506 /nfs/dbraw/zinc/90/55/06/483905506.db2.gz RRASXOLWCIEHIZ-XJKSGUPXSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668671309 483905501 /nfs/dbraw/zinc/90/55/01/483905501.db2.gz RRASXOLWCIEHIZ-XJKSGUPXSA-N 2 1 350.463 -0.603 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668682431 483933589 /nfs/dbraw/zinc/93/35/89/483933589.db2.gz GWWCTMYWZRUDAT-KRWDZBQOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668682432 483932845 /nfs/dbraw/zinc/93/28/45/483932845.db2.gz GWWCTMYWZRUDAT-QGZVFWFLSA-N 2 1 366.506 -0.108 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668729804 484022519 /nfs/dbraw/zinc/02/25/19/484022519.db2.gz FMRRFSVOUIQHBA-HNNXBMFYSA-N 2 1 351.451 -0.123 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668729806 484021912 /nfs/dbraw/zinc/02/19/12/484021912.db2.gz FMRRFSVOUIQHBA-OAHLLOKOSA-N 2 1 351.451 -0.123 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023845 /nfs/dbraw/zinc/02/38/45/484023845.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023838 /nfs/dbraw/zinc/02/38/38/484023838.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023832 /nfs/dbraw/zinc/02/38/32/484023832.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668731724 484025262 /nfs/dbraw/zinc/02/52/62/484025262.db2.gz PUNHKDYPUCSNQT-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668731724 484025254 /nfs/dbraw/zinc/02/52/54/484025254.db2.gz PUNHKDYPUCSNQT-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668731724 484025248 /nfs/dbraw/zinc/02/52/48/484025248.db2.gz PUNHKDYPUCSNQT-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000668744554 484072173 /nfs/dbraw/zinc/07/21/73/484072173.db2.gz PVKOFOLKUHDUHU-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000668744554 484072170 /nfs/dbraw/zinc/07/21/70/484072170.db2.gz PVKOFOLKUHDUHU-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668744554 484072166 /nfs/dbraw/zinc/07/21/66/484072166.db2.gz PVKOFOLKUHDUHU-CABCVRRESA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000668744556 484072105 /nfs/dbraw/zinc/07/21/05/484072105.db2.gz PVKOFOLKUHDUHU-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000668744556 484072100 /nfs/dbraw/zinc/07/21/00/484072100.db2.gz PVKOFOLKUHDUHU-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668744556 484072094 /nfs/dbraw/zinc/07/20/94/484072094.db2.gz PVKOFOLKUHDUHU-GJZGRUSLSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000668744558 484071333 /nfs/dbraw/zinc/07/13/33/484071333.db2.gz PVKOFOLKUHDUHU-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000668744558 484071325 /nfs/dbraw/zinc/07/13/25/484071325.db2.gz PVKOFOLKUHDUHU-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668744558 484071320 /nfs/dbraw/zinc/07/13/20/484071320.db2.gz PVKOFOLKUHDUHU-HUUCEWRRSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000668744559 484072220 /nfs/dbraw/zinc/07/22/20/484072220.db2.gz PVKOFOLKUHDUHU-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000668744559 484072216 /nfs/dbraw/zinc/07/22/16/484072216.db2.gz PVKOFOLKUHDUHU-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668744559 484072214 /nfs/dbraw/zinc/07/22/14/484072214.db2.gz PVKOFOLKUHDUHU-LSDHHAIUSA-N 2 1 367.494 -0.757 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745176 484074841 /nfs/dbraw/zinc/07/48/41/484074841.db2.gz WSWOASLBNMYENH-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745176 484074827 /nfs/dbraw/zinc/07/48/27/484074827.db2.gz WSWOASLBNMYENH-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745176 484074817 /nfs/dbraw/zinc/07/48/17/484074817.db2.gz WSWOASLBNMYENH-CABCVRRESA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745177 484074002 /nfs/dbraw/zinc/07/40/02/484074002.db2.gz WSWOASLBNMYENH-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745177 484073997 /nfs/dbraw/zinc/07/39/97/484073997.db2.gz WSWOASLBNMYENH-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745177 484073994 /nfs/dbraw/zinc/07/39/94/484073994.db2.gz WSWOASLBNMYENH-GJZGRUSLSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074073 /nfs/dbraw/zinc/07/40/73/484074073.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074069 /nfs/dbraw/zinc/07/40/69/484074069.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074063 /nfs/dbraw/zinc/07/40/63/484074063.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074248 /nfs/dbraw/zinc/07/42/48/484074248.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074244 /nfs/dbraw/zinc/07/42/44/484074244.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074240 /nfs/dbraw/zinc/07/42/40/484074240.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 2 1 367.494 -0.710 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668750507 484104517 /nfs/dbraw/zinc/10/45/17/484104517.db2.gz IBOYQTKUPNNANS-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668750510 484104708 /nfs/dbraw/zinc/10/47/08/484104708.db2.gz IBOYQTKUPNNANS-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000668776611 484158270 /nfs/dbraw/zinc/15/82/70/484158270.db2.gz DOJKWTCRZYIKAE-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000668776612 484157817 /nfs/dbraw/zinc/15/78/17/484157817.db2.gz DOJKWTCRZYIKAE-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160915 /nfs/dbraw/zinc/16/09/15/484160915.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160911 /nfs/dbraw/zinc/16/09/11/484160911.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160903 /nfs/dbraw/zinc/16/09/03/484160903.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161424 /nfs/dbraw/zinc/16/14/24/484161424.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161417 /nfs/dbraw/zinc/16/14/17/484161417.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161408 /nfs/dbraw/zinc/16/14/08/484161408.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668777610 484161883 /nfs/dbraw/zinc/16/18/83/484161883.db2.gz RSRYMGAIBAOFIQ-GDBMZVCRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668777610 484161877 /nfs/dbraw/zinc/16/18/77/484161877.db2.gz RSRYMGAIBAOFIQ-GDBMZVCRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668777610 484161873 /nfs/dbraw/zinc/16/18/73/484161873.db2.gz RSRYMGAIBAOFIQ-GDBMZVCRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668777611 484160959 /nfs/dbraw/zinc/16/09/59/484160959.db2.gz RSRYMGAIBAOFIQ-GOEBONIOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668777611 484160951 /nfs/dbraw/zinc/16/09/51/484160951.db2.gz RSRYMGAIBAOFIQ-GOEBONIOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668777611 484160943 /nfs/dbraw/zinc/16/09/43/484160943.db2.gz RSRYMGAIBAOFIQ-GOEBONIOSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668777612 484161972 /nfs/dbraw/zinc/16/19/72/484161972.db2.gz RSRYMGAIBAOFIQ-HOCLYGCPSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668777612 484161970 /nfs/dbraw/zinc/16/19/70/484161970.db2.gz RSRYMGAIBAOFIQ-HOCLYGCPSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668777612 484161968 /nfs/dbraw/zinc/16/19/68/484161968.db2.gz RSRYMGAIBAOFIQ-HOCLYGCPSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668777613 484161651 /nfs/dbraw/zinc/16/16/51/484161651.db2.gz RSRYMGAIBAOFIQ-ZBFHGGJFSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668777613 484161642 /nfs/dbraw/zinc/16/16/42/484161642.db2.gz RSRYMGAIBAOFIQ-ZBFHGGJFSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668777613 484161633 /nfs/dbraw/zinc/16/16/33/484161633.db2.gz RSRYMGAIBAOFIQ-ZBFHGGJFSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000668794307 484208611 /nfs/dbraw/zinc/20/86/11/484208611.db2.gz FMPMBBJWTMKXKD-BBRMVZONSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000668794308 484208721 /nfs/dbraw/zinc/20/87/21/484208721.db2.gz FMPMBBJWTMKXKD-CJNGLKHVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000668794309 484208858 /nfs/dbraw/zinc/20/88/58/484208858.db2.gz FMPMBBJWTMKXKD-CZUORRHYSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000668794310 484209166 /nfs/dbraw/zinc/20/91/66/484209166.db2.gz FMPMBBJWTMKXKD-XJKSGUPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+](C)C1CC1 ZINC000668795995 484211844 /nfs/dbraw/zinc/21/18/44/484211844.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+](C)C1CC1 ZINC000668795995 484211840 /nfs/dbraw/zinc/21/18/40/484211840.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795995 484211837 /nfs/dbraw/zinc/21/18/37/484211837.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+](C)C1CC1 ZINC000668795996 484212177 /nfs/dbraw/zinc/21/21/77/484212177.db2.gz MDCJMLYOHNONDB-CJNGLKHVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+](C)C1CC1 ZINC000668795996 484212175 /nfs/dbraw/zinc/21/21/75/484212175.db2.gz MDCJMLYOHNONDB-CJNGLKHVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795996 484212169 /nfs/dbraw/zinc/21/21/69/484212169.db2.gz MDCJMLYOHNONDB-CJNGLKHVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+](C)C1CC1 ZINC000668795997 484214365 /nfs/dbraw/zinc/21/43/65/484214365.db2.gz MDCJMLYOHNONDB-CZUORRHYSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+](C)C1CC1 ZINC000668795997 484214361 /nfs/dbraw/zinc/21/43/61/484214361.db2.gz MDCJMLYOHNONDB-CZUORRHYSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795997 484214356 /nfs/dbraw/zinc/21/43/56/484214356.db2.gz MDCJMLYOHNONDB-CZUORRHYSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+](C)C1CC1 ZINC000668795998 484213701 /nfs/dbraw/zinc/21/37/01/484213701.db2.gz MDCJMLYOHNONDB-XJKSGUPXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+](C)C1CC1 ZINC000668795998 484213699 /nfs/dbraw/zinc/21/36/99/484213699.db2.gz MDCJMLYOHNONDB-XJKSGUPXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795998 484213696 /nfs/dbraw/zinc/21/36/96/484213696.db2.gz MDCJMLYOHNONDB-XJKSGUPXSA-N 2 1 352.479 -0.357 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298047 /nfs/dbraw/zinc/29/80/47/484298047.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298045 /nfs/dbraw/zinc/29/80/45/484298045.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298043 /nfs/dbraw/zinc/29/80/43/484298043.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299052 /nfs/dbraw/zinc/29/90/52/484299052.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299047 /nfs/dbraw/zinc/29/90/47/484299047.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299042 /nfs/dbraw/zinc/29/90/42/484299042.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299113 /nfs/dbraw/zinc/29/91/13/484299113.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299106 /nfs/dbraw/zinc/29/91/06/484299106.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299101 /nfs/dbraw/zinc/29/91/01/484299101.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299224 /nfs/dbraw/zinc/29/92/24/484299224.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299216 /nfs/dbraw/zinc/29/92/16/484299216.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299209 /nfs/dbraw/zinc/29/92/09/484299209.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 2 1 364.490 -0.356 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668827310 484300230 /nfs/dbraw/zinc/30/02/30/484300230.db2.gz UCCQKGHZCXSMHM-DLBZAZTESA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668827311 484300721 /nfs/dbraw/zinc/30/07/21/484300721.db2.gz UCCQKGHZCXSMHM-IAGOWNOFSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668827312 484299880 /nfs/dbraw/zinc/29/98/80/484299880.db2.gz UCCQKGHZCXSMHM-IRXDYDNUSA-N 2 1 364.490 -0.044 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668827313 484300490 /nfs/dbraw/zinc/30/04/90/484300490.db2.gz UCCQKGHZCXSMHM-SJORKVTESA-N 2 1 364.490 -0.044 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668840163 484364682 /nfs/dbraw/zinc/36/46/82/484364682.db2.gz FCDVKMPXMCMUGD-CVEARBPZSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668840165 484365095 /nfs/dbraw/zinc/36/50/95/484365095.db2.gz FCDVKMPXMCMUGD-HOTGVXAUSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668840166 484364521 /nfs/dbraw/zinc/36/45/21/484364521.db2.gz FCDVKMPXMCMUGD-HZPDHXFCSA-N 2 1 370.494 -0.608 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668840168 484365067 /nfs/dbraw/zinc/36/50/67/484365067.db2.gz FCDVKMPXMCMUGD-JKSUJKDBSA-N 2 1 370.494 -0.608 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000668862247 484418908 /nfs/dbraw/zinc/41/89/08/484418908.db2.gz UVNHOUVWKAKPOP-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000668862247 484418904 /nfs/dbraw/zinc/41/89/04/484418904.db2.gz UVNHOUVWKAKPOP-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000668862248 484418264 /nfs/dbraw/zinc/41/82/64/484418264.db2.gz UVNHOUVWKAKPOP-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000668862248 484418255 /nfs/dbraw/zinc/41/82/55/484418255.db2.gz UVNHOUVWKAKPOP-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668862890 484420117 /nfs/dbraw/zinc/42/01/17/484420117.db2.gz DYWOHJAFWVRQQJ-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668862890 484420110 /nfs/dbraw/zinc/42/01/10/484420110.db2.gz DYWOHJAFWVRQQJ-HNNXBMFYSA-N 2 1 367.494 -0.792 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668862903 484419526 /nfs/dbraw/zinc/41/95/26/484419526.db2.gz DYWOHJAFWVRQQJ-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668862903 484419521 /nfs/dbraw/zinc/41/95/21/484419521.db2.gz DYWOHJAFWVRQQJ-OAHLLOKOSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668891383 483479645 /nfs/dbraw/zinc/47/96/45/483479645.db2.gz BKIOGNDGVRSINK-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668891388 483479076 /nfs/dbraw/zinc/47/90/76/483479076.db2.gz BKIOGNDGVRSINK-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668891389 483478816 /nfs/dbraw/zinc/47/88/16/483478816.db2.gz BKIOGNDGVRSINK-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668891393 483478799 /nfs/dbraw/zinc/47/87/99/483478799.db2.gz BKIOGNDGVRSINK-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668892271 483481981 /nfs/dbraw/zinc/48/19/81/483481981.db2.gz GATCOIWHSCKXQN-KRWDZBQOSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668892272 483481885 /nfs/dbraw/zinc/48/18/85/483481885.db2.gz GATCOIWHSCKXQN-QGZVFWFLSA-N 2 1 365.522 -0.413 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892918 483484753 /nfs/dbraw/zinc/48/47/53/483484753.db2.gz KZXQEQIGRCTRNO-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892919 483484804 /nfs/dbraw/zinc/48/48/04/483484804.db2.gz KZXQEQIGRCTRNO-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892920 483485042 /nfs/dbraw/zinc/48/50/42/483485042.db2.gz KZXQEQIGRCTRNO-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892921 483484712 /nfs/dbraw/zinc/48/47/12/483484712.db2.gz KZXQEQIGRCTRNO-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668910139 483523136 /nfs/dbraw/zinc/52/31/36/483523136.db2.gz DVRIGYKKUPMKLZ-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668910140 483521940 /nfs/dbraw/zinc/52/19/40/483521940.db2.gz DVRIGYKKUPMKLZ-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668910141 483522113 /nfs/dbraw/zinc/52/21/13/483522113.db2.gz DVRIGYKKUPMKLZ-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668910142 483522513 /nfs/dbraw/zinc/52/25/13/483522513.db2.gz DVRIGYKKUPMKLZ-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000668911264 483527206 /nfs/dbraw/zinc/52/72/06/483527206.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000668911264 483527203 /nfs/dbraw/zinc/52/72/03/483527203.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911264 483527198 /nfs/dbraw/zinc/52/71/98/483527198.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911264 483527192 /nfs/dbraw/zinc/52/71/92/483527192.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911264 483527185 /nfs/dbraw/zinc/52/71/85/483527185.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000668911266 483525563 /nfs/dbraw/zinc/52/55/63/483525563.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000668911266 483525559 /nfs/dbraw/zinc/52/55/59/483525559.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911266 483525553 /nfs/dbraw/zinc/52/55/53/483525553.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911266 483525551 /nfs/dbraw/zinc/52/55/51/483525551.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911266 483525548 /nfs/dbraw/zinc/52/55/48/483525548.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000668911269 483526585 /nfs/dbraw/zinc/52/65/85/483526585.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000668911269 483526580 /nfs/dbraw/zinc/52/65/80/483526580.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911269 483526576 /nfs/dbraw/zinc/52/65/76/483526576.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911269 483526572 /nfs/dbraw/zinc/52/65/72/483526572.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911269 483526569 /nfs/dbraw/zinc/52/65/69/483526569.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000668911270 483526226 /nfs/dbraw/zinc/52/62/26/483526226.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000668911270 483526222 /nfs/dbraw/zinc/52/62/22/483526222.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911270 483526214 /nfs/dbraw/zinc/52/62/14/483526214.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000668911270 483526207 /nfs/dbraw/zinc/52/62/07/483526207.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911270 483526202 /nfs/dbraw/zinc/52/62/02/483526202.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000668991707 483700921 /nfs/dbraw/zinc/70/09/21/483700921.db2.gz HMOPPCTTZKPXRR-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000668991707 483700916 /nfs/dbraw/zinc/70/09/16/483700916.db2.gz HMOPPCTTZKPXRR-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000668991707 483700913 /nfs/dbraw/zinc/70/09/13/483700913.db2.gz HMOPPCTTZKPXRR-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000668991714 483701317 /nfs/dbraw/zinc/70/13/17/483701317.db2.gz HMOPPCTTZKPXRR-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000668991714 483701316 /nfs/dbraw/zinc/70/13/16/483701316.db2.gz HMOPPCTTZKPXRR-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000668991714 483701314 /nfs/dbraw/zinc/70/13/14/483701314.db2.gz HMOPPCTTZKPXRR-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000668992552 483701626 /nfs/dbraw/zinc/70/16/26/483701626.db2.gz QHKHZZMMMHBJMQ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000668992552 483701624 /nfs/dbraw/zinc/70/16/24/483701624.db2.gz QHKHZZMMMHBJMQ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668992552 483701619 /nfs/dbraw/zinc/70/16/19/483701619.db2.gz QHKHZZMMMHBJMQ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000668992553 483701262 /nfs/dbraw/zinc/70/12/62/483701262.db2.gz QHKHZZMMMHBJMQ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000668992553 483701261 /nfs/dbraw/zinc/70/12/61/483701261.db2.gz QHKHZZMMMHBJMQ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668992553 483701259 /nfs/dbraw/zinc/70/12/59/483701259.db2.gz QHKHZZMMMHBJMQ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000669027550 483752416 /nfs/dbraw/zinc/75/24/16/483752416.db2.gz OPYWZFPCBAGZAE-HNNXBMFYSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000669027554 483752234 /nfs/dbraw/zinc/75/22/34/483752234.db2.gz OPYWZFPCBAGZAE-OAHLLOKOSA-N 2 1 352.479 -0.356 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669103385 483818406 /nfs/dbraw/zinc/81/84/06/483818406.db2.gz BLLZXIIWTQIUHA-INIZCTEOSA-N 2 1 370.494 -0.560 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669103386 483818375 /nfs/dbraw/zinc/81/83/75/483818375.db2.gz BLLZXIIWTQIUHA-MRXNPFEDSA-N 2 1 370.494 -0.560 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818721 /nfs/dbraw/zinc/81/87/21/483818721.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818718 /nfs/dbraw/zinc/81/87/18/483818718.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818715 /nfs/dbraw/zinc/81/87/15/483818715.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 2 1 370.494 -0.872 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818798 /nfs/dbraw/zinc/81/87/98/483818798.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818795 /nfs/dbraw/zinc/81/87/95/483818795.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818791 /nfs/dbraw/zinc/81/87/91/483818791.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 2 1 370.494 -0.872 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000669221532 483899622 /nfs/dbraw/zinc/89/96/22/483899622.db2.gz SOUFFOZBPUCXFV-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000669221532 483899620 /nfs/dbraw/zinc/89/96/20/483899620.db2.gz SOUFFOZBPUCXFV-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000669221532 483899619 /nfs/dbraw/zinc/89/96/19/483899619.db2.gz SOUFFOZBPUCXFV-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000669221533 483900074 /nfs/dbraw/zinc/90/00/74/483900074.db2.gz SOUFFOZBPUCXFV-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000669221533 483900072 /nfs/dbraw/zinc/90/00/72/483900072.db2.gz SOUFFOZBPUCXFV-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000669221533 483900069 /nfs/dbraw/zinc/90/00/69/483900069.db2.gz SOUFFOZBPUCXFV-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)(N2CCCCC2)CC1 ZINC000669252523 483926234 /nfs/dbraw/zinc/92/62/34/483926234.db2.gz NATXJPYVXPQYIN-ZDUSSCGKSA-N 2 1 351.451 -0.349 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669478084 484026905 /nfs/dbraw/zinc/02/69/05/484026905.db2.gz VLBDWFHGVOKTBP-HNNXBMFYSA-N 2 1 369.535 -0.111 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669478085 484025666 /nfs/dbraw/zinc/02/56/66/484025666.db2.gz VLBDWFHGVOKTBP-OAHLLOKOSA-N 2 1 369.535 -0.111 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669486483 484091730 /nfs/dbraw/zinc/09/17/30/484091730.db2.gz PIJDCJIIIPLHEP-BBWFWOEESA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669486484 484091141 /nfs/dbraw/zinc/09/11/41/484091141.db2.gz PIJDCJIIIPLHEP-IXDOHACOSA-N 2 1 351.495 -0.071 20 0 FBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490526 484093544 /nfs/dbraw/zinc/09/35/44/484093544.db2.gz MFUPNBJOPODUOC-CYBMUJFWSA-N 2 1 373.523 -0.655 20 0 FBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490527 484092774 /nfs/dbraw/zinc/09/27/74/484092774.db2.gz MFUPNBJOPODUOC-ZDUSSCGKSA-N 2 1 373.523 -0.655 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669490998 484093777 /nfs/dbraw/zinc/09/37/77/484093777.db2.gz HTBKDJJRJBGFTA-AWEZNQCLSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669490998 484093770 /nfs/dbraw/zinc/09/37/70/484093770.db2.gz HTBKDJJRJBGFTA-AWEZNQCLSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669490999 484093750 /nfs/dbraw/zinc/09/37/50/484093750.db2.gz HTBKDJJRJBGFTA-CQSZACIVSA-N 2 1 371.507 -0.901 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669490999 484093746 /nfs/dbraw/zinc/09/37/46/484093746.db2.gz HTBKDJJRJBGFTA-CQSZACIVSA-N 2 1 371.507 -0.901 20 0 FBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669529719 484161593 /nfs/dbraw/zinc/16/15/93/484161593.db2.gz ZHAUXGJNHFZJSK-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669529720 484161363 /nfs/dbraw/zinc/16/13/63/484161363.db2.gz ZHAUXGJNHFZJSK-CQSZACIVSA-N 2 1 373.523 -0.510 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000669538547 484187578 /nfs/dbraw/zinc/18/75/78/484187578.db2.gz WOHCQPDHJXXIGE-KKUMJFAQSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000669538547 484187570 /nfs/dbraw/zinc/18/75/70/484187570.db2.gz WOHCQPDHJXXIGE-KKUMJFAQSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000669538548 484186674 /nfs/dbraw/zinc/18/66/74/484186674.db2.gz WOHCQPDHJXXIGE-RRFJBIMHSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000669538548 484186669 /nfs/dbraw/zinc/18/66/69/484186669.db2.gz WOHCQPDHJXXIGE-RRFJBIMHSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000669538549 484187170 /nfs/dbraw/zinc/18/71/70/484187170.db2.gz WOHCQPDHJXXIGE-SOUVJXGZSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000669538549 484187164 /nfs/dbraw/zinc/18/71/64/484187164.db2.gz WOHCQPDHJXXIGE-SOUVJXGZSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000669538550 484187818 /nfs/dbraw/zinc/18/78/18/484187818.db2.gz WOHCQPDHJXXIGE-ZNMIVQPWSA-N 2 1 355.483 -0.265 20 0 FBADMP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000669538550 484187813 /nfs/dbraw/zinc/18/78/13/484187813.db2.gz WOHCQPDHJXXIGE-ZNMIVQPWSA-N 2 1 355.483 -0.265 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CC(NS(C)(=O)=O)C3)cn2)CC1 ZINC000669831671 484584203 /nfs/dbraw/zinc/58/42/03/484584203.db2.gz NTSADZDRSKZFRS-UHFFFAOYSA-N 2 1 354.480 -0.602 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670471504 485043538 /nfs/dbraw/zinc/04/35/38/485043538.db2.gz BXZYSHWZMRIIMG-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670471504 485043534 /nfs/dbraw/zinc/04/35/34/485043534.db2.gz BXZYSHWZMRIIMG-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670471505 485044111 /nfs/dbraw/zinc/04/41/11/485044111.db2.gz BXZYSHWZMRIIMG-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670471505 485044104 /nfs/dbraw/zinc/04/41/04/485044104.db2.gz BXZYSHWZMRIIMG-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000670473024 485061155 /nfs/dbraw/zinc/06/11/55/485061155.db2.gz WDHLSKPFODVLRU-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000670473039 485061555 /nfs/dbraw/zinc/06/15/55/485061555.db2.gz WDHLSKPFODVLRU-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)C1 ZINC000670479244 485098673 /nfs/dbraw/zinc/09/86/73/485098673.db2.gz BEWQTKVLLVRXDX-INIZCTEOSA-N 2 1 362.478 -0.372 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)C1 ZINC000670479245 485099232 /nfs/dbraw/zinc/09/92/32/485099232.db2.gz BEWQTKVLLVRXDX-MRXNPFEDSA-N 2 1 362.478 -0.372 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670479629 485103781 /nfs/dbraw/zinc/10/37/81/485103781.db2.gz SJXZVADZEBQRMT-UHFFFAOYSA-N 2 1 361.446 -0.431 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670479818 485105369 /nfs/dbraw/zinc/10/53/69/485105369.db2.gz KEULKFXUFLONQO-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670479819 485104199 /nfs/dbraw/zinc/10/41/99/485104199.db2.gz KEULKFXUFLONQO-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670545963 483467891 /nfs/dbraw/zinc/46/78/91/483467891.db2.gz FJGZISUTLLOIKQ-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670545964 483466999 /nfs/dbraw/zinc/46/69/99/483466999.db2.gz FJGZISUTLLOIKQ-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671723 483828070 /nfs/dbraw/zinc/82/80/70/483828070.db2.gz WUIOMZJTNARRBL-ARFHVFGLSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671723 483828068 /nfs/dbraw/zinc/82/80/68/483828068.db2.gz WUIOMZJTNARRBL-ARFHVFGLSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671724 483828419 /nfs/dbraw/zinc/82/84/19/483828419.db2.gz WUIOMZJTNARRBL-BZUAXINKSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671724 483828418 /nfs/dbraw/zinc/82/84/18/483828418.db2.gz WUIOMZJTNARRBL-BZUAXINKSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671725 483828457 /nfs/dbraw/zinc/82/84/57/483828457.db2.gz WUIOMZJTNARRBL-OAGGEKHMSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671725 483828456 /nfs/dbraw/zinc/82/84/56/483828456.db2.gz WUIOMZJTNARRBL-OAGGEKHMSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671726 483828435 /nfs/dbraw/zinc/82/84/35/483828435.db2.gz WUIOMZJTNARRBL-XHSDSOJGSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671726 483828434 /nfs/dbraw/zinc/82/84/34/483828434.db2.gz WUIOMZJTNARRBL-XHSDSOJGSA-N 2 1 370.494 -0.705 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000670786772 484236152 /nfs/dbraw/zinc/23/61/52/484236152.db2.gz DULGKMNZCZUFQE-INIZCTEOSA-N 2 1 374.489 -0.340 20 0 FBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000670786773 484234399 /nfs/dbraw/zinc/23/43/99/484234399.db2.gz DULGKMNZCZUFQE-MRXNPFEDSA-N 2 1 374.489 -0.340 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000670787690 484242588 /nfs/dbraw/zinc/24/25/88/484242588.db2.gz DNZXTNCQIMJUAA-DZGCQCFKSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1C[N@H+](C)CCO1 ZINC000670787690 484242581 /nfs/dbraw/zinc/24/25/81/484242581.db2.gz DNZXTNCQIMJUAA-DZGCQCFKSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670787691 484241538 /nfs/dbraw/zinc/24/15/38/484241538.db2.gz DNZXTNCQIMJUAA-HIFRSBDPSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1C[N@H+](C)CCO1 ZINC000670787691 484241535 /nfs/dbraw/zinc/24/15/35/484241535.db2.gz DNZXTNCQIMJUAA-HIFRSBDPSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000670787692 484242411 /nfs/dbraw/zinc/24/24/11/484242411.db2.gz DNZXTNCQIMJUAA-UKRRQHHQSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1C[N@H+](C)CCO1 ZINC000670787692 484242406 /nfs/dbraw/zinc/24/24/06/484242406.db2.gz DNZXTNCQIMJUAA-UKRRQHHQSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670787693 484241466 /nfs/dbraw/zinc/24/14/66/484241466.db2.gz DNZXTNCQIMJUAA-ZFWWWQNUSA-N 2 1 359.430 -0.172 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1C[N@H+](C)CCO1 ZINC000670787693 484241464 /nfs/dbraw/zinc/24/14/64/484241464.db2.gz DNZXTNCQIMJUAA-ZFWWWQNUSA-N 2 1 359.430 -0.172 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)N1CCOCC1 ZINC000670814040 483801411 /nfs/dbraw/zinc/80/14/11/483801411.db2.gz MAPIMUTXCNNWIU-HRCADAONSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)N1CCOCC1 ZINC000670814041 483801184 /nfs/dbraw/zinc/80/11/84/483801184.db2.gz MAPIMUTXCNNWIU-JYJNAYRXSA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)N1CCOCC1 ZINC000670814042 483801141 /nfs/dbraw/zinc/80/11/41/483801141.db2.gz MAPIMUTXCNNWIU-OWCLPIDISA-N 2 1 370.494 -0.705 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)N1CCOCC1 ZINC000670814043 483801439 /nfs/dbraw/zinc/80/14/39/483801439.db2.gz MAPIMUTXCNNWIU-PMPSAXMXSA-N 2 1 370.494 -0.705 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670877861 484281488 /nfs/dbraw/zinc/28/14/88/484281488.db2.gz MHZFQUXPSKQVTB-KRWDZBQOSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877861 484281482 /nfs/dbraw/zinc/28/14/82/484281482.db2.gz MHZFQUXPSKQVTB-KRWDZBQOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670877861 484281474 /nfs/dbraw/zinc/28/14/74/484281474.db2.gz MHZFQUXPSKQVTB-KRWDZBQOSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670877862 484281922 /nfs/dbraw/zinc/28/19/22/484281922.db2.gz MHZFQUXPSKQVTB-QGZVFWFLSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877862 484281920 /nfs/dbraw/zinc/28/19/20/484281920.db2.gz MHZFQUXPSKQVTB-QGZVFWFLSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670877862 484281914 /nfs/dbraw/zinc/28/19/14/484281914.db2.gz MHZFQUXPSKQVTB-QGZVFWFLSA-N 2 1 365.522 -0.271 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000670878267 484282212 /nfs/dbraw/zinc/28/22/12/484282212.db2.gz DCNHLTCKUBIXAQ-HNNXBMFYSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000670878268 484282236 /nfs/dbraw/zinc/28/22/36/484282236.db2.gz DCNHLTCKUBIXAQ-OAHLLOKOSA-N 2 1 367.538 -0.025 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000670892434 484314892 /nfs/dbraw/zinc/31/48/92/484314892.db2.gz XMALWHZCETXXCN-INIZCTEOSA-N 2 1 374.489 -0.340 20 0 FBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000670892435 484315583 /nfs/dbraw/zinc/31/55/83/484315583.db2.gz XMALWHZCETXXCN-MRXNPFEDSA-N 2 1 374.489 -0.340 20 0 FBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967292 484253161 /nfs/dbraw/zinc/25/31/61/484253161.db2.gz PADXDZDUDAKDHH-HNNXBMFYSA-N 2 1 367.494 -0.743 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967293 484252661 /nfs/dbraw/zinc/25/26/61/484252661.db2.gz PADXDZDUDAKDHH-OAHLLOKOSA-N 2 1 367.494 -0.743 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670967350 484252550 /nfs/dbraw/zinc/25/25/50/484252550.db2.gz BGGNIJAGSNJWGE-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670967350 484252545 /nfs/dbraw/zinc/25/25/45/484252545.db2.gz BGGNIJAGSNJWGE-CABCVRRESA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670967351 484252874 /nfs/dbraw/zinc/25/28/74/484252874.db2.gz BGGNIJAGSNJWGE-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670967351 484252871 /nfs/dbraw/zinc/25/28/71/484252871.db2.gz BGGNIJAGSNJWGE-GJZGRUSLSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670967352 484253111 /nfs/dbraw/zinc/25/31/11/484253111.db2.gz BGGNIJAGSNJWGE-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670967352 484253107 /nfs/dbraw/zinc/25/31/07/484253107.db2.gz BGGNIJAGSNJWGE-HUUCEWRRSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670967353 484252723 /nfs/dbraw/zinc/25/27/23/484252723.db2.gz BGGNIJAGSNJWGE-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670967353 484252716 /nfs/dbraw/zinc/25/27/16/484252716.db2.gz BGGNIJAGSNJWGE-LSDHHAIUSA-N 2 1 365.478 -0.990 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000670967458 484253284 /nfs/dbraw/zinc/25/32/84/484253284.db2.gz ALTREUIVRIIOCY-CABCVRRESA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000670967458 484253279 /nfs/dbraw/zinc/25/32/79/484253279.db2.gz ALTREUIVRIIOCY-CABCVRRESA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000670967459 484252367 /nfs/dbraw/zinc/25/23/67/484252367.db2.gz ALTREUIVRIIOCY-GJZGRUSLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000670967459 484252355 /nfs/dbraw/zinc/25/23/55/484252355.db2.gz ALTREUIVRIIOCY-GJZGRUSLSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000670967460 484252260 /nfs/dbraw/zinc/25/22/60/484252260.db2.gz ALTREUIVRIIOCY-HUUCEWRRSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000670967460 484252255 /nfs/dbraw/zinc/25/22/55/484252255.db2.gz ALTREUIVRIIOCY-HUUCEWRRSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000670967461 484252189 /nfs/dbraw/zinc/25/21/89/484252189.db2.gz ALTREUIVRIIOCY-LSDHHAIUSA-N 2 1 367.494 -0.792 20 0 FBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000670967461 484252184 /nfs/dbraw/zinc/25/21/84/484252184.db2.gz ALTREUIVRIIOCY-LSDHHAIUSA-N 2 1 367.494 -0.792 20 0 FBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967587 484255002 /nfs/dbraw/zinc/25/50/02/484255002.db2.gz GFZSEVWDXJOUMR-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967588 484255125 /nfs/dbraw/zinc/25/51/25/484255125.db2.gz GFZSEVWDXJOUMR-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000670967828 484255673 /nfs/dbraw/zinc/25/56/73/484255673.db2.gz OAGBASVNJVQBOZ-AWEZNQCLSA-N 2 1 367.494 -0.887 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000670967829 484256167 /nfs/dbraw/zinc/25/61/67/484256167.db2.gz OAGBASVNJVQBOZ-CQSZACIVSA-N 2 1 367.494 -0.887 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671032009 484552462 /nfs/dbraw/zinc/55/24/62/484552462.db2.gz UDLTYZQNWAWNKG-INIZCTEOSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671032010 484552505 /nfs/dbraw/zinc/55/25/05/484552505.db2.gz UDLTYZQNWAWNKG-MRXNPFEDSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671032143 484550769 /nfs/dbraw/zinc/55/07/69/484550769.db2.gz DUHWCBOOKVSQOQ-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671032144 484550378 /nfs/dbraw/zinc/55/03/78/484550378.db2.gz DUHWCBOOKVSQOQ-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671032145 484550505 /nfs/dbraw/zinc/55/05/05/484550505.db2.gz DUHWCBOOKVSQOQ-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671032146 484551012 /nfs/dbraw/zinc/55/10/12/484551012.db2.gz DUHWCBOOKVSQOQ-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671032974 484555619 /nfs/dbraw/zinc/55/56/19/484555619.db2.gz VUYZKSIHBLFKNQ-KRWDZBQOSA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671032974 484555613 /nfs/dbraw/zinc/55/56/13/484555613.db2.gz VUYZKSIHBLFKNQ-KRWDZBQOSA-N 2 1 365.522 -0.269 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671032974 484555608 /nfs/dbraw/zinc/55/56/08/484555608.db2.gz VUYZKSIHBLFKNQ-KRWDZBQOSA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671032975 484556600 /nfs/dbraw/zinc/55/66/00/484556600.db2.gz VUYZKSIHBLFKNQ-QGZVFWFLSA-N 2 1 365.522 -0.269 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671032975 484556594 /nfs/dbraw/zinc/55/65/94/484556594.db2.gz VUYZKSIHBLFKNQ-QGZVFWFLSA-N 2 1 365.522 -0.269 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671032975 484556588 /nfs/dbraw/zinc/55/65/88/484556588.db2.gz VUYZKSIHBLFKNQ-QGZVFWFLSA-N 2 1 365.522 -0.269 20 0 FBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000671033280 484556307 /nfs/dbraw/zinc/55/63/07/484556307.db2.gz HKWKWZLANBGMEY-UHFFFAOYSA-N 2 1 365.522 -0.102 20 0 FBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000671060119 483911647 /nfs/dbraw/zinc/91/16/47/483911647.db2.gz AIUDZPJBBVEALF-AWEZNQCLSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000671060120 483912179 /nfs/dbraw/zinc/91/21/79/483912179.db2.gz AIUDZPJBBVEALF-CQSZACIVSA-N 2 1 367.494 -0.696 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000671060268 483911943 /nfs/dbraw/zinc/91/19/43/483911943.db2.gz HOCKVXNTQNGWOP-CYBMUJFWSA-N 2 1 355.483 -0.841 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000671060406 483912393 /nfs/dbraw/zinc/91/23/93/483912393.db2.gz LBWQMUWLEWBMFA-HNNXBMFYSA-N 2 1 367.494 -0.698 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000671060407 483912056 /nfs/dbraw/zinc/91/20/56/483912056.db2.gz LBWQMUWLEWBMFA-OAHLLOKOSA-N 2 1 367.494 -0.698 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000671061103 483913325 /nfs/dbraw/zinc/91/33/25/483913325.db2.gz MUKPUGNKZDVBFE-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671072049 484030536 /nfs/dbraw/zinc/03/05/36/484030536.db2.gz WJHHAOHQDBRKOW-HEHGZKQESA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671072049 484030528 /nfs/dbraw/zinc/03/05/28/484030528.db2.gz WJHHAOHQDBRKOW-HEHGZKQESA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671072050 484031012 /nfs/dbraw/zinc/03/10/12/484031012.db2.gz WJHHAOHQDBRKOW-WOSRLPQWSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1C[N@H+](C)CCO1 ZINC000671072050 484031007 /nfs/dbraw/zinc/03/10/07/484031007.db2.gz WJHHAOHQDBRKOW-WOSRLPQWSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671072051 484030824 /nfs/dbraw/zinc/03/08/24/484030824.db2.gz WJHHAOHQDBRKOW-XEZPLFJOSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671072051 484030819 /nfs/dbraw/zinc/03/08/19/484030819.db2.gz WJHHAOHQDBRKOW-XEZPLFJOSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671072052 484031278 /nfs/dbraw/zinc/03/12/78/484031278.db2.gz WJHHAOHQDBRKOW-ZENOOKHLSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1C[N@H+](C)CCO1 ZINC000671072052 484031269 /nfs/dbraw/zinc/03/12/69/484031269.db2.gz WJHHAOHQDBRKOW-ZENOOKHLSA-N 2 1 358.508 -0.625 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671091494 484202809 /nfs/dbraw/zinc/20/28/09/484202809.db2.gz KQOSVECHYLJKLB-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671091494 484202805 /nfs/dbraw/zinc/20/28/05/484202805.db2.gz KQOSVECHYLJKLB-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671091495 484202851 /nfs/dbraw/zinc/20/28/51/484202851.db2.gz KQOSVECHYLJKLB-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671091495 484202848 /nfs/dbraw/zinc/20/28/48/484202848.db2.gz KQOSVECHYLJKLB-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671091496 484203201 /nfs/dbraw/zinc/20/32/01/484203201.db2.gz KQOSVECHYLJKLB-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671091496 484203197 /nfs/dbraw/zinc/20/31/97/484203197.db2.gz KQOSVECHYLJKLB-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671091497 484202899 /nfs/dbraw/zinc/20/28/99/484202899.db2.gz KQOSVECHYLJKLB-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671091497 484202895 /nfs/dbraw/zinc/20/28/95/484202895.db2.gz KQOSVECHYLJKLB-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100366 484243160 /nfs/dbraw/zinc/24/31/60/484243160.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100368 484244092 /nfs/dbraw/zinc/24/40/92/484244092.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100370 484244348 /nfs/dbraw/zinc/24/43/48/484244348.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 3 1 353.511 -0.319 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100371 484244008 /nfs/dbraw/zinc/24/40/08/484244008.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 3 1 353.511 -0.319 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671101773 484244197 /nfs/dbraw/zinc/24/41/97/484244197.db2.gz LJBIGVKAIANGGB-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671101773 484244191 /nfs/dbraw/zinc/24/41/91/484244191.db2.gz LJBIGVKAIANGGB-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671101773 484244185 /nfs/dbraw/zinc/24/41/85/484244185.db2.gz LJBIGVKAIANGGB-ARFHVFGLSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671101775 484244064 /nfs/dbraw/zinc/24/40/64/484244064.db2.gz LJBIGVKAIANGGB-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671101775 484244062 /nfs/dbraw/zinc/24/40/62/484244062.db2.gz LJBIGVKAIANGGB-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671101775 484244060 /nfs/dbraw/zinc/24/40/60/484244060.db2.gz LJBIGVKAIANGGB-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671101778 484244137 /nfs/dbraw/zinc/24/41/37/484244137.db2.gz LJBIGVKAIANGGB-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671101778 484244131 /nfs/dbraw/zinc/24/41/31/484244131.db2.gz LJBIGVKAIANGGB-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671101778 484244123 /nfs/dbraw/zinc/24/41/23/484244123.db2.gz LJBIGVKAIANGGB-HRCADAONSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671101780 484243337 /nfs/dbraw/zinc/24/33/37/484243337.db2.gz LJBIGVKAIANGGB-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671101780 484243332 /nfs/dbraw/zinc/24/33/32/484243332.db2.gz LJBIGVKAIANGGB-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671101780 484243325 /nfs/dbraw/zinc/24/33/25/484243325.db2.gz LJBIGVKAIANGGB-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000671104417 484246926 /nfs/dbraw/zinc/24/69/26/484246926.db2.gz OBZPRTHPLHPZOV-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000671104417 484246924 /nfs/dbraw/zinc/24/69/24/484246924.db2.gz OBZPRTHPLHPZOV-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000671104418 484247115 /nfs/dbraw/zinc/24/71/15/484247115.db2.gz OBZPRTHPLHPZOV-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000671104418 484247107 /nfs/dbraw/zinc/24/71/07/484247107.db2.gz OBZPRTHPLHPZOV-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000671104419 484246831 /nfs/dbraw/zinc/24/68/31/484246831.db2.gz OBZPRTHPLHPZOV-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000671104419 484246830 /nfs/dbraw/zinc/24/68/30/484246830.db2.gz OBZPRTHPLHPZOV-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000671104420 484247430 /nfs/dbraw/zinc/24/74/30/484247430.db2.gz OBZPRTHPLHPZOV-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000671104420 484247424 /nfs/dbraw/zinc/24/74/24/484247424.db2.gz OBZPRTHPLHPZOV-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250487 /nfs/dbraw/zinc/25/04/87/484250487.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250483 /nfs/dbraw/zinc/25/04/83/484250483.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250478 /nfs/dbraw/zinc/25/04/78/484250478.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250151 /nfs/dbraw/zinc/25/01/51/484250151.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250147 /nfs/dbraw/zinc/25/01/47/484250147.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250143 /nfs/dbraw/zinc/25/01/43/484250143.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250395 /nfs/dbraw/zinc/25/03/95/484250395.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250393 /nfs/dbraw/zinc/25/03/93/484250393.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250389 /nfs/dbraw/zinc/25/03/89/484250389.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249227 /nfs/dbraw/zinc/24/92/27/484249227.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249221 /nfs/dbraw/zinc/24/92/21/484249221.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249214 /nfs/dbraw/zinc/24/92/14/484249214.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 2 1 365.522 -0.128 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671107999 484250296 /nfs/dbraw/zinc/25/02/96/484250296.db2.gz MSASGGJMSUPTLJ-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671107999 484250295 /nfs/dbraw/zinc/25/02/95/484250295.db2.gz MSASGGJMSUPTLJ-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671108000 484250105 /nfs/dbraw/zinc/25/01/05/484250105.db2.gz MSASGGJMSUPTLJ-BRWVUGGUSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671108000 484250102 /nfs/dbraw/zinc/25/01/02/484250102.db2.gz MSASGGJMSUPTLJ-BRWVUGGUSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671108002 484250361 /nfs/dbraw/zinc/25/03/61/484250361.db2.gz MSASGGJMSUPTLJ-GVDBMIGSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671108002 484250360 /nfs/dbraw/zinc/25/03/60/484250360.db2.gz MSASGGJMSUPTLJ-GVDBMIGSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671108005 484249601 /nfs/dbraw/zinc/24/96/01/484249601.db2.gz MSASGGJMSUPTLJ-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671108005 484249596 /nfs/dbraw/zinc/24/95/96/484249596.db2.gz MSASGGJMSUPTLJ-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671108805 484250033 /nfs/dbraw/zinc/25/00/33/484250033.db2.gz VAWCGGCOMUBLMY-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671108805 484250030 /nfs/dbraw/zinc/25/00/30/484250030.db2.gz VAWCGGCOMUBLMY-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671108806 484250204 /nfs/dbraw/zinc/25/02/04/484250204.db2.gz VAWCGGCOMUBLMY-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671108806 484250200 /nfs/dbraw/zinc/25/02/00/484250200.db2.gz VAWCGGCOMUBLMY-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671108807 484249115 /nfs/dbraw/zinc/24/91/15/484249115.db2.gz VAWCGGCOMUBLMY-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671108807 484249109 /nfs/dbraw/zinc/24/91/09/484249109.db2.gz VAWCGGCOMUBLMY-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671108809 484249784 /nfs/dbraw/zinc/24/97/84/484249784.db2.gz VAWCGGCOMUBLMY-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671108809 484249777 /nfs/dbraw/zinc/24/97/77/484249777.db2.gz VAWCGGCOMUBLMY-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671134661 484525780 /nfs/dbraw/zinc/52/57/80/484525780.db2.gz HDZVINGGLUCPLC-UHFFFAOYSA-N 2 1 363.462 -0.185 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000671172654 484593382 /nfs/dbraw/zinc/59/33/82/484593382.db2.gz HLXUGGPYGCWDPZ-CVEARBPZSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000671172655 484594008 /nfs/dbraw/zinc/59/40/08/484594008.db2.gz HLXUGGPYGCWDPZ-HOTGVXAUSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000671172656 484592710 /nfs/dbraw/zinc/59/27/10/484592710.db2.gz HLXUGGPYGCWDPZ-HZPDHXFCSA-N 2 1 367.538 -0.167 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000671172657 484593193 /nfs/dbraw/zinc/59/31/93/484593193.db2.gz HLXUGGPYGCWDPZ-JKSUJKDBSA-N 2 1 367.538 -0.167 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172718 484592956 /nfs/dbraw/zinc/59/29/56/484592956.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172718 484592947 /nfs/dbraw/zinc/59/29/47/484592947.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172718 484592941 /nfs/dbraw/zinc/59/29/41/484592941.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172719 484592993 /nfs/dbraw/zinc/59/29/93/484592993.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172719 484592985 /nfs/dbraw/zinc/59/29/85/484592985.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172719 484592980 /nfs/dbraw/zinc/59/29/80/484592980.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172720 484592909 /nfs/dbraw/zinc/59/29/09/484592909.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172720 484592903 /nfs/dbraw/zinc/59/29/03/484592903.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172720 484592898 /nfs/dbraw/zinc/59/28/98/484592898.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172721 484593870 /nfs/dbraw/zinc/59/38/70/484593870.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000671172721 484593865 /nfs/dbraw/zinc/59/38/65/484593865.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172721 484593861 /nfs/dbraw/zinc/59/38/61/484593861.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 2 1 367.538 -0.214 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000671173520 484595313 /nfs/dbraw/zinc/59/53/13/484595313.db2.gz ZGHVWDXFZVYOEK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000671173520 484595307 /nfs/dbraw/zinc/59/53/07/484595307.db2.gz ZGHVWDXFZVYOEK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000671173520 484595302 /nfs/dbraw/zinc/59/53/02/484595302.db2.gz ZGHVWDXFZVYOEK-INIZCTEOSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000671173521 484595485 /nfs/dbraw/zinc/59/54/85/484595485.db2.gz ZGHVWDXFZVYOEK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000671173521 484595479 /nfs/dbraw/zinc/59/54/79/484595479.db2.gz ZGHVWDXFZVYOEK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000671173521 484595475 /nfs/dbraw/zinc/59/54/75/484595475.db2.gz ZGHVWDXFZVYOEK-MRXNPFEDSA-N 2 1 367.538 -0.071 20 0 FBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000671173841 484596721 /nfs/dbraw/zinc/59/67/21/484596721.db2.gz NQXIQJHJPNRGNN-KRWDZBQOSA-N 2 1 367.538 -0.070 20 0 FBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000671173842 484596510 /nfs/dbraw/zinc/59/65/10/484596510.db2.gz NQXIQJHJPNRGNN-QGZVFWFLSA-N 2 1 367.538 -0.070 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671182720 484599134 /nfs/dbraw/zinc/59/91/34/484599134.db2.gz NSTMSXKWNMRYFE-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671182720 484599129 /nfs/dbraw/zinc/59/91/29/484599129.db2.gz NSTMSXKWNMRYFE-BBWFWOEESA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671182721 484599082 /nfs/dbraw/zinc/59/90/82/484599082.db2.gz NSTMSXKWNMRYFE-BRWVUGGUSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671182721 484599077 /nfs/dbraw/zinc/59/90/77/484599077.db2.gz NSTMSXKWNMRYFE-BRWVUGGUSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671182722 484598817 /nfs/dbraw/zinc/59/88/17/484598817.db2.gz NSTMSXKWNMRYFE-GVDBMIGSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671182722 484598809 /nfs/dbraw/zinc/59/88/09/484598809.db2.gz NSTMSXKWNMRYFE-GVDBMIGSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671182723 484598788 /nfs/dbraw/zinc/59/87/88/484598788.db2.gz NSTMSXKWNMRYFE-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671182723 484598779 /nfs/dbraw/zinc/59/87/79/484598779.db2.gz NSTMSXKWNMRYFE-ZACQAIPSSA-N 2 1 364.490 -0.090 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599569 /nfs/dbraw/zinc/59/95/69/484599569.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599563 /nfs/dbraw/zinc/59/95/63/484599563.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599555 /nfs/dbraw/zinc/59/95/55/484599555.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599284 /nfs/dbraw/zinc/59/92/84/484599284.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599280 /nfs/dbraw/zinc/59/92/80/484599280.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599277 /nfs/dbraw/zinc/59/92/77/484599277.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598861 /nfs/dbraw/zinc/59/88/61/484598861.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598854 /nfs/dbraw/zinc/59/88/54/484598854.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598848 /nfs/dbraw/zinc/59/88/48/484598848.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599173 /nfs/dbraw/zinc/59/91/73/484599173.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599170 /nfs/dbraw/zinc/59/91/70/484599170.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599167 /nfs/dbraw/zinc/59/91/67/484599167.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 2 1 365.522 -0.127 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671373639 484545328 /nfs/dbraw/zinc/54/53/28/484545328.db2.gz XWEOGNLUALKVLK-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671373640 484546221 /nfs/dbraw/zinc/54/62/21/484546221.db2.gz XWEOGNLUALKVLK-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671374293 484545467 /nfs/dbraw/zinc/54/54/67/484545467.db2.gz VTEKSHKKQMJTGR-DZGCQCFKSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671374293 484545460 /nfs/dbraw/zinc/54/54/60/484545460.db2.gz VTEKSHKKQMJTGR-DZGCQCFKSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671374294 484546489 /nfs/dbraw/zinc/54/64/89/484546489.db2.gz VTEKSHKKQMJTGR-HIFRSBDPSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671374294 484546482 /nfs/dbraw/zinc/54/64/82/484546482.db2.gz VTEKSHKKQMJTGR-HIFRSBDPSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671374295 484546100 /nfs/dbraw/zinc/54/61/00/484546100.db2.gz VTEKSHKKQMJTGR-UKRRQHHQSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671374295 484546095 /nfs/dbraw/zinc/54/60/95/484546095.db2.gz VTEKSHKKQMJTGR-UKRRQHHQSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671374296 484546648 /nfs/dbraw/zinc/54/66/48/484546648.db2.gz VTEKSHKKQMJTGR-ZFWWWQNUSA-N 2 1 356.467 -0.951 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671374296 484546637 /nfs/dbraw/zinc/54/66/37/484546637.db2.gz VTEKSHKKQMJTGR-ZFWWWQNUSA-N 2 1 356.467 -0.951 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000671375953 484561957 /nfs/dbraw/zinc/56/19/57/484561957.db2.gz JPDPIXUKNYBHQD-HNNXBMFYSA-N 2 1 354.495 -0.081 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000671375954 484562380 /nfs/dbraw/zinc/56/23/80/484562380.db2.gz JPDPIXUKNYBHQD-OAHLLOKOSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671399328 484868903 /nfs/dbraw/zinc/86/89/03/484868903.db2.gz XVDIIPVAOSYGQK-PBHICJAKSA-N 2 1 360.458 -0.046 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000671399329 484869258 /nfs/dbraw/zinc/86/92/58/484869258.db2.gz XVDIIPVAOSYGQK-RHSMWYFYSA-N 2 1 360.458 -0.046 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000671399330 484869862 /nfs/dbraw/zinc/86/98/62/484869862.db2.gz XVDIIPVAOSYGQK-WMLDXEAASA-N 2 1 360.458 -0.046 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671399331 484869779 /nfs/dbraw/zinc/86/97/79/484869779.db2.gz XVDIIPVAOSYGQK-YOEHRIQHSA-N 2 1 360.458 -0.046 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000671418585 484891704 /nfs/dbraw/zinc/89/17/04/484891704.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000671418585 484891698 /nfs/dbraw/zinc/89/16/98/484891698.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000671418585 484891689 /nfs/dbraw/zinc/89/16/89/484891689.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000671418586 484890619 /nfs/dbraw/zinc/89/06/19/484890619.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000671418586 484890614 /nfs/dbraw/zinc/89/06/14/484890614.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000671418586 484890610 /nfs/dbraw/zinc/89/06/10/484890610.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671418591 484891127 /nfs/dbraw/zinc/89/11/27/484891127.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671418591 484891121 /nfs/dbraw/zinc/89/11/21/484891121.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671418591 484891115 /nfs/dbraw/zinc/89/11/15/484891115.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671418591 484891109 /nfs/dbraw/zinc/89/11/09/484891109.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671418591 484891103 /nfs/dbraw/zinc/89/11/03/484891103.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671418592 484890997 /nfs/dbraw/zinc/89/09/97/484890997.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671418592 484890992 /nfs/dbraw/zinc/89/09/92/484890992.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671418592 484890985 /nfs/dbraw/zinc/89/09/85/484890985.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671418592 484890980 /nfs/dbraw/zinc/89/09/80/484890980.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671418592 484890976 /nfs/dbraw/zinc/89/09/76/484890976.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000671418636 484891188 /nfs/dbraw/zinc/89/11/88/484891188.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000671418636 484891184 /nfs/dbraw/zinc/89/11/84/484891184.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)CC1 ZINC000671418636 484891179 /nfs/dbraw/zinc/89/11/79/484891179.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)CC1 ZINC000671418636 484891171 /nfs/dbraw/zinc/89/11/71/484891171.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000671418636 484891166 /nfs/dbraw/zinc/89/11/66/484891166.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000671418637 484890852 /nfs/dbraw/zinc/89/08/52/484890852.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000671418637 484890848 /nfs/dbraw/zinc/89/08/48/484890848.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)CC1 ZINC000671418637 484890844 /nfs/dbraw/zinc/89/08/44/484890844.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)CC1 ZINC000671418637 484890838 /nfs/dbraw/zinc/89/08/38/484890838.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000671418637 484890832 /nfs/dbraw/zinc/89/08/32/484890832.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000671816963 483443049 /nfs/dbraw/zinc/44/30/49/483443049.db2.gz HWPLXWBWSIGMSG-DOTOQJQBSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000671816963 483443043 /nfs/dbraw/zinc/44/30/43/483443043.db2.gz HWPLXWBWSIGMSG-DOTOQJQBSA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816963 483443039 /nfs/dbraw/zinc/44/30/39/483443039.db2.gz HWPLXWBWSIGMSG-DOTOQJQBSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000671816964 483446230 /nfs/dbraw/zinc/44/62/30/483446230.db2.gz HWPLXWBWSIGMSG-NVXWUHKLSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000671816964 483446226 /nfs/dbraw/zinc/44/62/26/483446226.db2.gz HWPLXWBWSIGMSG-NVXWUHKLSA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816964 483446221 /nfs/dbraw/zinc/44/62/21/483446221.db2.gz HWPLXWBWSIGMSG-NVXWUHKLSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000671816965 483446257 /nfs/dbraw/zinc/44/62/57/483446257.db2.gz HWPLXWBWSIGMSG-RDJZCZTQSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000671816965 483446254 /nfs/dbraw/zinc/44/62/54/483446254.db2.gz HWPLXWBWSIGMSG-RDJZCZTQSA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816965 483446248 /nfs/dbraw/zinc/44/62/48/483446248.db2.gz HWPLXWBWSIGMSG-RDJZCZTQSA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000671816966 483445611 /nfs/dbraw/zinc/44/56/11/483445611.db2.gz HWPLXWBWSIGMSG-WBVHZDCISA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000671816966 483445605 /nfs/dbraw/zinc/44/56/05/483445605.db2.gz HWPLXWBWSIGMSG-WBVHZDCISA-N 2 1 363.506 -0.422 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816966 483445598 /nfs/dbraw/zinc/44/55/98/483445598.db2.gz HWPLXWBWSIGMSG-WBVHZDCISA-N 2 1 363.506 -0.422 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000671817001 483470421 /nfs/dbraw/zinc/47/04/21/483470421.db2.gz LJXQRFOJFZCKGB-CABCVRRESA-N 2 1 363.506 -0.376 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000671817006 483470506 /nfs/dbraw/zinc/47/05/06/483470506.db2.gz LJXQRFOJFZCKGB-GJZGRUSLSA-N 2 1 363.506 -0.376 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000671817007 483471699 /nfs/dbraw/zinc/47/16/99/483471699.db2.gz LJXQRFOJFZCKGB-HUUCEWRRSA-N 2 1 363.506 -0.376 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000671817008 483471803 /nfs/dbraw/zinc/47/18/03/483471803.db2.gz LJXQRFOJFZCKGB-LSDHHAIUSA-N 2 1 363.506 -0.376 20 0 FBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671817112 483593240 /nfs/dbraw/zinc/59/32/40/483593240.db2.gz VXELNYRRWVLAKU-AWEZNQCLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671817113 483594319 /nfs/dbraw/zinc/59/43/19/483594319.db2.gz VXELNYRRWVLAKU-CQSZACIVSA-N 2 1 352.479 -0.092 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671817357 483795175 /nfs/dbraw/zinc/79/51/75/483795175.db2.gz YOUZUZXPHRJLOO-AWEZNQCLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671817357 483795172 /nfs/dbraw/zinc/79/51/72/483795172.db2.gz YOUZUZXPHRJLOO-AWEZNQCLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671817358 483794908 /nfs/dbraw/zinc/79/49/08/483794908.db2.gz YOUZUZXPHRJLOO-CQSZACIVSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671817358 483794904 /nfs/dbraw/zinc/79/49/04/483794904.db2.gz YOUZUZXPHRJLOO-CQSZACIVSA-N 2 1 350.463 -0.338 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820617 484484751 /nfs/dbraw/zinc/48/47/51/484484751.db2.gz RWSVKRFUIYNQRU-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820617 484484748 /nfs/dbraw/zinc/48/47/48/484484748.db2.gz RWSVKRFUIYNQRU-CABCVRRESA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820618 484484562 /nfs/dbraw/zinc/48/45/62/484484562.db2.gz RWSVKRFUIYNQRU-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820618 484484560 /nfs/dbraw/zinc/48/45/60/484484560.db2.gz RWSVKRFUIYNQRU-GJZGRUSLSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820619 484484413 /nfs/dbraw/zinc/48/44/13/484484413.db2.gz RWSVKRFUIYNQRU-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820619 484484410 /nfs/dbraw/zinc/48/44/10/484484410.db2.gz RWSVKRFUIYNQRU-HUUCEWRRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820620 484484451 /nfs/dbraw/zinc/48/44/51/484484451.db2.gz RWSVKRFUIYNQRU-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820620 484484448 /nfs/dbraw/zinc/48/44/48/484484448.db2.gz RWSVKRFUIYNQRU-LSDHHAIUSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671820659 484485502 /nfs/dbraw/zinc/48/55/02/484485502.db2.gz ZKGHZKNOBOWIGG-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671820660 484485405 /nfs/dbraw/zinc/48/54/05/484485405.db2.gz ZKGHZKNOBOWIGG-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671820661 484486231 /nfs/dbraw/zinc/48/62/31/484486231.db2.gz ZKGHZKNOBOWIGG-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671820662 484485750 /nfs/dbraw/zinc/48/57/50/484485750.db2.gz ZKGHZKNOBOWIGG-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671950802 483472957 /nfs/dbraw/zinc/47/29/57/483472957.db2.gz YHTIXKIXAQVGSB-INIZCTEOSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671950803 483472991 /nfs/dbraw/zinc/47/29/91/483472991.db2.gz YHTIXKIXAQVGSB-MRXNPFEDSA-N 2 1 365.522 -0.128 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960237 484607133 /nfs/dbraw/zinc/60/71/33/484607133.db2.gz XVDNOLGGXCFTPR-GDBMZVCRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960237 484607132 /nfs/dbraw/zinc/60/71/32/484607132.db2.gz XVDNOLGGXCFTPR-GDBMZVCRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960238 484607023 /nfs/dbraw/zinc/60/70/23/484607023.db2.gz XVDNOLGGXCFTPR-GOEBONIOSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960238 484607020 /nfs/dbraw/zinc/60/70/20/484607020.db2.gz XVDNOLGGXCFTPR-GOEBONIOSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960239 484607147 /nfs/dbraw/zinc/60/71/47/484607147.db2.gz XVDNOLGGXCFTPR-HOCLYGCPSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960239 484607145 /nfs/dbraw/zinc/60/71/45/484607145.db2.gz XVDNOLGGXCFTPR-HOCLYGCPSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960240 484608020 /nfs/dbraw/zinc/60/80/20/484608020.db2.gz XVDNOLGGXCFTPR-ZBFHGGJFSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000671960240 484608012 /nfs/dbraw/zinc/60/80/12/484608012.db2.gz XVDNOLGGXCFTPR-ZBFHGGJFSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000671960607 483537356 /nfs/dbraw/zinc/53/73/56/483537356.db2.gz KLQPQFIURMUDKM-CABCVRRESA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000671960608 483537800 /nfs/dbraw/zinc/53/78/00/483537800.db2.gz KLQPQFIURMUDKM-GJZGRUSLSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000671960609 483537499 /nfs/dbraw/zinc/53/74/99/483537499.db2.gz KLQPQFIURMUDKM-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000671960610 483538995 /nfs/dbraw/zinc/53/89/95/483538995.db2.gz KLQPQFIURMUDKM-LSDHHAIUSA-N 2 1 354.495 -0.083 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671962584 483578822 /nfs/dbraw/zinc/57/88/22/483578822.db2.gz AWWAZDDMPVVCES-INIZCTEOSA-N 2 1 362.478 -0.454 20 0 FBADMP Cc1nccn1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671962584 483578816 /nfs/dbraw/zinc/57/88/16/483578816.db2.gz AWWAZDDMPVVCES-INIZCTEOSA-N 2 1 362.478 -0.454 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671962585 483579088 /nfs/dbraw/zinc/57/90/88/483579088.db2.gz AWWAZDDMPVVCES-MRXNPFEDSA-N 2 1 362.478 -0.454 20 0 FBADMP Cc1nccn1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671962585 483579082 /nfs/dbraw/zinc/57/90/82/483579082.db2.gz AWWAZDDMPVVCES-MRXNPFEDSA-N 2 1 362.478 -0.454 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000671963338 484607304 /nfs/dbraw/zinc/60/73/04/484607304.db2.gz SCAGWTXFOHYFPU-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000671963338 484607299 /nfs/dbraw/zinc/60/72/99/484607299.db2.gz SCAGWTXFOHYFPU-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000671963338 484607296 /nfs/dbraw/zinc/60/72/96/484607296.db2.gz SCAGWTXFOHYFPU-UHFFFAOYSA-N 2 1 355.527 -0.023 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000671963404 483584698 /nfs/dbraw/zinc/58/46/98/483584698.db2.gz PPSKAINXCFTXGF-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000671963404 483584693 /nfs/dbraw/zinc/58/46/93/483584693.db2.gz PPSKAINXCFTXGF-UHFFFAOYSA-N 2 1 369.510 -0.497 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672007400 484610098 /nfs/dbraw/zinc/61/00/98/484610098.db2.gz IHPUMNCYHDSQLM-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672007400 484610092 /nfs/dbraw/zinc/61/00/92/484610092.db2.gz IHPUMNCYHDSQLM-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672007404 484610429 /nfs/dbraw/zinc/61/04/29/484610429.db2.gz IHPUMNCYHDSQLM-KKUMJFAQSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672007404 484610422 /nfs/dbraw/zinc/61/04/22/484610422.db2.gz IHPUMNCYHDSQLM-KKUMJFAQSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672007405 484610895 /nfs/dbraw/zinc/61/08/95/484610895.db2.gz IHPUMNCYHDSQLM-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672007405 484610889 /nfs/dbraw/zinc/61/08/89/484610889.db2.gz IHPUMNCYHDSQLM-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672007406 483902545 /nfs/dbraw/zinc/90/25/45/483902545.db2.gz IHPUMNCYHDSQLM-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672007406 483902541 /nfs/dbraw/zinc/90/25/41/483902541.db2.gz IHPUMNCYHDSQLM-SOUVJXGZSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CC[NH+](C)CC1 ZINC000672009229 483933394 /nfs/dbraw/zinc/93/33/94/483933394.db2.gz FRQSZTDQQHGIJU-AWEZNQCLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CC[NH+](C)CC1 ZINC000672009230 483933651 /nfs/dbraw/zinc/93/36/51/483933651.db2.gz FRQSZTDQQHGIJU-CQSZACIVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672009855 483952224 /nfs/dbraw/zinc/95/22/24/483952224.db2.gz SFPVEEKKSPEHFZ-HNNXBMFYSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672009858 483952927 /nfs/dbraw/zinc/95/29/27/483952927.db2.gz SFPVEEKKSPEHFZ-OAHLLOKOSA-N 2 1 367.538 -0.025 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C1CC[NH+](C)CC1 ZINC000672015525 484105880 /nfs/dbraw/zinc/10/58/80/484105880.db2.gz XWJKVOPNZIVOOU-GFCCVEGCSA-N 2 1 350.467 -0.051 20 0 FBADMP C[C@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C1CC[NH+](C)CC1 ZINC000672015526 484106236 /nfs/dbraw/zinc/10/62/36/484106236.db2.gz XWJKVOPNZIVOOU-LBPRGKRZSA-N 2 1 350.467 -0.051 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100589 484280094 /nfs/dbraw/zinc/28/00/94/484280094.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100589 484280087 /nfs/dbraw/zinc/28/00/87/484280087.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100589 484280082 /nfs/dbraw/zinc/28/00/82/484280082.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100589 484280075 /nfs/dbraw/zinc/28/00/75/484280075.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672100589 484280067 /nfs/dbraw/zinc/28/00/67/484280067.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100590 484280458 /nfs/dbraw/zinc/28/04/58/484280458.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100590 484280454 /nfs/dbraw/zinc/28/04/54/484280454.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100590 484280451 /nfs/dbraw/zinc/28/04/51/484280451.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672100590 484280447 /nfs/dbraw/zinc/28/04/47/484280447.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672100590 484280443 /nfs/dbraw/zinc/28/04/43/484280443.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000672100623 484282190 /nfs/dbraw/zinc/28/21/90/484282190.db2.gz MKQMWGCJCXILSO-KRWDZBQOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000672100624 484282262 /nfs/dbraw/zinc/28/22/62/484282262.db2.gz MKQMWGCJCXILSO-QGZVFWFLSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672111598 484616770 /nfs/dbraw/zinc/61/67/70/484616770.db2.gz GMTMLSIINAJPNM-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672111598 484616763 /nfs/dbraw/zinc/61/67/63/484616763.db2.gz GMTMLSIINAJPNM-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672111598 484616757 /nfs/dbraw/zinc/61/67/57/484616757.db2.gz GMTMLSIINAJPNM-CABCVRRESA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672111599 484618099 /nfs/dbraw/zinc/61/80/99/484618099.db2.gz GMTMLSIINAJPNM-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672111599 484618093 /nfs/dbraw/zinc/61/80/93/484618093.db2.gz GMTMLSIINAJPNM-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672111599 484618090 /nfs/dbraw/zinc/61/80/90/484618090.db2.gz GMTMLSIINAJPNM-GJZGRUSLSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672111600 484616664 /nfs/dbraw/zinc/61/66/64/484616664.db2.gz GMTMLSIINAJPNM-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672111600 484616657 /nfs/dbraw/zinc/61/66/57/484616657.db2.gz GMTMLSIINAJPNM-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672111600 484616650 /nfs/dbraw/zinc/61/66/50/484616650.db2.gz GMTMLSIINAJPNM-HUUCEWRRSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672111601 484617242 /nfs/dbraw/zinc/61/72/42/484617242.db2.gz GMTMLSIINAJPNM-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672111601 484617234 /nfs/dbraw/zinc/61/72/34/484617234.db2.gz GMTMLSIINAJPNM-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672111601 484617231 /nfs/dbraw/zinc/61/72/31/484617231.db2.gz GMTMLSIINAJPNM-LSDHHAIUSA-N 2 1 367.494 -0.744 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672164367 485197353 /nfs/dbraw/zinc/19/73/53/485197353.db2.gz DREIVEVXHZYNJL-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672164367 485197351 /nfs/dbraw/zinc/19/73/51/485197351.db2.gz DREIVEVXHZYNJL-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672164367 485197348 /nfs/dbraw/zinc/19/73/48/485197348.db2.gz DREIVEVXHZYNJL-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672164368 485197148 /nfs/dbraw/zinc/19/71/48/485197148.db2.gz DREIVEVXHZYNJL-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672164368 485197146 /nfs/dbraw/zinc/19/71/46/485197146.db2.gz DREIVEVXHZYNJL-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672164368 485197140 /nfs/dbraw/zinc/19/71/40/485197140.db2.gz DREIVEVXHZYNJL-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672164369 485197282 /nfs/dbraw/zinc/19/72/82/485197282.db2.gz DREIVEVXHZYNJL-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672164369 485197280 /nfs/dbraw/zinc/19/72/80/485197280.db2.gz DREIVEVXHZYNJL-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672164369 485197277 /nfs/dbraw/zinc/19/72/77/485197277.db2.gz DREIVEVXHZYNJL-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672164370 485197694 /nfs/dbraw/zinc/19/76/94/485197694.db2.gz DREIVEVXHZYNJL-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672164370 485197688 /nfs/dbraw/zinc/19/76/88/485197688.db2.gz DREIVEVXHZYNJL-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672164370 485197685 /nfs/dbraw/zinc/19/76/85/485197685.db2.gz DREIVEVXHZYNJL-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672166181 484619655 /nfs/dbraw/zinc/61/96/55/484619655.db2.gz ZFCDVAQOWYNFHP-GDBMZVCRSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672166181 484619648 /nfs/dbraw/zinc/61/96/48/484619648.db2.gz ZFCDVAQOWYNFHP-GDBMZVCRSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672166182 484618947 /nfs/dbraw/zinc/61/89/47/484618947.db2.gz ZFCDVAQOWYNFHP-GOEBONIOSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672166182 484618944 /nfs/dbraw/zinc/61/89/44/484618944.db2.gz ZFCDVAQOWYNFHP-GOEBONIOSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672166183 484619523 /nfs/dbraw/zinc/61/95/23/484619523.db2.gz ZFCDVAQOWYNFHP-HOCLYGCPSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672166183 484619517 /nfs/dbraw/zinc/61/95/17/484619517.db2.gz ZFCDVAQOWYNFHP-HOCLYGCPSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672166184 485236648 /nfs/dbraw/zinc/23/66/48/485236648.db2.gz ZFCDVAQOWYNFHP-ZBFHGGJFSA-N 2 1 370.494 -0.561 20 0 FBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672166184 485236645 /nfs/dbraw/zinc/23/66/45/485236645.db2.gz ZFCDVAQOWYNFHP-ZBFHGGJFSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000672207633 484620738 /nfs/dbraw/zinc/62/07/38/484620738.db2.gz MJAIUOWMZXCJJI-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@H+](C)C1CC1 ZINC000672207633 484620731 /nfs/dbraw/zinc/62/07/31/484620731.db2.gz MJAIUOWMZXCJJI-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207633 484620728 /nfs/dbraw/zinc/62/07/28/484620728.db2.gz MJAIUOWMZXCJJI-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000672207634 484621188 /nfs/dbraw/zinc/62/11/88/484621188.db2.gz MJAIUOWMZXCJJI-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@H+](C)C1CC1 ZINC000672207634 484621184 /nfs/dbraw/zinc/62/11/84/484621184.db2.gz MJAIUOWMZXCJJI-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207634 484621180 /nfs/dbraw/zinc/62/11/80/484621180.db2.gz MJAIUOWMZXCJJI-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000672207635 484621458 /nfs/dbraw/zinc/62/14/58/484621458.db2.gz MJAIUOWMZXCJJI-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@H+](C)C1CC1 ZINC000672207635 484621455 /nfs/dbraw/zinc/62/14/55/484621455.db2.gz MJAIUOWMZXCJJI-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207635 484621450 /nfs/dbraw/zinc/62/14/50/484621450.db2.gz MJAIUOWMZXCJJI-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000672207636 484620688 /nfs/dbraw/zinc/62/06/88/484620688.db2.gz MJAIUOWMZXCJJI-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@H+](C)C1CC1 ZINC000672207636 484620682 /nfs/dbraw/zinc/62/06/82/484620682.db2.gz MJAIUOWMZXCJJI-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207636 484620677 /nfs/dbraw/zinc/62/06/77/484620677.db2.gz MJAIUOWMZXCJJI-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207688 484620549 /nfs/dbraw/zinc/62/05/49/484620549.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207688 484620540 /nfs/dbraw/zinc/62/05/40/484620540.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207688 484620536 /nfs/dbraw/zinc/62/05/36/484620536.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207688 484620531 /nfs/dbraw/zinc/62/05/31/484620531.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207688 484620523 /nfs/dbraw/zinc/62/05/23/484620523.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207689 484621307 /nfs/dbraw/zinc/62/13/07/484621307.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207689 484621306 /nfs/dbraw/zinc/62/13/06/484621306.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207689 484621303 /nfs/dbraw/zinc/62/13/03/484621303.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207689 484621300 /nfs/dbraw/zinc/62/13/00/484621300.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207689 484621297 /nfs/dbraw/zinc/62/12/97/484621297.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207690 484620416 /nfs/dbraw/zinc/62/04/16/484620416.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207690 484620412 /nfs/dbraw/zinc/62/04/12/484620412.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207690 484620408 /nfs/dbraw/zinc/62/04/08/484620408.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207690 484620403 /nfs/dbraw/zinc/62/04/03/484620403.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207690 484620400 /nfs/dbraw/zinc/62/04/00/484620400.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207691 484621352 /nfs/dbraw/zinc/62/13/52/484621352.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207691 484621349 /nfs/dbraw/zinc/62/13/49/484621349.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207691 484621346 /nfs/dbraw/zinc/62/13/46/484621346.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672207691 484621344 /nfs/dbraw/zinc/62/13/44/484621344.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672207691 484621340 /nfs/dbraw/zinc/62/13/40/484621340.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 1 365.522 -0.130 20 0 FBADMP COCC[NH+](CCOC)C1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000672256847 484622044 /nfs/dbraw/zinc/62/20/44/484622044.db2.gz SAPYESYRTPNMOL-UHFFFAOYSA-N 2 1 356.511 -0.180 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304377 484627559 /nfs/dbraw/zinc/62/75/59/484627559.db2.gz RTHJYNFWHHLPDC-DLBZAZTESA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304377 484627553 /nfs/dbraw/zinc/62/75/53/484627553.db2.gz RTHJYNFWHHLPDC-DLBZAZTESA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304378 484627229 /nfs/dbraw/zinc/62/72/29/484627229.db2.gz RTHJYNFWHHLPDC-IAGOWNOFSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304378 484627223 /nfs/dbraw/zinc/62/72/23/484627223.db2.gz RTHJYNFWHHLPDC-IAGOWNOFSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304379 484628080 /nfs/dbraw/zinc/62/80/80/484628080.db2.gz RTHJYNFWHHLPDC-IRXDYDNUSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304379 484628075 /nfs/dbraw/zinc/62/80/75/484628075.db2.gz RTHJYNFWHHLPDC-IRXDYDNUSA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304380 484626306 /nfs/dbraw/zinc/62/63/06/484626306.db2.gz RTHJYNFWHHLPDC-SJORKVTESA-N 2 1 364.490 -0.232 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304380 484626300 /nfs/dbraw/zinc/62/63/00/484626300.db2.gz RTHJYNFWHHLPDC-SJORKVTESA-N 2 1 364.490 -0.232 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672304835 485137125 /nfs/dbraw/zinc/13/71/25/485137125.db2.gz MZXHXYWIPKZLQH-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672304835 485137120 /nfs/dbraw/zinc/13/71/20/485137120.db2.gz MZXHXYWIPKZLQH-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672304835 485137114 /nfs/dbraw/zinc/13/71/14/485137114.db2.gz MZXHXYWIPKZLQH-INIZCTEOSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672304836 485136834 /nfs/dbraw/zinc/13/68/34/485136834.db2.gz MZXHXYWIPKZLQH-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672304836 485136831 /nfs/dbraw/zinc/13/68/31/485136831.db2.gz MZXHXYWIPKZLQH-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672304836 485136826 /nfs/dbraw/zinc/13/68/26/485136826.db2.gz MZXHXYWIPKZLQH-MRXNPFEDSA-N 2 1 366.506 -0.108 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1(C)C ZINC000672305158 484627531 /nfs/dbraw/zinc/62/75/31/484627531.db2.gz DMZWPMVKVDMYHX-INIZCTEOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1(C)C ZINC000672305158 484627524 /nfs/dbraw/zinc/62/75/24/484627524.db2.gz DMZWPMVKVDMYHX-INIZCTEOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000672305158 484627520 /nfs/dbraw/zinc/62/75/20/484627520.db2.gz DMZWPMVKVDMYHX-INIZCTEOSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1(C)C ZINC000672305159 484626430 /nfs/dbraw/zinc/62/64/30/484626430.db2.gz DMZWPMVKVDMYHX-MRXNPFEDSA-N 2 1 365.522 -0.271 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1(C)C ZINC000672305159 484626428 /nfs/dbraw/zinc/62/64/28/484626428.db2.gz DMZWPMVKVDMYHX-MRXNPFEDSA-N 2 1 365.522 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000672305159 484626422 /nfs/dbraw/zinc/62/64/22/484626422.db2.gz DMZWPMVKVDMYHX-MRXNPFEDSA-N 2 1 365.522 -0.271 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305466 484627189 /nfs/dbraw/zinc/62/71/89/484627189.db2.gz QILOFAFCUQLMBO-KRWDZBQOSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672305466 484627184 /nfs/dbraw/zinc/62/71/84/484627184.db2.gz QILOFAFCUQLMBO-KRWDZBQOSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305466 484627177 /nfs/dbraw/zinc/62/71/77/484627177.db2.gz QILOFAFCUQLMBO-KRWDZBQOSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305467 484626367 /nfs/dbraw/zinc/62/63/67/484626367.db2.gz QILOFAFCUQLMBO-QGZVFWFLSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672305467 484626361 /nfs/dbraw/zinc/62/63/61/484626361.db2.gz QILOFAFCUQLMBO-QGZVFWFLSA-N 2 1 365.522 -0.317 20 0 FBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305467 484626358 /nfs/dbraw/zinc/62/63/58/484626358.db2.gz QILOFAFCUQLMBO-QGZVFWFLSA-N 2 1 365.522 -0.317 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672308440 484627815 /nfs/dbraw/zinc/62/78/15/484627815.db2.gz OBGHAZNHWSTFRV-HNNXBMFYSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308440 484627810 /nfs/dbraw/zinc/62/78/10/484627810.db2.gz OBGHAZNHWSTFRV-HNNXBMFYSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672308441 484626112 /nfs/dbraw/zinc/62/61/12/484626112.db2.gz OBGHAZNHWSTFRV-OAHLLOKOSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308441 484626106 /nfs/dbraw/zinc/62/61/06/484626106.db2.gz OBGHAZNHWSTFRV-OAHLLOKOSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309856 484630394 /nfs/dbraw/zinc/63/03/94/484630394.db2.gz YBSUYTRKTNXOCA-INIZCTEOSA-N 3 1 353.511 -0.461 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309857 484630131 /nfs/dbraw/zinc/63/01/31/484630131.db2.gz YBSUYTRKTNXOCA-MRXNPFEDSA-N 3 1 353.511 -0.461 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310092 485202153 /nfs/dbraw/zinc/20/21/53/485202153.db2.gz GLDKMTUMSIPQES-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310092 485202150 /nfs/dbraw/zinc/20/21/50/485202150.db2.gz GLDKMTUMSIPQES-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672310092 485202147 /nfs/dbraw/zinc/20/21/47/485202147.db2.gz GLDKMTUMSIPQES-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672310092 485202144 /nfs/dbraw/zinc/20/21/44/485202144.db2.gz GLDKMTUMSIPQES-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310093 485201834 /nfs/dbraw/zinc/20/18/34/485201834.db2.gz GLDKMTUMSIPQES-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310093 485201829 /nfs/dbraw/zinc/20/18/29/485201829.db2.gz GLDKMTUMSIPQES-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672310093 485201827 /nfs/dbraw/zinc/20/18/27/485201827.db2.gz GLDKMTUMSIPQES-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672310093 485201823 /nfs/dbraw/zinc/20/18/23/485201823.db2.gz GLDKMTUMSIPQES-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310094 485201925 /nfs/dbraw/zinc/20/19/25/485201925.db2.gz GLDKMTUMSIPQES-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310094 485201921 /nfs/dbraw/zinc/20/19/21/485201921.db2.gz GLDKMTUMSIPQES-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672310094 485201918 /nfs/dbraw/zinc/20/19/18/485201918.db2.gz GLDKMTUMSIPQES-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672310094 485201915 /nfs/dbraw/zinc/20/19/15/485201915.db2.gz GLDKMTUMSIPQES-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310095 485203337 /nfs/dbraw/zinc/20/33/37/485203337.db2.gz GLDKMTUMSIPQES-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1CC(C)(C)O ZINC000672310095 485203330 /nfs/dbraw/zinc/20/33/30/485203330.db2.gz GLDKMTUMSIPQES-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672310095 485203325 /nfs/dbraw/zinc/20/33/25/485203325.db2.gz GLDKMTUMSIPQES-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672310095 485203322 /nfs/dbraw/zinc/20/33/22/485203322.db2.gz GLDKMTUMSIPQES-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672312095 485238588 /nfs/dbraw/zinc/23/85/88/485238588.db2.gz ZQGCVTRNXGZCQD-INIZCTEOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672312095 485238585 /nfs/dbraw/zinc/23/85/85/485238585.db2.gz ZQGCVTRNXGZCQD-INIZCTEOSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672312096 485239507 /nfs/dbraw/zinc/23/95/07/485239507.db2.gz ZQGCVTRNXGZCQD-MRXNPFEDSA-N 2 1 364.490 -0.090 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672312096 485239503 /nfs/dbraw/zinc/23/95/03/485239503.db2.gz ZQGCVTRNXGZCQD-MRXNPFEDSA-N 2 1 364.490 -0.090 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312530 484629207 /nfs/dbraw/zinc/62/92/07/484629207.db2.gz VJEOAJYJMJXQBB-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672312530 484629200 /nfs/dbraw/zinc/62/92/00/484629200.db2.gz VJEOAJYJMJXQBB-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672312530 484629195 /nfs/dbraw/zinc/62/91/95/484629195.db2.gz VJEOAJYJMJXQBB-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672312530 484629189 /nfs/dbraw/zinc/62/91/89/484629189.db2.gz VJEOAJYJMJXQBB-GDBMZVCRSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312531 484629866 /nfs/dbraw/zinc/62/98/66/484629866.db2.gz VJEOAJYJMJXQBB-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672312531 484629864 /nfs/dbraw/zinc/62/98/64/484629864.db2.gz VJEOAJYJMJXQBB-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672312531 484629860 /nfs/dbraw/zinc/62/98/60/484629860.db2.gz VJEOAJYJMJXQBB-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672312531 484629856 /nfs/dbraw/zinc/62/98/56/484629856.db2.gz VJEOAJYJMJXQBB-GOEBONIOSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312532 484630351 /nfs/dbraw/zinc/63/03/51/484630351.db2.gz VJEOAJYJMJXQBB-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672312532 484630341 /nfs/dbraw/zinc/63/03/41/484630341.db2.gz VJEOAJYJMJXQBB-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672312532 484630332 /nfs/dbraw/zinc/63/03/32/484630332.db2.gz VJEOAJYJMJXQBB-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672312532 484630325 /nfs/dbraw/zinc/63/03/25/484630325.db2.gz VJEOAJYJMJXQBB-HOCLYGCPSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312533 484629491 /nfs/dbraw/zinc/62/94/91/484629491.db2.gz VJEOAJYJMJXQBB-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672312533 484629486 /nfs/dbraw/zinc/62/94/86/484629486.db2.gz VJEOAJYJMJXQBB-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672312533 484629478 /nfs/dbraw/zinc/62/94/78/484629478.db2.gz VJEOAJYJMJXQBB-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672312533 484629473 /nfs/dbraw/zinc/62/94/73/484629473.db2.gz VJEOAJYJMJXQBB-ZBFHGGJFSA-N 2 1 366.506 -0.110 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313487 484630221 /nfs/dbraw/zinc/63/02/21/484630221.db2.gz YJVMXTJGQLKACZ-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313488 484628900 /nfs/dbraw/zinc/62/89/00/484628900.db2.gz YJVMXTJGQLKACZ-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)N1CCOCC1 ZINC000672320388 483958483 /nfs/dbraw/zinc/95/84/83/483958483.db2.gz LZFSPDILXCUSGT-QPSCCSFWSA-N 2 1 356.467 -0.953 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672513271 484655662 /nfs/dbraw/zinc/65/56/62/484655662.db2.gz INPCTWRWLUWUJC-HNNXBMFYSA-N 2 1 367.494 -0.744 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672513272 484655348 /nfs/dbraw/zinc/65/53/48/484655348.db2.gz INPCTWRWLUWUJC-OAHLLOKOSA-N 2 1 367.494 -0.744 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)C ZINC000672513379 484655786 /nfs/dbraw/zinc/65/57/86/484655786.db2.gz UNBRYJAJZMTCGG-UHFFFAOYSA-N 2 1 369.510 -0.498 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)C ZINC000672513379 484655781 /nfs/dbraw/zinc/65/57/81/484655781.db2.gz UNBRYJAJZMTCGG-UHFFFAOYSA-N 2 1 369.510 -0.498 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000672524992 484657051 /nfs/dbraw/zinc/65/70/51/484657051.db2.gz BNVWQGMULIOXOX-UHFFFAOYSA-N 2 1 371.445 -0.154 20 0 FBADMP Cc1cc(CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n[nH]1 ZINC000672540562 484657794 /nfs/dbraw/zinc/65/77/94/484657794.db2.gz NDJNYVQHVROXMS-UHFFFAOYSA-N 2 1 350.467 -0.181 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCO3)C2)CC1 ZINC000672558341 484660286 /nfs/dbraw/zinc/66/02/86/484660286.db2.gz NHKNIMSNZDIEBP-KBXCAEBGSA-N 2 1 352.479 -0.044 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCO3)C2)CC1 ZINC000672558341 484660279 /nfs/dbraw/zinc/66/02/79/484660279.db2.gz NHKNIMSNZDIEBP-KBXCAEBGSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594171 484661022 /nfs/dbraw/zinc/66/10/22/484661022.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594171 484661015 /nfs/dbraw/zinc/66/10/15/484661015.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672594171 484661007 /nfs/dbraw/zinc/66/10/07/484661007.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672594171 484661002 /nfs/dbraw/zinc/66/10/02/484661002.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672594171 484660994 /nfs/dbraw/zinc/66/09/94/484660994.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594172 484661266 /nfs/dbraw/zinc/66/12/66/484661266.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594172 484661260 /nfs/dbraw/zinc/66/12/60/484661260.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672594172 484661256 /nfs/dbraw/zinc/66/12/56/484661256.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672594172 484661250 /nfs/dbraw/zinc/66/12/50/484661250.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672594172 484661239 /nfs/dbraw/zinc/66/12/39/484661239.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594173 484661696 /nfs/dbraw/zinc/66/16/96/484661696.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594173 484661690 /nfs/dbraw/zinc/66/16/90/484661690.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672594173 484661689 /nfs/dbraw/zinc/66/16/89/484661689.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672594173 484661682 /nfs/dbraw/zinc/66/16/82/484661682.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672594173 484661677 /nfs/dbraw/zinc/66/16/77/484661677.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594174 484662108 /nfs/dbraw/zinc/66/21/08/484662108.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672594174 484662107 /nfs/dbraw/zinc/66/21/07/484662107.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672594174 484662101 /nfs/dbraw/zinc/66/21/01/484662101.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672594174 484662098 /nfs/dbraw/zinc/66/20/98/484662098.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672594174 484662092 /nfs/dbraw/zinc/66/20/92/484662092.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 1 365.522 -0.130 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000672594323 484660871 /nfs/dbraw/zinc/66/08/71/484660871.db2.gz VFYGHRHJZFMYFE-BRWVUGGUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000672594323 484660864 /nfs/dbraw/zinc/66/08/64/484660864.db2.gz VFYGHRHJZFMYFE-BRWVUGGUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000672594323 484660856 /nfs/dbraw/zinc/66/08/56/484660856.db2.gz VFYGHRHJZFMYFE-BRWVUGGUSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000672594325 484661863 /nfs/dbraw/zinc/66/18/63/484661863.db2.gz VFYGHRHJZFMYFE-IKGGRYGDSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000672594325 484661856 /nfs/dbraw/zinc/66/18/56/484661856.db2.gz VFYGHRHJZFMYFE-IKGGRYGDSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000672594325 484661847 /nfs/dbraw/zinc/66/18/47/484661847.db2.gz VFYGHRHJZFMYFE-IKGGRYGDSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000672594326 484663519 /nfs/dbraw/zinc/66/35/19/484663519.db2.gz VFYGHRHJZFMYFE-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000672594326 484663515 /nfs/dbraw/zinc/66/35/15/484663515.db2.gz VFYGHRHJZFMYFE-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000672594326 484663512 /nfs/dbraw/zinc/66/35/12/484663512.db2.gz VFYGHRHJZFMYFE-IXDOHACOSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000672594328 484664329 /nfs/dbraw/zinc/66/43/29/484664329.db2.gz VFYGHRHJZFMYFE-ZACQAIPSSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000672594328 484664327 /nfs/dbraw/zinc/66/43/27/484664327.db2.gz VFYGHRHJZFMYFE-ZACQAIPSSA-N 2 1 365.522 -0.176 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000672594328 484664321 /nfs/dbraw/zinc/66/43/21/484664321.db2.gz VFYGHRHJZFMYFE-ZACQAIPSSA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596019 484664298 /nfs/dbraw/zinc/66/42/98/484664298.db2.gz OIHLBHCMURDFQA-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596019 484664293 /nfs/dbraw/zinc/66/42/93/484664293.db2.gz OIHLBHCMURDFQA-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596019 484664289 /nfs/dbraw/zinc/66/42/89/484664289.db2.gz OIHLBHCMURDFQA-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596020 484663806 /nfs/dbraw/zinc/66/38/06/484663806.db2.gz OIHLBHCMURDFQA-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596020 484663797 /nfs/dbraw/zinc/66/37/97/484663797.db2.gz OIHLBHCMURDFQA-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596020 484663793 /nfs/dbraw/zinc/66/37/93/484663793.db2.gz OIHLBHCMURDFQA-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000672596077 484662929 /nfs/dbraw/zinc/66/29/29/484662929.db2.gz AQOWIRRUXQMMRV-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000672596078 484663102 /nfs/dbraw/zinc/66/31/02/484663102.db2.gz AQOWIRRUXQMMRV-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672596297 484663076 /nfs/dbraw/zinc/66/30/76/484663076.db2.gz PFXUKJDJJNTHGW-INIZCTEOSA-N 2 1 360.462 -0.908 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672596298 484663779 /nfs/dbraw/zinc/66/37/79/484663779.db2.gz PFXUKJDJJNTHGW-MRXNPFEDSA-N 2 1 360.462 -0.908 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672597176 484664462 /nfs/dbraw/zinc/66/44/62/484664462.db2.gz ZKALUBBZJFKXKH-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672597177 484662983 /nfs/dbraw/zinc/66/29/83/484662983.db2.gz ZKALUBBZJFKXKH-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672597178 484666140 /nfs/dbraw/zinc/66/61/40/484666140.db2.gz ZKALUBBZJFKXKH-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672597179 484666155 /nfs/dbraw/zinc/66/61/55/484666155.db2.gz ZKALUBBZJFKXKH-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672637251 484669735 /nfs/dbraw/zinc/66/97/35/484669735.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637251 484669729 /nfs/dbraw/zinc/66/97/29/484669729.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672637251 484669721 /nfs/dbraw/zinc/66/97/21/484669721.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672637251 484669716 /nfs/dbraw/zinc/66/97/16/484669716.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637251 484669710 /nfs/dbraw/zinc/66/97/10/484669710.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672637252 484669617 /nfs/dbraw/zinc/66/96/17/484669617.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637252 484669613 /nfs/dbraw/zinc/66/96/13/484669613.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672637252 484669608 /nfs/dbraw/zinc/66/96/08/484669608.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672637252 484669601 /nfs/dbraw/zinc/66/96/01/484669601.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637252 484669595 /nfs/dbraw/zinc/66/95/95/484669595.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 1 365.522 -0.176 20 0 FBADMP CC(C)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638017 483935998 /nfs/dbraw/zinc/93/59/98/483935998.db2.gz QJALNCYPVXHHLB-LSDHHAIUSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638017 483935995 /nfs/dbraw/zinc/93/59/95/483935995.db2.gz QJALNCYPVXHHLB-LSDHHAIUSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638026 484668766 /nfs/dbraw/zinc/66/87/66/484668766.db2.gz COQHCAJDVXUUDV-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638040 484670374 /nfs/dbraw/zinc/67/03/74/484670374.db2.gz COQHCAJDVXUUDV-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638247 483936995 /nfs/dbraw/zinc/93/69/95/483936995.db2.gz CPOCDUUIVGWQJF-GOEBONIOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638247 483936992 /nfs/dbraw/zinc/93/69/92/483936992.db2.gz CPOCDUUIVGWQJF-GOEBONIOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639866 484673787 /nfs/dbraw/zinc/67/37/87/484673787.db2.gz SPLFGCYRDDSFTQ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639866 484673783 /nfs/dbraw/zinc/67/37/83/484673783.db2.gz SPLFGCYRDDSFTQ-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639867 484673146 /nfs/dbraw/zinc/67/31/46/484673146.db2.gz SPLFGCYRDDSFTQ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639867 484673140 /nfs/dbraw/zinc/67/31/40/484673140.db2.gz SPLFGCYRDDSFTQ-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000672640543 484673829 /nfs/dbraw/zinc/67/38/29/484673829.db2.gz JYUZPXODEUJTRL-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000672640543 484673826 /nfs/dbraw/zinc/67/38/26/484673826.db2.gz JYUZPXODEUJTRL-DOTOQJQBSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000672640546 483939054 /nfs/dbraw/zinc/93/90/54/483939054.db2.gz JYUZPXODEUJTRL-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000672640546 483939044 /nfs/dbraw/zinc/93/90/44/483939044.db2.gz JYUZPXODEUJTRL-NVXWUHKLSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000672640549 483937922 /nfs/dbraw/zinc/93/79/22/483937922.db2.gz JYUZPXODEUJTRL-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000672640549 483937920 /nfs/dbraw/zinc/93/79/20/483937920.db2.gz JYUZPXODEUJTRL-RDJZCZTQSA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000672640553 483937707 /nfs/dbraw/zinc/93/77/07/483937707.db2.gz JYUZPXODEUJTRL-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000672640553 483937704 /nfs/dbraw/zinc/93/77/04/483937704.db2.gz JYUZPXODEUJTRL-WBVHZDCISA-N 2 1 365.522 -0.176 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643261 484675967 /nfs/dbraw/zinc/67/59/67/484675967.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643261 484675962 /nfs/dbraw/zinc/67/59/62/484675962.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643261 484675958 /nfs/dbraw/zinc/67/59/58/484675958.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643261 484675953 /nfs/dbraw/zinc/67/59/53/484675953.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643261 484675948 /nfs/dbraw/zinc/67/59/48/484675948.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643263 484675672 /nfs/dbraw/zinc/67/56/72/484675672.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643263 484675667 /nfs/dbraw/zinc/67/56/67/484675667.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643263 484675662 /nfs/dbraw/zinc/67/56/62/484675662.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643263 484675657 /nfs/dbraw/zinc/67/56/57/484675657.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643263 484675651 /nfs/dbraw/zinc/67/56/51/484675651.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643264 484674481 /nfs/dbraw/zinc/67/44/81/484674481.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643264 484674476 /nfs/dbraw/zinc/67/44/76/484674476.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643264 484674470 /nfs/dbraw/zinc/67/44/70/484674470.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643264 484674466 /nfs/dbraw/zinc/67/44/66/484674466.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643264 484674460 /nfs/dbraw/zinc/67/44/60/484674460.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643265 484675506 /nfs/dbraw/zinc/67/55/06/484675506.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643265 484675503 /nfs/dbraw/zinc/67/55/03/484675503.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643265 484675495 /nfs/dbraw/zinc/67/54/95/484675495.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672643265 484675493 /nfs/dbraw/zinc/67/54/93/484675493.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643265 484675488 /nfs/dbraw/zinc/67/54/88/484675488.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 1 365.522 -0.128 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643382 484676060 /nfs/dbraw/zinc/67/60/60/484676060.db2.gz WTCVRVBOXYEGKP-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643382 484676055 /nfs/dbraw/zinc/67/60/55/484676055.db2.gz WTCVRVBOXYEGKP-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643383 484675199 /nfs/dbraw/zinc/67/51/99/484675199.db2.gz WTCVRVBOXYEGKP-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643383 484675194 /nfs/dbraw/zinc/67/51/94/484675194.db2.gz WTCVRVBOXYEGKP-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000672643456 484674884 /nfs/dbraw/zinc/67/48/84/484674884.db2.gz ZGNWSWAHNPNNAB-CABCVRRESA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000672643457 484675228 /nfs/dbraw/zinc/67/52/28/484675228.db2.gz ZGNWSWAHNPNNAB-GJZGRUSLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000672643458 484675994 /nfs/dbraw/zinc/67/59/94/484675994.db2.gz ZGNWSWAHNPNNAB-HUUCEWRRSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000672643459 484675912 /nfs/dbraw/zinc/67/59/12/484675912.db2.gz ZGNWSWAHNPNNAB-LSDHHAIUSA-N 2 1 351.495 -0.519 20 0 FBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000672697328 484677780 /nfs/dbraw/zinc/67/77/80/484677780.db2.gz QPQLGJLIOJBXGQ-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000672697330 484187679 /nfs/dbraw/zinc/18/76/79/484187679.db2.gz QPQLGJLIOJBXGQ-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCO ZINC000672882805 484683976 /nfs/dbraw/zinc/68/39/76/484683976.db2.gz OVRDJIOLAZWRHE-HNNXBMFYSA-N 2 1 369.510 -0.328 20 0 FBADMP CC1(C)CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCO ZINC000672882805 484683967 /nfs/dbraw/zinc/68/39/67/484683967.db2.gz OVRDJIOLAZWRHE-HNNXBMFYSA-N 2 1 369.510 -0.328 20 0 FBADMP CC1(C)CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CCO ZINC000672882805 484683957 /nfs/dbraw/zinc/68/39/57/484683957.db2.gz OVRDJIOLAZWRHE-HNNXBMFYSA-N 2 1 369.510 -0.328 20 0 FBADMP CC1(C)CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCO ZINC000672882806 484684093 /nfs/dbraw/zinc/68/40/93/484684093.db2.gz OVRDJIOLAZWRHE-OAHLLOKOSA-N 2 1 369.510 -0.328 20 0 FBADMP CC1(C)CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCO ZINC000672882806 484684085 /nfs/dbraw/zinc/68/40/85/484684085.db2.gz OVRDJIOLAZWRHE-OAHLLOKOSA-N 2 1 369.510 -0.328 20 0 FBADMP CC1(C)CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CCO ZINC000672882806 484684078 /nfs/dbraw/zinc/68/40/78/484684078.db2.gz OVRDJIOLAZWRHE-OAHLLOKOSA-N 2 1 369.510 -0.328 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000672981744 484687835 /nfs/dbraw/zinc/68/78/35/484687835.db2.gz DSJLFWHARGSORF-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000672981744 484687832 /nfs/dbraw/zinc/68/78/32/484687832.db2.gz DSJLFWHARGSORF-HNNXBMFYSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000672981745 484687782 /nfs/dbraw/zinc/68/77/82/484687782.db2.gz DSJLFWHARGSORF-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000672981745 484687780 /nfs/dbraw/zinc/68/77/80/484687780.db2.gz DSJLFWHARGSORF-OAHLLOKOSA-N 2 1 365.522 -0.128 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC000672981778 484687210 /nfs/dbraw/zinc/68/72/10/484687210.db2.gz ZAKXOCLUIYIGTL-INIZCTEOSA-N 2 1 365.522 -0.175 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC000672981779 484687148 /nfs/dbraw/zinc/68/71/48/484687148.db2.gz ZAKXOCLUIYIGTL-MRXNPFEDSA-N 2 1 365.522 -0.175 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014301 484691532 /nfs/dbraw/zinc/69/15/32/484691532.db2.gz QIEHVTDDKLORTQ-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014302 484690849 /nfs/dbraw/zinc/69/08/49/484690849.db2.gz QIEHVTDDKLORTQ-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014303 484691094 /nfs/dbraw/zinc/69/10/94/484691094.db2.gz QIEHVTDDKLORTQ-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014304 484691631 /nfs/dbraw/zinc/69/16/31/484691631.db2.gz QIEHVTDDKLORTQ-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673123475 484694942 /nfs/dbraw/zinc/69/49/42/484694942.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1C[N@H+](C)CCO1 ZINC000673123475 484694936 /nfs/dbraw/zinc/69/49/36/484694936.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[NH+](C)CCO1 ZINC000673123475 484694929 /nfs/dbraw/zinc/69/49/29/484694929.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[NH+](C)CCO1 ZINC000673123475 484694924 /nfs/dbraw/zinc/69/49/24/484694924.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CN(C)CCO1 ZINC000673123475 484694921 /nfs/dbraw/zinc/69/49/21/484694921.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1C[N@@H+](C)CCO1 ZINC000673123477 484695182 /nfs/dbraw/zinc/69/51/82/484695182.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1C[N@H+](C)CCO1 ZINC000673123477 484695175 /nfs/dbraw/zinc/69/51/75/484695175.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[NH+](C)CCO1 ZINC000673123477 484695166 /nfs/dbraw/zinc/69/51/66/484695166.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[NH+](C)CCO1 ZINC000673123477 484695160 /nfs/dbraw/zinc/69/51/60/484695160.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CN(C)CCO1 ZINC000673123477 484695155 /nfs/dbraw/zinc/69/51/55/484695155.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1C[N@@H+](C)CCO1 ZINC000673123478 484695389 /nfs/dbraw/zinc/69/53/89/484695389.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1C[N@H+](C)CCO1 ZINC000673123478 484695382 /nfs/dbraw/zinc/69/53/82/484695382.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[NH+](C)CCO1 ZINC000673123478 484695376 /nfs/dbraw/zinc/69/53/76/484695376.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[NH+](C)CCO1 ZINC000673123478 484695366 /nfs/dbraw/zinc/69/53/66/484695366.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CN(C)CCO1 ZINC000673123478 484695361 /nfs/dbraw/zinc/69/53/61/484695361.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673123480 484695244 /nfs/dbraw/zinc/69/52/44/484695244.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1C[N@H+](C)CCO1 ZINC000673123480 484695239 /nfs/dbraw/zinc/69/52/39/484695239.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[NH+](C)CCO1 ZINC000673123480 484695233 /nfs/dbraw/zinc/69/52/33/484695233.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[NH+](C)CCO1 ZINC000673123480 484695226 /nfs/dbraw/zinc/69/52/26/484695226.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CN(C)CCO1 ZINC000673123480 484695221 /nfs/dbraw/zinc/69/52/21/484695221.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 1 352.479 -0.047 20 0 FBADMP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000673130640 484694796 /nfs/dbraw/zinc/69/47/96/484694796.db2.gz YTSRUTUDPYJUQB-KBPBESRZSA-N 2 1 351.451 -0.009 20 0 FBADMP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000673130641 484695695 /nfs/dbraw/zinc/69/56/95/484695695.db2.gz YTSRUTUDPYJUQB-KGLIPLIRSA-N 2 1 351.451 -0.009 20 0 FBADMP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000673130642 484694670 /nfs/dbraw/zinc/69/46/70/484694670.db2.gz YTSRUTUDPYJUQB-UONOGXRCSA-N 2 1 351.451 -0.009 20 0 FBADMP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000673130643 484694846 /nfs/dbraw/zinc/69/48/46/484694846.db2.gz YTSRUTUDPYJUQB-ZIAGYGMSSA-N 2 1 351.451 -0.009 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673148191 484696610 /nfs/dbraw/zinc/69/66/10/484696610.db2.gz NBFOJUBVTNXKQD-UHFFFAOYSA-N 2 1 363.462 -0.185 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673178974 484698530 /nfs/dbraw/zinc/69/85/30/484698530.db2.gz OVZMPJPCFCIUJK-LBDPXKHJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673178974 484698523 /nfs/dbraw/zinc/69/85/23/484698523.db2.gz OVZMPJPCFCIUJK-LBDPXKHJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673178977 484698388 /nfs/dbraw/zinc/69/83/88/484698388.db2.gz OVZMPJPCFCIUJK-LMPOIIKSSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673178977 484698381 /nfs/dbraw/zinc/69/83/81/484698381.db2.gz OVZMPJPCFCIUJK-LMPOIIKSSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673178978 484698828 /nfs/dbraw/zinc/69/88/28/484698828.db2.gz OVZMPJPCFCIUJK-PRLABOORSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673178978 484698823 /nfs/dbraw/zinc/69/88/23/484698823.db2.gz OVZMPJPCFCIUJK-PRLABOORSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673178979 484698309 /nfs/dbraw/zinc/69/83/09/484698309.db2.gz OVZMPJPCFCIUJK-SLTXQBBLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673178979 484698304 /nfs/dbraw/zinc/69/83/04/484698304.db2.gz OVZMPJPCFCIUJK-SLTXQBBLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673427948 484709982 /nfs/dbraw/zinc/70/99/82/484709982.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000673427948 484709968 /nfs/dbraw/zinc/70/99/68/484709968.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000673427948 484709960 /nfs/dbraw/zinc/70/99/60/484709960.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427948 484709956 /nfs/dbraw/zinc/70/99/56/484709956.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673427953 484710280 /nfs/dbraw/zinc/71/02/80/484710280.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673427953 484710273 /nfs/dbraw/zinc/71/02/73/484710273.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673427953 484710269 /nfs/dbraw/zinc/71/02/69/484710269.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427953 484710264 /nfs/dbraw/zinc/71/02/64/484710264.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673427954 484709659 /nfs/dbraw/zinc/70/96/59/484709659.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000673427954 484709647 /nfs/dbraw/zinc/70/96/47/484709647.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000673427954 484709640 /nfs/dbraw/zinc/70/96/40/484709640.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427954 484709634 /nfs/dbraw/zinc/70/96/34/484709634.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673427955 484709743 /nfs/dbraw/zinc/70/97/43/484709743.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673427955 484709731 /nfs/dbraw/zinc/70/97/31/484709731.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673427955 484709723 /nfs/dbraw/zinc/70/97/23/484709723.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427955 484709720 /nfs/dbraw/zinc/70/97/20/484709720.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 2 1 370.494 -0.561 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCCN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000673539509 484716736 /nfs/dbraw/zinc/71/67/36/484716736.db2.gz WYFCHRITPAGNLV-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCCN1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000673539509 484716727 /nfs/dbraw/zinc/71/67/27/484716727.db2.gz WYFCHRITPAGNLV-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000673539509 484716720 /nfs/dbraw/zinc/71/67/20/484716720.db2.gz WYFCHRITPAGNLV-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550120 484717550 /nfs/dbraw/zinc/71/75/50/484717550.db2.gz JJVJFOIDRBWMJZ-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550120 484717546 /nfs/dbraw/zinc/71/75/46/484717546.db2.gz JJVJFOIDRBWMJZ-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550121 484717471 /nfs/dbraw/zinc/71/74/71/484717471.db2.gz JJVJFOIDRBWMJZ-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550121 484717464 /nfs/dbraw/zinc/71/74/64/484717464.db2.gz JJVJFOIDRBWMJZ-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550122 484717851 /nfs/dbraw/zinc/71/78/51/484717851.db2.gz JJVJFOIDRBWMJZ-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550122 484717844 /nfs/dbraw/zinc/71/78/44/484717844.db2.gz JJVJFOIDRBWMJZ-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550123 484718188 /nfs/dbraw/zinc/71/81/88/484718188.db2.gz JJVJFOIDRBWMJZ-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)CC1=O ZINC000673550123 484718180 /nfs/dbraw/zinc/71/81/80/484718180.db2.gz JJVJFOIDRBWMJZ-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000673582448 484719760 /nfs/dbraw/zinc/71/97/60/484719760.db2.gz AFQFCCSXBHNSJH-HNNXBMFYSA-N 2 1 363.462 -0.151 20 0 FBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000673582451 484719483 /nfs/dbraw/zinc/71/94/83/484719483.db2.gz AFQFCCSXBHNSJH-OAHLLOKOSA-N 2 1 363.462 -0.151 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673584055 484719265 /nfs/dbraw/zinc/71/92/65/484719265.db2.gz LKQIOZGWJXBUKD-BBWFWOEESA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673584056 484718916 /nfs/dbraw/zinc/71/89/16/484718916.db2.gz LKQIOZGWJXBUKD-BRWVUGGUSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673584057 484719388 /nfs/dbraw/zinc/71/93/88/484719388.db2.gz LKQIOZGWJXBUKD-GVDBMIGSSA-N 2 1 364.490 -0.213 20 0 FBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673584058 484719667 /nfs/dbraw/zinc/71/96/67/484719667.db2.gz LKQIOZGWJXBUKD-ZACQAIPSSA-N 2 1 364.490 -0.213 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673584777 484719565 /nfs/dbraw/zinc/71/95/65/484719565.db2.gz HHZGPYAHJARIAL-ARFHVFGLSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673584778 484719534 /nfs/dbraw/zinc/71/95/34/484719534.db2.gz HHZGPYAHJARIAL-HRCADAONSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584779 484719597 /nfs/dbraw/zinc/71/95/97/484719597.db2.gz HHZGPYAHJARIAL-JYJNAYRXSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584780 484719115 /nfs/dbraw/zinc/71/91/15/484719115.db2.gz HHZGPYAHJARIAL-XHSDSOJGSA-N 2 1 352.479 -0.309 20 0 FBADMP CN1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673670733 484723058 /nfs/dbraw/zinc/72/30/58/484723058.db2.gz ODDPPHYZJARAKC-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP CN1CCC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673670733 484723052 /nfs/dbraw/zinc/72/30/52/484723052.db2.gz ODDPPHYZJARAKC-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)CC1=O ZINC000673670733 484723047 /nfs/dbraw/zinc/72/30/47/484723047.db2.gz ODDPPHYZJARAKC-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP CN1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673670734 484723699 /nfs/dbraw/zinc/72/36/99/484723699.db2.gz ODDPPHYZJARAKC-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP CN1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673670734 484723693 /nfs/dbraw/zinc/72/36/93/484723693.db2.gz ODDPPHYZJARAKC-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)CC1=O ZINC000673670734 484723685 /nfs/dbraw/zinc/72/36/85/484723685.db2.gz ODDPPHYZJARAKC-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000673673200 484723186 /nfs/dbraw/zinc/72/31/86/484723186.db2.gz RUYPQAGVACNSOF-KRWDZBQOSA-N 2 1 353.511 -0.853 20 0 FBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000673673205 484723491 /nfs/dbraw/zinc/72/34/91/484723491.db2.gz RUYPQAGVACNSOF-QGZVFWFLSA-N 2 1 353.511 -0.853 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000673851325 484726845 /nfs/dbraw/zinc/72/68/45/484726845.db2.gz XBUXCJCLHIXIRZ-MRXNPFEDSA-N 2 1 367.494 -0.168 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673869028 660478572 /nfs/dbraw/zinc/47/85/72/660478572.db2.gz JTGIJZMFVSFAHA-UHFFFAOYSA-N 2 1 351.455 -0.223 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000673869909 660478517 /nfs/dbraw/zinc/47/85/17/660478517.db2.gz GKEHANFYXFWDQD-UHFFFAOYSA-N 2 1 351.455 -0.270 20 0 FBADMP CN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673992478 484732538 /nfs/dbraw/zinc/73/25/38/484732538.db2.gz GKYLFVFMHSLZQW-FZKCQIBNSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673992478 484732533 /nfs/dbraw/zinc/73/25/33/484732533.db2.gz GKYLFVFMHSLZQW-FZKCQIBNSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673992479 484731946 /nfs/dbraw/zinc/73/19/46/484731946.db2.gz GKYLFVFMHSLZQW-VGWMRTNUSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673992479 484731942 /nfs/dbraw/zinc/73/19/42/484731942.db2.gz GKYLFVFMHSLZQW-VGWMRTNUSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673992480 484732094 /nfs/dbraw/zinc/73/20/94/484732094.db2.gz GKYLFVFMHSLZQW-XUWVNRHRSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673992480 484732088 /nfs/dbraw/zinc/73/20/88/484732088.db2.gz GKYLFVFMHSLZQW-XUWVNRHRSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673992481 484732153 /nfs/dbraw/zinc/73/21/53/484732153.db2.gz GKYLFVFMHSLZQW-YHUYYLMFSA-N 2 1 368.478 -0.951 20 0 FBADMP CN1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673992481 484732146 /nfs/dbraw/zinc/73/21/46/484732146.db2.gz GKYLFVFMHSLZQW-YHUYYLMFSA-N 2 1 368.478 -0.951 20 0 FBADMP COC1CC[NH+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000674327436 484743628 /nfs/dbraw/zinc/74/36/28/484743628.db2.gz KVSLTXZYMCUVTH-UHFFFAOYSA-N 2 1 369.510 -0.051 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674328953 484742708 /nfs/dbraw/zinc/74/27/08/484742708.db2.gz OCTYZOCDCQIIMO-UHFFFAOYSA-N 2 1 355.483 -0.393 20 0 FBADMP COC1CC[NH+](CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000674329424 484743767 /nfs/dbraw/zinc/74/37/67/484743767.db2.gz ZQRARJKOVHHPGL-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000674329446 484743579 /nfs/dbraw/zinc/74/35/79/484743579.db2.gz BAQJBRQUXYZPOK-HNNXBMFYSA-N 2 1 369.510 -0.016 20 0 FBADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000674329447 484743355 /nfs/dbraw/zinc/74/33/55/484743355.db2.gz BAQJBRQUXYZPOK-OAHLLOKOSA-N 2 1 369.510 -0.016 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000675312900 484772539 /nfs/dbraw/zinc/77/25/39/484772539.db2.gz WXSZWLRHYDDUKN-AEGPPILISA-N 2 1 353.467 -0.513 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000675312900 484772533 /nfs/dbraw/zinc/77/25/33/484772533.db2.gz WXSZWLRHYDDUKN-AEGPPILISA-N 2 1 353.467 -0.513 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC000675312901 484773689 /nfs/dbraw/zinc/77/36/89/484773689.db2.gz WXSZWLRHYDDUKN-CFVMTHIKSA-N 2 1 353.467 -0.513 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC000675312901 484773680 /nfs/dbraw/zinc/77/36/80/484773680.db2.gz WXSZWLRHYDDUKN-CFVMTHIKSA-N 2 1 353.467 -0.513 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000675312902 484773187 /nfs/dbraw/zinc/77/31/87/484773187.db2.gz WXSZWLRHYDDUKN-NWANDNLSSA-N 2 1 353.467 -0.513 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000675312902 484773180 /nfs/dbraw/zinc/77/31/80/484773180.db2.gz WXSZWLRHYDDUKN-NWANDNLSSA-N 2 1 353.467 -0.513 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC000675312903 484772983 /nfs/dbraw/zinc/77/29/83/484772983.db2.gz WXSZWLRHYDDUKN-QEJZJMRPSA-N 2 1 353.467 -0.513 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC000675312903 484772977 /nfs/dbraw/zinc/77/29/77/484772977.db2.gz WXSZWLRHYDDUKN-QEJZJMRPSA-N 2 1 353.467 -0.513 20 0 FBADMP CN(CCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)S(C)(=O)=O ZINC000675551560 484778835 /nfs/dbraw/zinc/77/88/35/484778835.db2.gz KNTFLDWRHMHXGN-UHFFFAOYSA-N 2 1 356.496 -0.401 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCN3CCCS3(=O)=O)cn2)CC1 ZINC000675551575 484778259 /nfs/dbraw/zinc/77/82/59/484778259.db2.gz LMBUOIKRIQQELO-UHFFFAOYSA-N 2 1 368.507 -0.256 20 0 FBADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000676095471 484791058 /nfs/dbraw/zinc/79/10/58/484791058.db2.gz IYPAMNCCBVQGAU-AWEZNQCLSA-N 2 1 366.466 -0.532 20 0 FBADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000676095473 484791316 /nfs/dbraw/zinc/79/13/16/484791316.db2.gz IYPAMNCCBVQGAU-CQSZACIVSA-N 2 1 366.466 -0.532 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000676095535 484790872 /nfs/dbraw/zinc/79/08/72/484790872.db2.gz QOEOCANYDCPPQO-UHFFFAOYSA-N 2 1 354.480 -0.452 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676096016 484791140 /nfs/dbraw/zinc/79/11/40/484791140.db2.gz NZIQUPYFRJGRLY-CYBMUJFWSA-N 2 1 352.439 -0.780 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676096017 484792145 /nfs/dbraw/zinc/79/21/45/484792145.db2.gz NZIQUPYFRJGRLY-ZDUSSCGKSA-N 2 1 352.439 -0.780 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097139 484791031 /nfs/dbraw/zinc/79/10/31/484791031.db2.gz WURYUPQPMZRULU-HNNXBMFYSA-N 2 1 366.466 -0.390 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097140 484790627 /nfs/dbraw/zinc/79/06/27/484790627.db2.gz WURYUPQPMZRULU-OAHLLOKOSA-N 2 1 366.466 -0.390 20 0 FBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098368 484791167 /nfs/dbraw/zinc/79/11/67/484791167.db2.gz KBKBYVCTFFGKCY-HNNXBMFYSA-N 2 1 366.466 -0.702 20 0 FBADMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098369 484790769 /nfs/dbraw/zinc/79/07/69/484790769.db2.gz KBKBYVCTFFGKCY-OAHLLOKOSA-N 2 1 366.466 -0.702 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000676099008 484793408 /nfs/dbraw/zinc/79/34/08/484793408.db2.gz ZNJFWCRULFPKNG-UHFFFAOYSA-N 2 1 366.466 -0.702 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243993 484796514 /nfs/dbraw/zinc/79/65/14/484796514.db2.gz LYMVZAPZSDXMBG-KKUMJFAQSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243993 484796506 /nfs/dbraw/zinc/79/65/06/484796506.db2.gz LYMVZAPZSDXMBG-KKUMJFAQSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243993 484796498 /nfs/dbraw/zinc/79/64/98/484796498.db2.gz LYMVZAPZSDXMBG-KKUMJFAQSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243993 484796491 /nfs/dbraw/zinc/79/64/91/484796491.db2.gz LYMVZAPZSDXMBG-KKUMJFAQSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243994 484797395 /nfs/dbraw/zinc/79/73/95/484797395.db2.gz LYMVZAPZSDXMBG-RRFJBIMHSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243994 484797387 /nfs/dbraw/zinc/79/73/87/484797387.db2.gz LYMVZAPZSDXMBG-RRFJBIMHSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243994 484797383 /nfs/dbraw/zinc/79/73/83/484797383.db2.gz LYMVZAPZSDXMBG-RRFJBIMHSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243994 484797378 /nfs/dbraw/zinc/79/73/78/484797378.db2.gz LYMVZAPZSDXMBG-RRFJBIMHSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243995 484797128 /nfs/dbraw/zinc/79/71/28/484797128.db2.gz LYMVZAPZSDXMBG-SOUVJXGZSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243995 484797123 /nfs/dbraw/zinc/79/71/23/484797123.db2.gz LYMVZAPZSDXMBG-SOUVJXGZSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243995 484797120 /nfs/dbraw/zinc/79/71/20/484797120.db2.gz LYMVZAPZSDXMBG-SOUVJXGZSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243995 484797113 /nfs/dbraw/zinc/79/71/13/484797113.db2.gz LYMVZAPZSDXMBG-SOUVJXGZSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243996 484797689 /nfs/dbraw/zinc/79/76/89/484797689.db2.gz LYMVZAPZSDXMBG-ZNMIVQPWSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243996 484797684 /nfs/dbraw/zinc/79/76/84/484797684.db2.gz LYMVZAPZSDXMBG-ZNMIVQPWSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243996 484797679 /nfs/dbraw/zinc/79/76/79/484797679.db2.gz LYMVZAPZSDXMBG-ZNMIVQPWSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243996 484797677 /nfs/dbraw/zinc/79/76/77/484797677.db2.gz LYMVZAPZSDXMBG-ZNMIVQPWSA-N 2 1 355.483 -0.408 20 0 FBADMP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245844 484796665 /nfs/dbraw/zinc/79/66/65/484796665.db2.gz OTMHKVWPLMAINW-GDBMZVCRSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676245844 484796659 /nfs/dbraw/zinc/79/66/59/484796659.db2.gz OTMHKVWPLMAINW-GDBMZVCRSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245847 484797010 /nfs/dbraw/zinc/79/70/10/484797010.db2.gz OTMHKVWPLMAINW-GOEBONIOSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676245847 484797002 /nfs/dbraw/zinc/79/70/02/484797002.db2.gz OTMHKVWPLMAINW-GOEBONIOSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245850 484797483 /nfs/dbraw/zinc/79/74/83/484797483.db2.gz OTMHKVWPLMAINW-HOCLYGCPSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245850 484797477 /nfs/dbraw/zinc/79/74/77/484797477.db2.gz OTMHKVWPLMAINW-HOCLYGCPSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245853 484796787 /nfs/dbraw/zinc/79/67/87/484796787.db2.gz OTMHKVWPLMAINW-ZBFHGGJFSA-N 2 1 369.510 -0.053 20 0 FBADMP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245853 484796784 /nfs/dbraw/zinc/79/67/84/484796784.db2.gz OTMHKVWPLMAINW-ZBFHGGJFSA-N 2 1 369.510 -0.053 20 0 FBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1)C(C)(C)CO ZINC000676485799 484814663 /nfs/dbraw/zinc/81/46/63/484814663.db2.gz KYSFPJPLLIWJJT-UHFFFAOYSA-N 2 1 372.510 -0.937 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000677014869 484826899 /nfs/dbraw/zinc/82/68/99/484826899.db2.gz RRZVGHLSYWLSRQ-DOTOQJQBSA-N 2 1 357.499 -0.995 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000677014870 484827207 /nfs/dbraw/zinc/82/72/07/484827207.db2.gz RRZVGHLSYWLSRQ-NVXWUHKLSA-N 2 1 357.499 -0.995 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000677014871 484827455 /nfs/dbraw/zinc/82/74/55/484827455.db2.gz RRZVGHLSYWLSRQ-RDJZCZTQSA-N 2 1 357.499 -0.995 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000677014872 484827543 /nfs/dbraw/zinc/82/75/43/484827543.db2.gz RRZVGHLSYWLSRQ-WBVHZDCISA-N 2 1 357.499 -0.995 20 0 FBADMP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677872600 484847459 /nfs/dbraw/zinc/84/74/59/484847459.db2.gz QCPSMIYCKFNDHR-KRWDZBQOSA-N 2 1 358.490 -0.161 20 0 FBADMP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677872601 484846732 /nfs/dbraw/zinc/84/67/32/484846732.db2.gz QCPSMIYCKFNDHR-QGZVFWFLSA-N 2 1 358.490 -0.161 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677879412 484847750 /nfs/dbraw/zinc/84/77/50/484847750.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677879412 484847748 /nfs/dbraw/zinc/84/77/48/484847748.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677879412 484847742 /nfs/dbraw/zinc/84/77/42/484847742.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677879413 484846770 /nfs/dbraw/zinc/84/67/70/484846770.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677879413 484846766 /nfs/dbraw/zinc/84/67/66/484846766.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677879413 484846761 /nfs/dbraw/zinc/84/67/61/484846761.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677879414 484847043 /nfs/dbraw/zinc/84/70/43/484847043.db2.gz QVZLMCJVZXEFKT-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677879414 484847039 /nfs/dbraw/zinc/84/70/39/484847039.db2.gz QVZLMCJVZXEFKT-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000677879414 484847033 /nfs/dbraw/zinc/84/70/33/484847033.db2.gz QVZLMCJVZXEFKT-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677879415 484846941 /nfs/dbraw/zinc/84/69/41/484846941.db2.gz QVZLMCJVZXEFKT-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677879415 484846935 /nfs/dbraw/zinc/84/69/35/484846935.db2.gz QVZLMCJVZXEFKT-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000677879415 484846929 /nfs/dbraw/zinc/84/69/29/484846929.db2.gz QVZLMCJVZXEFKT-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891787 484847437 /nfs/dbraw/zinc/84/74/37/484847437.db2.gz RHAMNAXXEUGNNO-CVEARBPZSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891787 484847433 /nfs/dbraw/zinc/84/74/33/484847433.db2.gz RHAMNAXXEUGNNO-CVEARBPZSA-N 2 1 356.536 -0.054 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891787 484847430 /nfs/dbraw/zinc/84/74/30/484847430.db2.gz RHAMNAXXEUGNNO-CVEARBPZSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891788 484848684 /nfs/dbraw/zinc/84/86/84/484848684.db2.gz RHAMNAXXEUGNNO-HOTGVXAUSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891788 484848677 /nfs/dbraw/zinc/84/86/77/484848677.db2.gz RHAMNAXXEUGNNO-HOTGVXAUSA-N 2 1 356.536 -0.054 20 0 FBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891788 484848669 /nfs/dbraw/zinc/84/86/69/484848669.db2.gz RHAMNAXXEUGNNO-HOTGVXAUSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891789 484848987 /nfs/dbraw/zinc/84/89/87/484848987.db2.gz RHAMNAXXEUGNNO-HZPDHXFCSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891789 484848983 /nfs/dbraw/zinc/84/89/83/484848983.db2.gz RHAMNAXXEUGNNO-HZPDHXFCSA-N 2 1 356.536 -0.054 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891789 484848979 /nfs/dbraw/zinc/84/89/79/484848979.db2.gz RHAMNAXXEUGNNO-HZPDHXFCSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891790 484848591 /nfs/dbraw/zinc/84/85/91/484848591.db2.gz RHAMNAXXEUGNNO-JKSUJKDBSA-N 2 1 356.536 -0.054 20 0 FBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891790 484848583 /nfs/dbraw/zinc/84/85/83/484848583.db2.gz RHAMNAXXEUGNNO-JKSUJKDBSA-N 2 1 356.536 -0.054 20 0 FBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891790 484848578 /nfs/dbraw/zinc/84/85/78/484848578.db2.gz RHAMNAXXEUGNNO-JKSUJKDBSA-N 2 1 356.536 -0.054 20 0 FBADMP CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000678519793 484864366 /nfs/dbraw/zinc/86/43/66/484864366.db2.gz JRDIOVNPCZOQFN-AWEZNQCLSA-N 2 1 365.430 -0.139 20 0 FBADMP CN1CCN(C(=O)C[N@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000678519793 484864362 /nfs/dbraw/zinc/86/43/62/484864362.db2.gz JRDIOVNPCZOQFN-AWEZNQCLSA-N 2 1 365.430 -0.139 20 0 FBADMP CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000678519794 484864776 /nfs/dbraw/zinc/86/47/76/484864776.db2.gz JRDIOVNPCZOQFN-CQSZACIVSA-N 2 1 365.430 -0.139 20 0 FBADMP CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000678519794 484864770 /nfs/dbraw/zinc/86/47/70/484864770.db2.gz JRDIOVNPCZOQFN-CQSZACIVSA-N 2 1 365.430 -0.139 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1nnnn1C ZINC000678564008 484867091 /nfs/dbraw/zinc/86/70/91/484867091.db2.gz KONZVMMAQDKALB-AWEZNQCLSA-N 2 1 352.487 -0.190 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1nnnn1C ZINC000678564014 484867410 /nfs/dbraw/zinc/86/74/10/484867410.db2.gz KONZVMMAQDKALB-CQSZACIVSA-N 2 1 352.487 -0.190 20 0 FBADMP Cn1c2ncn(CC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c(=O)n(C)c1=O ZINC000679441020 484882803 /nfs/dbraw/zinc/88/28/03/484882803.db2.gz WZQQUEGIVLGMDT-UHFFFAOYSA-N 2 1 369.429 -0.349 20 0 FBADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679501148 484884480 /nfs/dbraw/zinc/88/44/80/484884480.db2.gz ZTEQGVUIOOTNCJ-UHFFFAOYSA-N 2 1 371.445 -0.041 20 0 FBADMP C[C@H](O)C[NH+]1CCN(c2nccnc2N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000680954961 484918714 /nfs/dbraw/zinc/91/87/14/484918714.db2.gz JFYKAWGMBDASRH-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(c2nccnc2N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000680954963 484918676 /nfs/dbraw/zinc/91/86/76/484918676.db2.gz JFYKAWGMBDASRH-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP OCC[NH+]1CCCN(c2nccnc2N2CCC[N@H+](CCO)CC2)CC1 ZINC000680955769 484919126 /nfs/dbraw/zinc/91/91/26/484919126.db2.gz RFOBHRCJKMLHNL-UHFFFAOYSA-N 2 1 364.494 -0.515 20 0 FBADMP C[C@H]1CN(c2nccnc2N2CC[N@@H+](CCO)[C@@H](C)C2)CCN1CCO ZINC000681674426 484936842 /nfs/dbraw/zinc/93/68/42/484936842.db2.gz JGMKXLRMJOQKAW-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@H]1CN(c2nccnc2N2CC[N@H+](CCO)[C@@H](C)C2)CCN1CCO ZINC000681674426 484936839 /nfs/dbraw/zinc/93/68/39/484936839.db2.gz JGMKXLRMJOQKAW-HOTGVXAUSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(c2nccnc2N2CC[N@@H+](CCO)[C@H](C)C2)CCN1CCO ZINC000681674432 484937079 /nfs/dbraw/zinc/93/70/79/484937079.db2.gz JGMKXLRMJOQKAW-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP C[C@@H]1CN(c2nccnc2N2CC[N@H+](CCO)[C@H](C)C2)CCN1CCO ZINC000681674432 484937075 /nfs/dbraw/zinc/93/70/75/484937075.db2.gz JGMKXLRMJOQKAW-HZPDHXFCSA-N 2 1 364.494 -0.518 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682035083 484953509 /nfs/dbraw/zinc/95/35/09/484953509.db2.gz GLTVKWUTZCQQSN-KRWDZBQOSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682035083 484953505 /nfs/dbraw/zinc/95/35/05/484953505.db2.gz GLTVKWUTZCQQSN-KRWDZBQOSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682035083 484953499 /nfs/dbraw/zinc/95/34/99/484953499.db2.gz GLTVKWUTZCQQSN-KRWDZBQOSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682035084 484953878 /nfs/dbraw/zinc/95/38/78/484953878.db2.gz GLTVKWUTZCQQSN-QGZVFWFLSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682035084 484953872 /nfs/dbraw/zinc/95/38/72/484953872.db2.gz GLTVKWUTZCQQSN-QGZVFWFLSA-N 2 1 370.538 -0.152 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682035084 484953866 /nfs/dbraw/zinc/95/38/66/484953866.db2.gz GLTVKWUTZCQQSN-QGZVFWFLSA-N 2 1 370.538 -0.152 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cn1 ZINC000682065668 484955067 /nfs/dbraw/zinc/95/50/67/484955067.db2.gz NIPYBHNIEVLWOC-UHFFFAOYSA-N 2 1 366.466 -0.702 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cn1 ZINC000682065668 484955059 /nfs/dbraw/zinc/95/50/59/484955059.db2.gz NIPYBHNIEVLWOC-UHFFFAOYSA-N 2 1 366.466 -0.702 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000682066604 484955746 /nfs/dbraw/zinc/95/57/46/484955746.db2.gz WOFGIKLNWIUSCM-UHFFFAOYSA-N 2 1 366.466 -0.702 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000682066604 484955740 /nfs/dbraw/zinc/95/57/40/484955740.db2.gz WOFGIKLNWIUSCM-UHFFFAOYSA-N 2 1 366.466 -0.702 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000682613102 484972284 /nfs/dbraw/zinc/97/22/84/484972284.db2.gz GCVQXWYJAUHHQG-INIZCTEOSA-N 2 1 357.499 -0.730 20 0 FBADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000682613104 484971948 /nfs/dbraw/zinc/97/19/48/484971948.db2.gz GCVQXWYJAUHHQG-MRXNPFEDSA-N 2 1 357.499 -0.730 20 0 FBADMP CCOCCOC[C@H](O)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682869156 484976592 /nfs/dbraw/zinc/97/65/92/484976592.db2.gz SWPDCRSKDYXNPI-DOTOQJQBSA-N 2 1 372.510 -0.132 20 0 FBADMP CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682869157 484976349 /nfs/dbraw/zinc/97/63/49/484976349.db2.gz SWPDCRSKDYXNPI-NVXWUHKLSA-N 2 1 372.510 -0.132 20 0 FBADMP CCOCCOC[C@@H](O)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682869159 484976062 /nfs/dbraw/zinc/97/60/62/484976062.db2.gz SWPDCRSKDYXNPI-RDJZCZTQSA-N 2 1 372.510 -0.132 20 0 FBADMP CCOCCOC[C@@H](O)CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682869160 484975873 /nfs/dbraw/zinc/97/58/73/484975873.db2.gz SWPDCRSKDYXNPI-WBVHZDCISA-N 2 1 372.510 -0.132 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871204 484993429 /nfs/dbraw/zinc/99/34/29/484993429.db2.gz UIKVDWWNWDFVCC-IAOVAPTHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871204 484993420 /nfs/dbraw/zinc/99/34/20/484993420.db2.gz UIKVDWWNWDFVCC-IAOVAPTHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871204 484993413 /nfs/dbraw/zinc/99/34/13/484993413.db2.gz UIKVDWWNWDFVCC-IAOVAPTHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000683871205 484993164 /nfs/dbraw/zinc/99/31/64/484993164.db2.gz UIKVDWWNWDFVCC-JQFCIGGWSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000683871205 484993157 /nfs/dbraw/zinc/99/31/57/484993157.db2.gz UIKVDWWNWDFVCC-JQFCIGGWSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000683871205 484993144 /nfs/dbraw/zinc/99/31/44/484993144.db2.gz UIKVDWWNWDFVCC-JQFCIGGWSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683871206 484992583 /nfs/dbraw/zinc/99/25/83/484992583.db2.gz UIKVDWWNWDFVCC-RRQGHBQHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683871206 484992570 /nfs/dbraw/zinc/99/25/70/484992570.db2.gz UIKVDWWNWDFVCC-RRQGHBQHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871206 484992560 /nfs/dbraw/zinc/99/25/60/484992560.db2.gz UIKVDWWNWDFVCC-RRQGHBQHSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871207 484993350 /nfs/dbraw/zinc/99/33/50/484993350.db2.gz UIKVDWWNWDFVCC-XKQJLSEDSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871207 484993345 /nfs/dbraw/zinc/99/33/45/484993345.db2.gz UIKVDWWNWDFVCC-XKQJLSEDSA-N 2 1 364.490 -0.167 20 0 FBADMP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683871207 484993341 /nfs/dbraw/zinc/99/33/41/484993341.db2.gz UIKVDWWNWDFVCC-XKQJLSEDSA-N 2 1 364.490 -0.167 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336068 485045145 /nfs/dbraw/zinc/04/51/45/485045145.db2.gz AXDOWNKELYCAHW-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336068 485045142 /nfs/dbraw/zinc/04/51/42/485045142.db2.gz AXDOWNKELYCAHW-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000685336068 485045137 /nfs/dbraw/zinc/04/51/37/485045137.db2.gz AXDOWNKELYCAHW-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000685336068 485045134 /nfs/dbraw/zinc/04/51/34/485045134.db2.gz AXDOWNKELYCAHW-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336069 485045371 /nfs/dbraw/zinc/04/53/71/485045371.db2.gz AXDOWNKELYCAHW-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685336069 485045366 /nfs/dbraw/zinc/04/53/66/485045366.db2.gz AXDOWNKELYCAHW-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000685336069 485045362 /nfs/dbraw/zinc/04/53/62/485045362.db2.gz AXDOWNKELYCAHW-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000685336069 485045357 /nfs/dbraw/zinc/04/53/57/485045357.db2.gz AXDOWNKELYCAHW-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336070 485044782 /nfs/dbraw/zinc/04/47/82/485044782.db2.gz AXDOWNKELYCAHW-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336070 485044777 /nfs/dbraw/zinc/04/47/77/485044777.db2.gz AXDOWNKELYCAHW-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000685336070 485044772 /nfs/dbraw/zinc/04/47/72/485044772.db2.gz AXDOWNKELYCAHW-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000685336070 485044764 /nfs/dbraw/zinc/04/47/64/485044764.db2.gz AXDOWNKELYCAHW-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336071 485043190 /nfs/dbraw/zinc/04/31/90/485043190.db2.gz AXDOWNKELYCAHW-XUWVNRHRSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685336071 485043185 /nfs/dbraw/zinc/04/31/85/485043185.db2.gz AXDOWNKELYCAHW-XUWVNRHRSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000685336071 485043180 /nfs/dbraw/zinc/04/31/80/485043180.db2.gz AXDOWNKELYCAHW-XUWVNRHRSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000685336071 485043174 /nfs/dbraw/zinc/04/31/74/485043174.db2.gz AXDOWNKELYCAHW-XUWVNRHRSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685336153 485045252 /nfs/dbraw/zinc/04/52/52/485045252.db2.gz IBOUWJODWTUIHX-ARFHVFGLSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685336153 485045247 /nfs/dbraw/zinc/04/52/47/485045247.db2.gz IBOUWJODWTUIHX-ARFHVFGLSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685336153 485045242 /nfs/dbraw/zinc/04/52/42/485045242.db2.gz IBOUWJODWTUIHX-ARFHVFGLSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685336153 485045240 /nfs/dbraw/zinc/04/52/40/485045240.db2.gz IBOUWJODWTUIHX-ARFHVFGLSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685336154 485043756 /nfs/dbraw/zinc/04/37/56/485043756.db2.gz IBOUWJODWTUIHX-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685336154 485043751 /nfs/dbraw/zinc/04/37/51/485043751.db2.gz IBOUWJODWTUIHX-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685336154 485043746 /nfs/dbraw/zinc/04/37/46/485043746.db2.gz IBOUWJODWTUIHX-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685336154 485043740 /nfs/dbraw/zinc/04/37/40/485043740.db2.gz IBOUWJODWTUIHX-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685336155 485044341 /nfs/dbraw/zinc/04/43/41/485044341.db2.gz IBOUWJODWTUIHX-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685336155 485044333 /nfs/dbraw/zinc/04/43/33/485044333.db2.gz IBOUWJODWTUIHX-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685336155 485044326 /nfs/dbraw/zinc/04/43/26/485044326.db2.gz IBOUWJODWTUIHX-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685336155 485044318 /nfs/dbraw/zinc/04/43/18/485044318.db2.gz IBOUWJODWTUIHX-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685336156 485043658 /nfs/dbraw/zinc/04/36/58/485043658.db2.gz IBOUWJODWTUIHX-XHSDSOJGSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685336156 485043654 /nfs/dbraw/zinc/04/36/54/485043654.db2.gz IBOUWJODWTUIHX-XHSDSOJGSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685336156 485043648 /nfs/dbraw/zinc/04/36/48/485043648.db2.gz IBOUWJODWTUIHX-XHSDSOJGSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685336156 485043643 /nfs/dbraw/zinc/04/36/43/485043643.db2.gz IBOUWJODWTUIHX-XHSDSOJGSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336488 485043611 /nfs/dbraw/zinc/04/36/11/485043611.db2.gz CAANSLXEUUBCPH-GDBMZVCRSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336488 485043605 /nfs/dbraw/zinc/04/36/05/485043605.db2.gz CAANSLXEUUBCPH-GDBMZVCRSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336488 485043599 /nfs/dbraw/zinc/04/35/99/485043599.db2.gz CAANSLXEUUBCPH-GDBMZVCRSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336488 485043594 /nfs/dbraw/zinc/04/35/94/485043594.db2.gz CAANSLXEUUBCPH-GDBMZVCRSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336489 485045214 /nfs/dbraw/zinc/04/52/14/485045214.db2.gz CAANSLXEUUBCPH-GOEBONIOSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336489 485045211 /nfs/dbraw/zinc/04/52/11/485045211.db2.gz CAANSLXEUUBCPH-GOEBONIOSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336489 485045208 /nfs/dbraw/zinc/04/52/08/485045208.db2.gz CAANSLXEUUBCPH-GOEBONIOSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336489 485045200 /nfs/dbraw/zinc/04/52/00/485045200.db2.gz CAANSLXEUUBCPH-GOEBONIOSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336490 485043392 /nfs/dbraw/zinc/04/33/92/485043392.db2.gz CAANSLXEUUBCPH-HOCLYGCPSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336490 485043386 /nfs/dbraw/zinc/04/33/86/485043386.db2.gz CAANSLXEUUBCPH-HOCLYGCPSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336490 485043378 /nfs/dbraw/zinc/04/33/78/485043378.db2.gz CAANSLXEUUBCPH-HOCLYGCPSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336490 485043373 /nfs/dbraw/zinc/04/33/73/485043373.db2.gz CAANSLXEUUBCPH-HOCLYGCPSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336491 485044294 /nfs/dbraw/zinc/04/42/94/485044294.db2.gz CAANSLXEUUBCPH-ZBFHGGJFSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336491 485044291 /nfs/dbraw/zinc/04/42/91/485044291.db2.gz CAANSLXEUUBCPH-ZBFHGGJFSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336491 485044283 /nfs/dbraw/zinc/04/42/83/485044283.db2.gz CAANSLXEUUBCPH-ZBFHGGJFSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336491 485044277 /nfs/dbraw/zinc/04/42/77/485044277.db2.gz CAANSLXEUUBCPH-ZBFHGGJFSA-N 2 1 370.494 -0.873 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337137 485045315 /nfs/dbraw/zinc/04/53/15/485045315.db2.gz BVMJKFSROYHAID-GDBMZVCRSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337137 485045314 /nfs/dbraw/zinc/04/53/14/485045314.db2.gz BVMJKFSROYHAID-GDBMZVCRSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337138 485043954 /nfs/dbraw/zinc/04/39/54/485043954.db2.gz BVMJKFSROYHAID-GOEBONIOSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337138 485043947 /nfs/dbraw/zinc/04/39/47/485043947.db2.gz BVMJKFSROYHAID-GOEBONIOSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337139 485043346 /nfs/dbraw/zinc/04/33/46/485043346.db2.gz BVMJKFSROYHAID-HOCLYGCPSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337139 485043337 /nfs/dbraw/zinc/04/33/37/485043337.db2.gz BVMJKFSROYHAID-HOCLYGCPSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337140 485043550 /nfs/dbraw/zinc/04/35/50/485043550.db2.gz BVMJKFSROYHAID-ZBFHGGJFSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337140 485043541 /nfs/dbraw/zinc/04/35/41/485043541.db2.gz BVMJKFSROYHAID-ZBFHGGJFSA-N 2 1 361.446 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337187 485043872 /nfs/dbraw/zinc/04/38/72/485043872.db2.gz DYHGULZJTLFODY-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337187 485043862 /nfs/dbraw/zinc/04/38/62/485043862.db2.gz DYHGULZJTLFODY-BBRMVZONSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337188 485045077 /nfs/dbraw/zinc/04/50/77/485045077.db2.gz DYHGULZJTLFODY-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337188 485045072 /nfs/dbraw/zinc/04/50/72/485045072.db2.gz DYHGULZJTLFODY-CJNGLKHVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337189 485044951 /nfs/dbraw/zinc/04/49/51/485044951.db2.gz DYHGULZJTLFODY-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337189 485044941 /nfs/dbraw/zinc/04/49/41/485044941.db2.gz DYHGULZJTLFODY-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337190 485043810 /nfs/dbraw/zinc/04/38/10/485043810.db2.gz DYHGULZJTLFODY-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337190 485043801 /nfs/dbraw/zinc/04/38/01/485043801.db2.gz DYHGULZJTLFODY-XJKSGUPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337801 485043314 /nfs/dbraw/zinc/04/33/14/485043314.db2.gz ITUNDDAWAGQVQJ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000685337801 485043307 /nfs/dbraw/zinc/04/33/07/485043307.db2.gz ITUNDDAWAGQVQJ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337802 485045768 /nfs/dbraw/zinc/04/57/68/485045768.db2.gz ITUNDDAWAGQVQJ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000685337802 485045761 /nfs/dbraw/zinc/04/57/61/485045761.db2.gz ITUNDDAWAGQVQJ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000685337803 485044658 /nfs/dbraw/zinc/04/46/58/485044658.db2.gz ITUNDDAWAGQVQJ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H]1C[N@H+](C)CCO1 ZINC000685337803 485044648 /nfs/dbraw/zinc/04/46/48/485044648.db2.gz ITUNDDAWAGQVQJ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000685337804 485043695 /nfs/dbraw/zinc/04/36/95/485043695.db2.gz ITUNDDAWAGQVQJ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H]1C[N@H+](C)CCO1 ZINC000685337804 485043689 /nfs/dbraw/zinc/04/36/89/485043689.db2.gz ITUNDDAWAGQVQJ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338398 485046716 /nfs/dbraw/zinc/04/67/16/485046716.db2.gz PFERCDUJRRRSOR-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338398 485046713 /nfs/dbraw/zinc/04/67/13/485046713.db2.gz PFERCDUJRRRSOR-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338400 485047400 /nfs/dbraw/zinc/04/74/00/485047400.db2.gz PFERCDUJRRRSOR-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338400 485047393 /nfs/dbraw/zinc/04/73/93/485047393.db2.gz PFERCDUJRRRSOR-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338402 485047565 /nfs/dbraw/zinc/04/75/65/485047565.db2.gz PFERCDUJRRRSOR-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338402 485047559 /nfs/dbraw/zinc/04/75/59/485047559.db2.gz PFERCDUJRRRSOR-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338403 485046960 /nfs/dbraw/zinc/04/69/60/485046960.db2.gz PFERCDUJRRRSOR-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338403 485046956 /nfs/dbraw/zinc/04/69/56/485046956.db2.gz PFERCDUJRRRSOR-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339387 485047807 /nfs/dbraw/zinc/04/78/07/485047807.db2.gz JGXRFDSPDCPRPC-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[C@@H]1C[N@H+](C)CCO1 ZINC000685339387 485047802 /nfs/dbraw/zinc/04/78/02/485047802.db2.gz JGXRFDSPDCPRPC-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@@H]1C[NH+](C)CCO1 ZINC000685339387 485047797 /nfs/dbraw/zinc/04/77/97/485047797.db2.gz JGXRFDSPDCPRPC-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@@H]1C[NH+](C)CCO1 ZINC000685339387 485047792 /nfs/dbraw/zinc/04/77/92/485047792.db2.gz JGXRFDSPDCPRPC-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339388 485047473 /nfs/dbraw/zinc/04/74/73/485047473.db2.gz JGXRFDSPDCPRPC-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[C@@H]1C[N@H+](C)CCO1 ZINC000685339388 485047467 /nfs/dbraw/zinc/04/74/67/485047467.db2.gz JGXRFDSPDCPRPC-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@@H]1C[NH+](C)CCO1 ZINC000685339388 485047457 /nfs/dbraw/zinc/04/74/57/485047457.db2.gz JGXRFDSPDCPRPC-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@@H]1C[NH+](C)CCO1 ZINC000685339388 485047452 /nfs/dbraw/zinc/04/74/52/485047452.db2.gz JGXRFDSPDCPRPC-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[C@H]1C[N@@H+](C)CCO1 ZINC000685339390 485047986 /nfs/dbraw/zinc/04/79/86/485047986.db2.gz JGXRFDSPDCPRPC-XUWVNRHRSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[C@H]1C[N@H+](C)CCO1 ZINC000685339390 485047980 /nfs/dbraw/zinc/04/79/80/485047980.db2.gz JGXRFDSPDCPRPC-XUWVNRHRSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H]1C[NH+](C)CCO1 ZINC000685339390 485047975 /nfs/dbraw/zinc/04/79/75/485047975.db2.gz JGXRFDSPDCPRPC-XUWVNRHRSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H]1C[NH+](C)CCO1 ZINC000685339390 485047970 /nfs/dbraw/zinc/04/79/70/485047970.db2.gz JGXRFDSPDCPRPC-XUWVNRHRSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[C@H]1C[N@@H+](C)CCO1 ZINC000685339395 485047658 /nfs/dbraw/zinc/04/76/58/485047658.db2.gz JGXRFDSPDCPRPC-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[C@H]1C[N@H+](C)CCO1 ZINC000685339395 485047654 /nfs/dbraw/zinc/04/76/54/485047654.db2.gz JGXRFDSPDCPRPC-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H]1C[NH+](C)CCO1 ZINC000685339395 485047648 /nfs/dbraw/zinc/04/76/48/485047648.db2.gz JGXRFDSPDCPRPC-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H]1C[NH+](C)CCO1 ZINC000685339395 485047645 /nfs/dbraw/zinc/04/76/45/485047645.db2.gz JGXRFDSPDCPRPC-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341755 485049893 /nfs/dbraw/zinc/04/98/93/485049893.db2.gz PQBISXUZLOUERT-GDBMZVCRSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341755 485049887 /nfs/dbraw/zinc/04/98/87/485049887.db2.gz PQBISXUZLOUERT-GDBMZVCRSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341760 485052600 /nfs/dbraw/zinc/05/26/00/485052600.db2.gz PQBISXUZLOUERT-GOEBONIOSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341760 485052594 /nfs/dbraw/zinc/05/25/94/485052594.db2.gz PQBISXUZLOUERT-GOEBONIOSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341764 485051475 /nfs/dbraw/zinc/05/14/75/485051475.db2.gz PQBISXUZLOUERT-HOCLYGCPSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341764 485051467 /nfs/dbraw/zinc/05/14/67/485051467.db2.gz PQBISXUZLOUERT-HOCLYGCPSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341768 485052671 /nfs/dbraw/zinc/05/26/71/485052671.db2.gz PQBISXUZLOUERT-ZBFHGGJFSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341768 485052668 /nfs/dbraw/zinc/05/26/68/485052668.db2.gz PQBISXUZLOUERT-ZBFHGGJFSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341905 485052866 /nfs/dbraw/zinc/05/28/66/485052866.db2.gz TYUKFIADYBBFRP-CAOSSQGBSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685341905 485052862 /nfs/dbraw/zinc/05/28/62/485052862.db2.gz TYUKFIADYBBFRP-CAOSSQGBSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685341905 485052854 /nfs/dbraw/zinc/05/28/54/485052854.db2.gz TYUKFIADYBBFRP-CAOSSQGBSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685341905 485052851 /nfs/dbraw/zinc/05/28/51/485052851.db2.gz TYUKFIADYBBFRP-CAOSSQGBSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341906 485053543 /nfs/dbraw/zinc/05/35/43/485053543.db2.gz TYUKFIADYBBFRP-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341906 485053536 /nfs/dbraw/zinc/05/35/36/485053536.db2.gz TYUKFIADYBBFRP-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685341906 485053530 /nfs/dbraw/zinc/05/35/30/485053530.db2.gz TYUKFIADYBBFRP-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685341906 485053523 /nfs/dbraw/zinc/05/35/23/485053523.db2.gz TYUKFIADYBBFRP-JJXSEGSLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341907 485053275 /nfs/dbraw/zinc/05/32/75/485053275.db2.gz TYUKFIADYBBFRP-JONQDZQNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341907 485053270 /nfs/dbraw/zinc/05/32/70/485053270.db2.gz TYUKFIADYBBFRP-JONQDZQNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685341907 485053267 /nfs/dbraw/zinc/05/32/67/485053267.db2.gz TYUKFIADYBBFRP-JONQDZQNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685341907 485053264 /nfs/dbraw/zinc/05/32/64/485053264.db2.gz TYUKFIADYBBFRP-JONQDZQNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341908 485052006 /nfs/dbraw/zinc/05/20/06/485052006.db2.gz TYUKFIADYBBFRP-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685341908 485052001 /nfs/dbraw/zinc/05/20/01/485052001.db2.gz TYUKFIADYBBFRP-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685341908 485051997 /nfs/dbraw/zinc/05/19/97/485051997.db2.gz TYUKFIADYBBFRP-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685341908 485051992 /nfs/dbraw/zinc/05/19/92/485051992.db2.gz TYUKFIADYBBFRP-ZJIFWQFVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343326 485055036 /nfs/dbraw/zinc/05/50/36/485055036.db2.gz MBJPXIKGEDXBIQ-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343326 485055029 /nfs/dbraw/zinc/05/50/29/485055029.db2.gz MBJPXIKGEDXBIQ-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343327 485054116 /nfs/dbraw/zinc/05/41/16/485054116.db2.gz MBJPXIKGEDXBIQ-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343327 485054110 /nfs/dbraw/zinc/05/41/10/485054110.db2.gz MBJPXIKGEDXBIQ-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343328 485054587 /nfs/dbraw/zinc/05/45/87/485054587.db2.gz MBJPXIKGEDXBIQ-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343328 485054582 /nfs/dbraw/zinc/05/45/82/485054582.db2.gz MBJPXIKGEDXBIQ-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343329 485054527 /nfs/dbraw/zinc/05/45/27/485054527.db2.gz MBJPXIKGEDXBIQ-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343329 485054524 /nfs/dbraw/zinc/05/45/24/485054524.db2.gz MBJPXIKGEDXBIQ-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343523 485054423 /nfs/dbraw/zinc/05/44/23/485054423.db2.gz MJKPZQQVAHVRDR-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685343523 485054418 /nfs/dbraw/zinc/05/44/18/485054418.db2.gz MJKPZQQVAHVRDR-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343524 485054825 /nfs/dbraw/zinc/05/48/25/485054825.db2.gz MJKPZQQVAHVRDR-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685343524 485054821 /nfs/dbraw/zinc/05/48/21/485054821.db2.gz MJKPZQQVAHVRDR-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343525 485054157 /nfs/dbraw/zinc/05/41/57/485054157.db2.gz MJKPZQQVAHVRDR-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343525 485054150 /nfs/dbraw/zinc/05/41/50/485054150.db2.gz MJKPZQQVAHVRDR-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343526 485054073 /nfs/dbraw/zinc/05/40/73/485054073.db2.gz MJKPZQQVAHVRDR-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343526 485054066 /nfs/dbraw/zinc/05/40/66/485054066.db2.gz MJKPZQQVAHVRDR-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344368 485054467 /nfs/dbraw/zinc/05/44/67/485054467.db2.gz VURATUKXZLYNNJ-ARFHVFGLSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1C[N@H+](C)CCO1 ZINC000685344368 485054460 /nfs/dbraw/zinc/05/44/60/485054460.db2.gz VURATUKXZLYNNJ-ARFHVFGLSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344369 485053967 /nfs/dbraw/zinc/05/39/67/485053967.db2.gz VURATUKXZLYNNJ-HRCADAONSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1C[N@H+](C)CCO1 ZINC000685344369 485053963 /nfs/dbraw/zinc/05/39/63/485053963.db2.gz VURATUKXZLYNNJ-HRCADAONSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344370 485054986 /nfs/dbraw/zinc/05/49/86/485054986.db2.gz VURATUKXZLYNNJ-JYJNAYRXSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344370 485054982 /nfs/dbraw/zinc/05/49/82/485054982.db2.gz VURATUKXZLYNNJ-JYJNAYRXSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344371 485055477 /nfs/dbraw/zinc/05/54/77/485055477.db2.gz VURATUKXZLYNNJ-XHSDSOJGSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344371 485055472 /nfs/dbraw/zinc/05/54/72/485055472.db2.gz VURATUKXZLYNNJ-XHSDSOJGSA-N 2 1 370.494 -0.609 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344450 485053954 /nfs/dbraw/zinc/05/39/54/485053954.db2.gz XBAIXNBYEIYQBH-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685344450 485053949 /nfs/dbraw/zinc/05/39/49/485053949.db2.gz XBAIXNBYEIYQBH-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344451 485054055 /nfs/dbraw/zinc/05/40/55/485054055.db2.gz XBAIXNBYEIYQBH-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685344451 485054046 /nfs/dbraw/zinc/05/40/46/485054046.db2.gz XBAIXNBYEIYQBH-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344452 485055705 /nfs/dbraw/zinc/05/57/05/485055705.db2.gz XBAIXNBYEIYQBH-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344452 485055699 /nfs/dbraw/zinc/05/56/99/485055699.db2.gz XBAIXNBYEIYQBH-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344453 485054034 /nfs/dbraw/zinc/05/40/34/485054034.db2.gz XBAIXNBYEIYQBH-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344453 485054031 /nfs/dbraw/zinc/05/40/31/485054031.db2.gz XBAIXNBYEIYQBH-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000685796382 485070697 /nfs/dbraw/zinc/07/06/97/485070697.db2.gz FRJASOYQTYWPTG-PBHICJAKSA-N 2 1 353.467 -0.088 20 0 FBADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000685796383 485071035 /nfs/dbraw/zinc/07/10/35/485071035.db2.gz FRJASOYQTYWPTG-RHSMWYFYSA-N 2 1 353.467 -0.088 20 0 FBADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000685796384 485070991 /nfs/dbraw/zinc/07/09/91/485070991.db2.gz FRJASOYQTYWPTG-WMLDXEAASA-N 2 1 353.467 -0.088 20 0 FBADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000685796385 485070631 /nfs/dbraw/zinc/07/06/31/485070631.db2.gz FRJASOYQTYWPTG-YOEHRIQHSA-N 2 1 353.467 -0.088 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCNS(C)(=O)=O)CC1 ZINC000727080084 659018006 /nfs/dbraw/zinc/01/80/06/659018006.db2.gz DNIYEDMSWYZDEB-UHFFFAOYSA-N 2 1 372.520 -0.331 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](CCC(N)=O)C1)C2=O ZINC000727167117 659020952 /nfs/dbraw/zinc/02/09/52/659020952.db2.gz GPKCGQVGUDHNPL-CYBMUJFWSA-N 2 1 351.451 -0.062 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](CCC(N)=O)C1)C2=O ZINC000727167117 659020946 /nfs/dbraw/zinc/02/09/46/659020946.db2.gz GPKCGQVGUDHNPL-CYBMUJFWSA-N 2 1 351.451 -0.062 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](CCC(N)=O)C1)C2=O ZINC000727167118 659020585 /nfs/dbraw/zinc/02/05/85/659020585.db2.gz GPKCGQVGUDHNPL-ZDUSSCGKSA-N 2 1 351.451 -0.062 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)C2=O ZINC000727167118 659020577 /nfs/dbraw/zinc/02/05/77/659020577.db2.gz GPKCGQVGUDHNPL-ZDUSSCGKSA-N 2 1 351.451 -0.062 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496063 659964214 /nfs/dbraw/zinc/96/42/14/659964214.db2.gz COYDKFVRQOVEMW-CABCVRRESA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496063 659964211 /nfs/dbraw/zinc/96/42/11/659964211.db2.gz COYDKFVRQOVEMW-CABCVRRESA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496064 659964248 /nfs/dbraw/zinc/96/42/48/659964248.db2.gz COYDKFVRQOVEMW-GJZGRUSLSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496064 659964245 /nfs/dbraw/zinc/96/42/45/659964245.db2.gz COYDKFVRQOVEMW-GJZGRUSLSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496065 659964294 /nfs/dbraw/zinc/96/42/94/659964294.db2.gz COYDKFVRQOVEMW-HUUCEWRRSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496065 659964291 /nfs/dbraw/zinc/96/42/91/659964291.db2.gz COYDKFVRQOVEMW-HUUCEWRRSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496066 659964346 /nfs/dbraw/zinc/96/43/46/659964346.db2.gz COYDKFVRQOVEMW-LSDHHAIUSA-N 2 1 353.467 -0.641 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496066 659964345 /nfs/dbraw/zinc/96/43/45/659964345.db2.gz COYDKFVRQOVEMW-LSDHHAIUSA-N 2 1 353.467 -0.641 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736857330 599489165 /nfs/dbraw/zinc/48/91/65/599489165.db2.gz QTALTSNTJAVMOJ-UHFFFAOYSA-N 2 1 369.433 -0.232 20 0 FBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736857348 598530674 /nfs/dbraw/zinc/53/06/74/598530674.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 2 1 374.497 -0.278 20 0 FBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736857350 598530785 /nfs/dbraw/zinc/53/07/85/598530785.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 2 1 374.497 -0.278 20 0 FBADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000737007915 598526295 /nfs/dbraw/zinc/52/62/95/598526295.db2.gz QNXUPCBBGYSBIX-GFCCVEGCSA-N 2 1 361.454 -0.195 20 0 FBADMP COCC[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000737007917 598526445 /nfs/dbraw/zinc/52/64/45/598526445.db2.gz QNXUPCBBGYSBIX-LBPRGKRZSA-N 2 1 361.454 -0.195 20 0 FBADMP OCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738393645 598350819 /nfs/dbraw/zinc/35/08/19/598350819.db2.gz LBOKTKRRKIAEGO-HNNXBMFYSA-N 2 1 362.434 -0.347 20 0 FBADMP OCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738393648 598350517 /nfs/dbraw/zinc/35/05/17/598350517.db2.gz LBOKTKRRKIAEGO-OAHLLOKOSA-N 2 1 362.434 -0.347 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000738450825 598531371 /nfs/dbraw/zinc/53/13/71/598531371.db2.gz XVYNFTPJACGSDF-AVGNSLFASA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000738450825 598531370 /nfs/dbraw/zinc/53/13/70/598531370.db2.gz XVYNFTPJACGSDF-AVGNSLFASA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000738450826 598531520 /nfs/dbraw/zinc/53/15/20/598531520.db2.gz XVYNFTPJACGSDF-RWMBFGLXSA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000738450826 598531518 /nfs/dbraw/zinc/53/15/18/598531518.db2.gz XVYNFTPJACGSDF-RWMBFGLXSA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000738450828 598531606 /nfs/dbraw/zinc/53/16/06/598531606.db2.gz XVYNFTPJACGSDF-XQQFMLRXSA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000738450828 598531604 /nfs/dbraw/zinc/53/16/04/598531604.db2.gz XVYNFTPJACGSDF-XQQFMLRXSA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000738450831 598531744 /nfs/dbraw/zinc/53/17/44/598531744.db2.gz XVYNFTPJACGSDF-YNEHKIRRSA-N 2 1 359.438 -0.442 20 0 FBADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000738450831 598531743 /nfs/dbraw/zinc/53/17/43/598531743.db2.gz XVYNFTPJACGSDF-YNEHKIRRSA-N 2 1 359.438 -0.442 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[NH+]2CCOCC2)cn1 ZINC000741713204 660565165 /nfs/dbraw/zinc/56/51/65/660565165.db2.gz JPYLAYKDLXXHJF-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000774854634 660804427 /nfs/dbraw/zinc/80/44/27/660804427.db2.gz BLZMPLYHNGIVAN-CVEARBPZSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000774854637 660804470 /nfs/dbraw/zinc/80/44/70/660804470.db2.gz BLZMPLYHNGIVAN-HOTGVXAUSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000774854639 660804420 /nfs/dbraw/zinc/80/44/20/660804420.db2.gz BLZMPLYHNGIVAN-HZPDHXFCSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000774854641 660804337 /nfs/dbraw/zinc/80/43/37/660804337.db2.gz BLZMPLYHNGIVAN-JKSUJKDBSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000774864963 660804312 /nfs/dbraw/zinc/80/43/12/660804312.db2.gz JTCZLKVXTGYDAP-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000774864968 660804400 /nfs/dbraw/zinc/80/44/00/660804400.db2.gz JTCZLKVXTGYDAP-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000774864973 660804346 /nfs/dbraw/zinc/80/43/46/660804346.db2.gz JTCZLKVXTGYDAP-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000774864981 660804436 /nfs/dbraw/zinc/80/44/36/660804436.db2.gz JTCZLKVXTGYDAP-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000779653401 660836517 /nfs/dbraw/zinc/83/65/17/660836517.db2.gz LQBDXLVGCRBHKM-AWEZNQCLSA-N 2 1 352.439 -0.014 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000779653401 660836515 /nfs/dbraw/zinc/83/65/15/660836515.db2.gz LQBDXLVGCRBHKM-AWEZNQCLSA-N 2 1 352.439 -0.014 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000779653403 660836545 /nfs/dbraw/zinc/83/65/45/660836545.db2.gz LQBDXLVGCRBHKM-CQSZACIVSA-N 2 1 352.439 -0.014 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000779653403 660836543 /nfs/dbraw/zinc/83/65/43/660836543.db2.gz LQBDXLVGCRBHKM-CQSZACIVSA-N 2 1 352.439 -0.014 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000779655742 660836769 /nfs/dbraw/zinc/83/67/69/660836769.db2.gz VKOFTEQRPWERPZ-GFCCVEGCSA-N 2 1 357.455 -0.375 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000779655742 660836766 /nfs/dbraw/zinc/83/67/66/660836766.db2.gz VKOFTEQRPWERPZ-GFCCVEGCSA-N 2 1 357.455 -0.375 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000779655752 660836703 /nfs/dbraw/zinc/83/67/03/660836703.db2.gz VKOFTEQRPWERPZ-LBPRGKRZSA-N 2 1 357.455 -0.375 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000779655752 660836700 /nfs/dbraw/zinc/83/67/00/660836700.db2.gz VKOFTEQRPWERPZ-LBPRGKRZSA-N 2 1 357.455 -0.375 20 0 FBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785518696 660870537 /nfs/dbraw/zinc/87/05/37/660870537.db2.gz WTPFNNXAZKJKPI-CVEARBPZSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785518697 660870469 /nfs/dbraw/zinc/87/04/69/660870469.db2.gz WTPFNNXAZKJKPI-HOTGVXAUSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785518698 660870521 /nfs/dbraw/zinc/87/05/21/660870521.db2.gz WTPFNNXAZKJKPI-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785518699 660870384 /nfs/dbraw/zinc/87/03/84/660870384.db2.gz WTPFNNXAZKJKPI-JKSUJKDBSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086092 660875244 /nfs/dbraw/zinc/87/52/44/660875244.db2.gz MSGGQDNRYPFFGZ-CVEARBPZSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086095 660875306 /nfs/dbraw/zinc/87/53/06/660875306.db2.gz MSGGQDNRYPFFGZ-HOTGVXAUSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086096 660875209 /nfs/dbraw/zinc/87/52/09/660875209.db2.gz MSGGQDNRYPFFGZ-HZPDHXFCSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086097 660875314 /nfs/dbraw/zinc/87/53/14/660875314.db2.gz MSGGQDNRYPFFGZ-JKSUJKDBSA-N 2 1 350.463 -0.291 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000787099671 660883173 /nfs/dbraw/zinc/88/31/73/660883173.db2.gz BHBMQXUGKWQYDW-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000787099674 660883231 /nfs/dbraw/zinc/88/32/31/660883231.db2.gz BHBMQXUGKWQYDW-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121162 660883294 /nfs/dbraw/zinc/88/32/94/660883294.db2.gz DIRPVNHNNYHWST-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121163 660883196 /nfs/dbraw/zinc/88/31/96/660883196.db2.gz DIRPVNHNNYHWST-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121164 660883161 /nfs/dbraw/zinc/88/31/61/660883161.db2.gz DIRPVNHNNYHWST-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121165 660883316 /nfs/dbraw/zinc/88/33/16/660883316.db2.gz DIRPVNHNNYHWST-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664759 660886994 /nfs/dbraw/zinc/88/69/94/660886994.db2.gz UTTVBLMIZFRSAO-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787664760 660887170 /nfs/dbraw/zinc/88/71/70/660887170.db2.gz UTTVBLMIZFRSAO-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664761 660886981 /nfs/dbraw/zinc/88/69/81/660886981.db2.gz UTTVBLMIZFRSAO-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787664762 660887024 /nfs/dbraw/zinc/88/70/24/660887024.db2.gz UTTVBLMIZFRSAO-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887090 /nfs/dbraw/zinc/88/70/90/660887090.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887088 /nfs/dbraw/zinc/88/70/88/660887088.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887086 /nfs/dbraw/zinc/88/70/86/660887086.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887248 /nfs/dbraw/zinc/88/72/48/660887248.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887244 /nfs/dbraw/zinc/88/72/44/660887244.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887239 /nfs/dbraw/zinc/88/72/39/660887239.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886954 /nfs/dbraw/zinc/88/69/54/660886954.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886952 /nfs/dbraw/zinc/88/69/52/660886952.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886947 /nfs/dbraw/zinc/88/69/47/660886947.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887207 /nfs/dbraw/zinc/88/72/07/660887207.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887205 /nfs/dbraw/zinc/88/72/05/660887205.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887201 /nfs/dbraw/zinc/88/72/01/660887201.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787753626 660887737 /nfs/dbraw/zinc/88/77/37/660887737.db2.gz ZUXUHLSRZGAMND-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787753628 660887767 /nfs/dbraw/zinc/88/77/67/660887767.db2.gz ZUXUHLSRZGAMND-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787753630 660887899 /nfs/dbraw/zinc/88/78/99/660887899.db2.gz ZUXUHLSRZGAMND-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787753631 660887789 /nfs/dbraw/zinc/88/77/89/660887789.db2.gz ZUXUHLSRZGAMND-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCSC1 ZINC000788244947 660891712 /nfs/dbraw/zinc/89/17/12/660891712.db2.gz OYPMBWZXELWVTG-CPUCHLNUSA-N 2 1 370.519 -0.481 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCSC1 ZINC000788244999 660891603 /nfs/dbraw/zinc/89/16/03/660891603.db2.gz OYPMBWZXELWVTG-KEYYUXOJSA-N 2 1 370.519 -0.481 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCSC1 ZINC000788245003 660891623 /nfs/dbraw/zinc/89/16/23/660891623.db2.gz OYPMBWZXELWVTG-VBQJREDUSA-N 2 1 370.519 -0.481 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCSC1 ZINC000788245008 660891754 /nfs/dbraw/zinc/89/17/54/660891754.db2.gz OYPMBWZXELWVTG-ZQIUZPCESA-N 2 1 370.519 -0.481 20 0 FBADMP CN1CCN(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC000788473924 660894699 /nfs/dbraw/zinc/89/46/99/660894699.db2.gz CGAKUVIBWWYIGZ-UHFFFAOYSA-N 2 1 359.540 -0.562 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788571143 660895029 /nfs/dbraw/zinc/89/50/29/660895029.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788571143 660895025 /nfs/dbraw/zinc/89/50/25/660895025.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000788571143 660895022 /nfs/dbraw/zinc/89/50/22/660895022.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788571145 660894855 /nfs/dbraw/zinc/89/48/55/660894855.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788571145 660894852 /nfs/dbraw/zinc/89/48/52/660894852.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000788571145 660894847 /nfs/dbraw/zinc/89/48/47/660894847.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788571147 660894893 /nfs/dbraw/zinc/89/48/93/660894893.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788571147 660894890 /nfs/dbraw/zinc/89/48/90/660894890.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000788571147 660894884 /nfs/dbraw/zinc/89/48/84/660894884.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788571149 660895049 /nfs/dbraw/zinc/89/50/49/660895049.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788571149 660895046 /nfs/dbraw/zinc/89/50/46/660895046.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000788571149 660895042 /nfs/dbraw/zinc/89/50/42/660895042.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788799132 660896192 /nfs/dbraw/zinc/89/61/92/660896192.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788799132 660896189 /nfs/dbraw/zinc/89/61/89/660896189.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788799132 660896185 /nfs/dbraw/zinc/89/61/85/660896185.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788799134 660896311 /nfs/dbraw/zinc/89/63/11/660896311.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788799134 660896308 /nfs/dbraw/zinc/89/63/08/660896308.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788799134 660896306 /nfs/dbraw/zinc/89/63/06/660896306.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788799136 660896245 /nfs/dbraw/zinc/89/62/45/660896245.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788799136 660896243 /nfs/dbraw/zinc/89/62/43/660896243.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788799136 660896241 /nfs/dbraw/zinc/89/62/41/660896241.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788799138 660896210 /nfs/dbraw/zinc/89/62/10/660896210.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788799138 660896208 /nfs/dbraw/zinc/89/62/08/660896208.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788799138 660896205 /nfs/dbraw/zinc/89/62/05/660896205.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 2 1 350.463 -0.434 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788922184 660896987 /nfs/dbraw/zinc/89/69/87/660896987.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788922184 660896985 /nfs/dbraw/zinc/89/69/85/660896985.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788922184 660896982 /nfs/dbraw/zinc/89/69/82/660896982.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788922190 660896956 /nfs/dbraw/zinc/89/69/56/660896956.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788922190 660896955 /nfs/dbraw/zinc/89/69/55/660896955.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788922190 660896952 /nfs/dbraw/zinc/89/69/52/660896952.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788922191 660896875 /nfs/dbraw/zinc/89/68/75/660896875.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788922191 660896872 /nfs/dbraw/zinc/89/68/72/660896872.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788922191 660896870 /nfs/dbraw/zinc/89/68/70/660896870.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788922192 660896845 /nfs/dbraw/zinc/89/68/45/660896845.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788922192 660896844 /nfs/dbraw/zinc/89/68/44/660896844.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788922192 660896843 /nfs/dbraw/zinc/89/68/43/660896843.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184770 660904211 /nfs/dbraw/zinc/90/42/11/660904211.db2.gz ARPAFDGDHRTQSW-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184772 660904169 /nfs/dbraw/zinc/90/41/69/660904169.db2.gz ARPAFDGDHRTQSW-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184774 660904269 /nfs/dbraw/zinc/90/42/69/660904269.db2.gz ARPAFDGDHRTQSW-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184775 660904162 /nfs/dbraw/zinc/90/41/62/660904162.db2.gz ARPAFDGDHRTQSW-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790274677 660904682 /nfs/dbraw/zinc/90/46/82/660904682.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790274677 660904681 /nfs/dbraw/zinc/90/46/81/660904681.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000790274677 660904679 /nfs/dbraw/zinc/90/46/79/660904679.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790274679 660904707 /nfs/dbraw/zinc/90/47/07/660904707.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000790274679 660904705 /nfs/dbraw/zinc/90/47/05/660904705.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000790274679 660904703 /nfs/dbraw/zinc/90/47/03/660904703.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790274681 660904756 /nfs/dbraw/zinc/90/47/56/660904756.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000790274681 660904755 /nfs/dbraw/zinc/90/47/55/660904755.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000790274681 660904753 /nfs/dbraw/zinc/90/47/53/660904753.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790274683 660904736 /nfs/dbraw/zinc/90/47/36/660904736.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790274683 660904735 /nfs/dbraw/zinc/90/47/35/660904735.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000790274683 660904733 /nfs/dbraw/zinc/90/47/33/660904733.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 2 1 350.463 -0.291 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000793715699 660922958 /nfs/dbraw/zinc/92/29/58/660922958.db2.gz WQUBHXTVGZWGII-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000793715700 660923024 /nfs/dbraw/zinc/92/30/24/660923024.db2.gz WQUBHXTVGZWGII-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000793715701 660923110 /nfs/dbraw/zinc/92/31/10/660923110.db2.gz WQUBHXTVGZWGII-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000793715702 660923062 /nfs/dbraw/zinc/92/30/62/660923062.db2.gz WQUBHXTVGZWGII-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000793727428 660923094 /nfs/dbraw/zinc/92/30/94/660923094.db2.gz SZLFUEQNAXJSPZ-HNNXBMFYSA-N 2 1 354.495 -0.108 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000793727432 660923123 /nfs/dbraw/zinc/92/31/23/660923123.db2.gz SZLFUEQNAXJSPZ-OAHLLOKOSA-N 2 1 354.495 -0.108 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000793814071 660923559 /nfs/dbraw/zinc/92/35/59/660923559.db2.gz LZWVWQQOFHIQKY-CVEARBPZSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000793814073 660923718 /nfs/dbraw/zinc/92/37/18/660923718.db2.gz LZWVWQQOFHIQKY-HOTGVXAUSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000793814077 660923669 /nfs/dbraw/zinc/92/36/69/660923669.db2.gz LZWVWQQOFHIQKY-HZPDHXFCSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000793814175 660923617 /nfs/dbraw/zinc/92/36/17/660923617.db2.gz LZWVWQQOFHIQKY-JKSUJKDBSA-N 2 1 352.479 -0.186 20 0 FBADMP COC(=O)[C@H]1[C@@H]2C[NH+](CCOCC[N@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794966350 660936471 /nfs/dbraw/zinc/93/64/71/660936471.db2.gz FNBUFLUHGOZUGC-FRMPLNAESA-N 2 1 352.431 -0.295 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)CCNC(=O)OC(C)(C)C)CC1 ZINC000801542409 662309377 /nfs/dbraw/zinc/30/93/77/662309377.db2.gz SVNLMXUFHMBNRU-UHFFFAOYSA-N 2 1 358.483 -0.031 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)CCNC(=O)OC(C)(C)C)CC1 ZINC000801542409 662309374 /nfs/dbraw/zinc/30/93/74/662309374.db2.gz SVNLMXUFHMBNRU-UHFFFAOYSA-N 2 1 358.483 -0.031 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804048954 660966643 /nfs/dbraw/zinc/96/66/43/660966643.db2.gz AQCZWEZSMPQCOM-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804048961 660966613 /nfs/dbraw/zinc/96/66/13/660966613.db2.gz AQCZWEZSMPQCOM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804048963 660966539 /nfs/dbraw/zinc/96/65/39/660966539.db2.gz AQCZWEZSMPQCOM-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804048965 660966609 /nfs/dbraw/zinc/96/66/09/660966609.db2.gz AQCZWEZSMPQCOM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000804049590 660966620 /nfs/dbraw/zinc/96/66/20/660966620.db2.gz DRCYRDWXWGKPAP-ARFHVFGLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000804049591 660966557 /nfs/dbraw/zinc/96/65/57/660966557.db2.gz DRCYRDWXWGKPAP-BZUAXINKSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000804049592 660966530 /nfs/dbraw/zinc/96/65/30/660966530.db2.gz DRCYRDWXWGKPAP-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000804049593 660966586 /nfs/dbraw/zinc/96/65/86/660966586.db2.gz DRCYRDWXWGKPAP-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000804051533 660966845 /nfs/dbraw/zinc/96/68/45/660966845.db2.gz SIOPNYZJICASTJ-ARFHVFGLSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000804051533 660966844 /nfs/dbraw/zinc/96/68/44/660966844.db2.gz SIOPNYZJICASTJ-ARFHVFGLSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000804051533 660966842 /nfs/dbraw/zinc/96/68/42/660966842.db2.gz SIOPNYZJICASTJ-ARFHVFGLSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000804051534 660967394 /nfs/dbraw/zinc/96/73/94/660967394.db2.gz SIOPNYZJICASTJ-BZUAXINKSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000804051534 660967393 /nfs/dbraw/zinc/96/73/93/660967393.db2.gz SIOPNYZJICASTJ-BZUAXINKSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000804051534 660967392 /nfs/dbraw/zinc/96/73/92/660967392.db2.gz SIOPNYZJICASTJ-BZUAXINKSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000804051535 660967266 /nfs/dbraw/zinc/96/72/66/660967266.db2.gz SIOPNYZJICASTJ-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000804051535 660967265 /nfs/dbraw/zinc/96/72/65/660967265.db2.gz SIOPNYZJICASTJ-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000804051535 660967263 /nfs/dbraw/zinc/96/72/63/660967263.db2.gz SIOPNYZJICASTJ-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000804051536 660967183 /nfs/dbraw/zinc/96/71/83/660967183.db2.gz SIOPNYZJICASTJ-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000804051536 660967180 /nfs/dbraw/zinc/96/71/80/660967180.db2.gz SIOPNYZJICASTJ-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000804051536 660967178 /nfs/dbraw/zinc/96/71/78/660967178.db2.gz SIOPNYZJICASTJ-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804052528 660967158 /nfs/dbraw/zinc/96/71/58/660967158.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804052528 660967156 /nfs/dbraw/zinc/96/71/56/660967156.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804052528 660967154 /nfs/dbraw/zinc/96/71/54/660967154.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804052529 660967288 /nfs/dbraw/zinc/96/72/88/660967288.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804052529 660967286 /nfs/dbraw/zinc/96/72/86/660967286.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804052529 660967284 /nfs/dbraw/zinc/96/72/84/660967284.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804052530 660967326 /nfs/dbraw/zinc/96/73/26/660967326.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804052530 660967324 /nfs/dbraw/zinc/96/73/24/660967324.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804052530 660967321 /nfs/dbraw/zinc/96/73/21/660967321.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804052532 660967235 /nfs/dbraw/zinc/96/72/35/660967235.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804052532 660967231 /nfs/dbraw/zinc/96/72/31/660967231.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804052532 660967230 /nfs/dbraw/zinc/96/72/30/660967230.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804052971 660967254 /nfs/dbraw/zinc/96/72/54/660967254.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804052971 660967252 /nfs/dbraw/zinc/96/72/52/660967252.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804052971 660967251 /nfs/dbraw/zinc/96/72/51/660967251.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804052972 660967146 /nfs/dbraw/zinc/96/71/46/660967146.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804052972 660967143 /nfs/dbraw/zinc/96/71/43/660967143.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804052972 660967142 /nfs/dbraw/zinc/96/71/42/660967142.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804052973 660967276 /nfs/dbraw/zinc/96/72/76/660967276.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804052973 660967273 /nfs/dbraw/zinc/96/72/73/660967273.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804052973 660967272 /nfs/dbraw/zinc/96/72/72/660967272.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804052974 660967378 /nfs/dbraw/zinc/96/73/78/660967378.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804052974 660967376 /nfs/dbraw/zinc/96/73/76/660967376.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804052974 660967374 /nfs/dbraw/zinc/96/73/74/660967374.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804053685 660967426 /nfs/dbraw/zinc/96/74/26/660967426.db2.gz LVTXEMDGWGMELP-CAOSSQGBSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804053685 660967425 /nfs/dbraw/zinc/96/74/25/660967425.db2.gz LVTXEMDGWGMELP-CAOSSQGBSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804053685 660967424 /nfs/dbraw/zinc/96/74/24/660967424.db2.gz LVTXEMDGWGMELP-CAOSSQGBSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804053685 660967421 /nfs/dbraw/zinc/96/74/21/660967421.db2.gz LVTXEMDGWGMELP-CAOSSQGBSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804053686 660967808 /nfs/dbraw/zinc/96/78/08/660967808.db2.gz LVTXEMDGWGMELP-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804053686 660967805 /nfs/dbraw/zinc/96/78/05/660967805.db2.gz LVTXEMDGWGMELP-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804053686 660967804 /nfs/dbraw/zinc/96/78/04/660967804.db2.gz LVTXEMDGWGMELP-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804053686 660967803 /nfs/dbraw/zinc/96/78/03/660967803.db2.gz LVTXEMDGWGMELP-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804053687 660967631 /nfs/dbraw/zinc/96/76/31/660967631.db2.gz LVTXEMDGWGMELP-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804053687 660967629 /nfs/dbraw/zinc/96/76/29/660967629.db2.gz LVTXEMDGWGMELP-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804053687 660967628 /nfs/dbraw/zinc/96/76/28/660967628.db2.gz LVTXEMDGWGMELP-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804053687 660967626 /nfs/dbraw/zinc/96/76/26/660967626.db2.gz LVTXEMDGWGMELP-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804053688 660967690 /nfs/dbraw/zinc/96/76/90/660967690.db2.gz LVTXEMDGWGMELP-YHUYYLMFSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804053688 660967687 /nfs/dbraw/zinc/96/76/87/660967687.db2.gz LVTXEMDGWGMELP-YHUYYLMFSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804053688 660967685 /nfs/dbraw/zinc/96/76/85/660967685.db2.gz LVTXEMDGWGMELP-YHUYYLMFSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804053688 660967684 /nfs/dbraw/zinc/96/76/84/660967684.db2.gz LVTXEMDGWGMELP-YHUYYLMFSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804054396 660967596 /nfs/dbraw/zinc/96/75/96/660967596.db2.gz SHNYGSLVDKCAON-JYJNAYRXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804054396 660967595 /nfs/dbraw/zinc/96/75/95/660967595.db2.gz SHNYGSLVDKCAON-JYJNAYRXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804054396 660967593 /nfs/dbraw/zinc/96/75/93/660967593.db2.gz SHNYGSLVDKCAON-JYJNAYRXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804054396 660967591 /nfs/dbraw/zinc/96/75/91/660967591.db2.gz SHNYGSLVDKCAON-JYJNAYRXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804054397 660967703 /nfs/dbraw/zinc/96/77/03/660967703.db2.gz SHNYGSLVDKCAON-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804054397 660967702 /nfs/dbraw/zinc/96/77/02/660967702.db2.gz SHNYGSLVDKCAON-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804054397 660967700 /nfs/dbraw/zinc/96/77/00/660967700.db2.gz SHNYGSLVDKCAON-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804054397 660967697 /nfs/dbraw/zinc/96/76/97/660967697.db2.gz SHNYGSLVDKCAON-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804054398 660967617 /nfs/dbraw/zinc/96/76/17/660967617.db2.gz SHNYGSLVDKCAON-PMPSAXMXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804054398 660967614 /nfs/dbraw/zinc/96/76/14/660967614.db2.gz SHNYGSLVDKCAON-PMPSAXMXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804054398 660967613 /nfs/dbraw/zinc/96/76/13/660967613.db2.gz SHNYGSLVDKCAON-PMPSAXMXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804054398 660967611 /nfs/dbraw/zinc/96/76/11/660967611.db2.gz SHNYGSLVDKCAON-PMPSAXMXSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804054399 660967799 /nfs/dbraw/zinc/96/77/99/660967799.db2.gz SHNYGSLVDKCAON-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804054399 660967797 /nfs/dbraw/zinc/96/77/97/660967797.db2.gz SHNYGSLVDKCAON-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804054399 660967796 /nfs/dbraw/zinc/96/77/96/660967796.db2.gz SHNYGSLVDKCAON-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804054399 660967795 /nfs/dbraw/zinc/96/77/95/660967795.db2.gz SHNYGSLVDKCAON-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055148 660967712 /nfs/dbraw/zinc/96/77/12/660967712.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055148 660967711 /nfs/dbraw/zinc/96/77/11/660967711.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804055148 660967710 /nfs/dbraw/zinc/96/77/10/660967710.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055149 660967560 /nfs/dbraw/zinc/96/75/60/660967560.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055149 660967559 /nfs/dbraw/zinc/96/75/59/660967559.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804055149 660967558 /nfs/dbraw/zinc/96/75/58/660967558.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055150 660967503 /nfs/dbraw/zinc/96/75/03/660967503.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055150 660967501 /nfs/dbraw/zinc/96/75/01/660967501.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804055150 660967496 /nfs/dbraw/zinc/96/74/96/660967496.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055151 660967736 /nfs/dbraw/zinc/96/77/36/660967736.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055151 660967735 /nfs/dbraw/zinc/96/77/35/660967735.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804055151 660967734 /nfs/dbraw/zinc/96/77/34/660967734.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804056598 660968102 /nfs/dbraw/zinc/96/81/02/660968102.db2.gz FEPZGTMVWYWHCJ-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804056598 660968099 /nfs/dbraw/zinc/96/80/99/660968099.db2.gz FEPZGTMVWYWHCJ-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804056599 660967887 /nfs/dbraw/zinc/96/78/87/660967887.db2.gz FEPZGTMVWYWHCJ-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804056599 660967886 /nfs/dbraw/zinc/96/78/86/660967886.db2.gz FEPZGTMVWYWHCJ-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804056601 660968176 /nfs/dbraw/zinc/96/81/76/660968176.db2.gz FEPZGTMVWYWHCJ-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804056601 660968175 /nfs/dbraw/zinc/96/81/75/660968175.db2.gz FEPZGTMVWYWHCJ-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804056603 660967892 /nfs/dbraw/zinc/96/78/92/660967892.db2.gz FEPZGTMVWYWHCJ-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804056603 660967891 /nfs/dbraw/zinc/96/78/91/660967891.db2.gz FEPZGTMVWYWHCJ-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968047 /nfs/dbraw/zinc/96/80/47/660968047.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968046 /nfs/dbraw/zinc/96/80/46/660968046.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968044 /nfs/dbraw/zinc/96/80/44/660968044.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968161 /nfs/dbraw/zinc/96/81/61/660968161.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968160 /nfs/dbraw/zinc/96/81/60/660968160.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968159 /nfs/dbraw/zinc/96/81/59/660968159.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967971 /nfs/dbraw/zinc/96/79/71/660967971.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967968 /nfs/dbraw/zinc/96/79/68/660967968.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967967 /nfs/dbraw/zinc/96/79/67/660967967.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968084 /nfs/dbraw/zinc/96/80/84/660968084.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968083 /nfs/dbraw/zinc/96/80/83/660968083.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968081 /nfs/dbraw/zinc/96/80/81/660968081.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056737 660968120 /nfs/dbraw/zinc/96/81/20/660968120.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056737 660968119 /nfs/dbraw/zinc/96/81/19/660968119.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804056737 660968117 /nfs/dbraw/zinc/96/81/17/660968117.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056738 660967986 /nfs/dbraw/zinc/96/79/86/660967986.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056738 660967985 /nfs/dbraw/zinc/96/79/85/660967985.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804056738 660967982 /nfs/dbraw/zinc/96/79/82/660967982.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056739 660968132 /nfs/dbraw/zinc/96/81/32/660968132.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056739 660968130 /nfs/dbraw/zinc/96/81/30/660968130.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804056739 660968129 /nfs/dbraw/zinc/96/81/29/660968129.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056740 660968110 /nfs/dbraw/zinc/96/81/10/660968110.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056740 660968108 /nfs/dbraw/zinc/96/81/08/660968108.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804056740 660968107 /nfs/dbraw/zinc/96/81/07/660968107.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056823 660967916 /nfs/dbraw/zinc/96/79/16/660967916.db2.gz FWJXEPZOKIKTID-KBPBESRZSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056823 660967914 /nfs/dbraw/zinc/96/79/14/660967914.db2.gz FWJXEPZOKIKTID-KBPBESRZSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056828 660968185 /nfs/dbraw/zinc/96/81/85/660968185.db2.gz FWJXEPZOKIKTID-KGLIPLIRSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056828 660968184 /nfs/dbraw/zinc/96/81/84/660968184.db2.gz FWJXEPZOKIKTID-KGLIPLIRSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056830 660967945 /nfs/dbraw/zinc/96/79/45/660967945.db2.gz FWJXEPZOKIKTID-UONOGXRCSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056830 660967942 /nfs/dbraw/zinc/96/79/42/660967942.db2.gz FWJXEPZOKIKTID-UONOGXRCSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056832 660968072 /nfs/dbraw/zinc/96/80/72/660968072.db2.gz FWJXEPZOKIKTID-ZIAGYGMSSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056832 660968070 /nfs/dbraw/zinc/96/80/70/660968070.db2.gz FWJXEPZOKIKTID-ZIAGYGMSSA-N 2 1 356.492 -0.869 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057156 660968204 /nfs/dbraw/zinc/96/82/04/660968204.db2.gz NTXIUVSWJOSEHW-CVEARBPZSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057156 660968201 /nfs/dbraw/zinc/96/82/01/660968201.db2.gz NTXIUVSWJOSEHW-CVEARBPZSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057158 660968021 /nfs/dbraw/zinc/96/80/21/660968021.db2.gz NTXIUVSWJOSEHW-HOTGVXAUSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057158 660968020 /nfs/dbraw/zinc/96/80/20/660968020.db2.gz NTXIUVSWJOSEHW-HOTGVXAUSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057160 660968038 /nfs/dbraw/zinc/96/80/38/660968038.db2.gz NTXIUVSWJOSEHW-HZPDHXFCSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057160 660968035 /nfs/dbraw/zinc/96/80/35/660968035.db2.gz NTXIUVSWJOSEHW-HZPDHXFCSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057162 660968009 /nfs/dbraw/zinc/96/80/09/660968009.db2.gz NTXIUVSWJOSEHW-JKSUJKDBSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000804057162 660968007 /nfs/dbraw/zinc/96/80/07/660968007.db2.gz NTXIUVSWJOSEHW-JKSUJKDBSA-N 2 1 350.463 -0.480 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804057892 660968580 /nfs/dbraw/zinc/96/85/80/660968580.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804057892 660968578 /nfs/dbraw/zinc/96/85/78/660968578.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057892 660968575 /nfs/dbraw/zinc/96/85/75/660968575.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804057894 660968389 /nfs/dbraw/zinc/96/83/89/660968389.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804057894 660968387 /nfs/dbraw/zinc/96/83/87/660968387.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057894 660968386 /nfs/dbraw/zinc/96/83/86/660968386.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804057895 660968657 /nfs/dbraw/zinc/96/86/57/660968657.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804057895 660968654 /nfs/dbraw/zinc/96/86/54/660968654.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057895 660968653 /nfs/dbraw/zinc/96/86/53/660968653.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804057897 660968329 /nfs/dbraw/zinc/96/83/29/660968329.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804057897 660968328 /nfs/dbraw/zinc/96/83/28/660968328.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057897 660968327 /nfs/dbraw/zinc/96/83/27/660968327.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058043 660968352 /nfs/dbraw/zinc/96/83/52/660968352.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804058043 660968351 /nfs/dbraw/zinc/96/83/51/660968351.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000804058043 660968350 /nfs/dbraw/zinc/96/83/50/660968350.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058044 660968345 /nfs/dbraw/zinc/96/83/45/660968345.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804058044 660968344 /nfs/dbraw/zinc/96/83/44/660968344.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000804058044 660968342 /nfs/dbraw/zinc/96/83/42/660968342.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058045 660968537 /nfs/dbraw/zinc/96/85/37/660968537.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804058045 660968534 /nfs/dbraw/zinc/96/85/34/660968534.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000804058045 660968532 /nfs/dbraw/zinc/96/85/32/660968532.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058046 660968643 /nfs/dbraw/zinc/96/86/43/660968643.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804058046 660968640 /nfs/dbraw/zinc/96/86/40/660968640.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000804058046 660968639 /nfs/dbraw/zinc/96/86/39/660968639.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 2 1 350.463 -0.434 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000804058100 660968483 /nfs/dbraw/zinc/96/84/83/660968483.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000804058100 660968481 /nfs/dbraw/zinc/96/84/81/660968481.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000804058100 660968478 /nfs/dbraw/zinc/96/84/78/660968478.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000804058103 660968614 /nfs/dbraw/zinc/96/86/14/660968614.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000804058103 660968611 /nfs/dbraw/zinc/96/86/11/660968611.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000804058103 660968609 /nfs/dbraw/zinc/96/86/09/660968609.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000804058105 660968414 /nfs/dbraw/zinc/96/84/14/660968414.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000804058105 660968411 /nfs/dbraw/zinc/96/84/11/660968411.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000804058105 660968409 /nfs/dbraw/zinc/96/84/09/660968409.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000804058107 660968504 /nfs/dbraw/zinc/96/85/04/660968504.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000804058107 660968501 /nfs/dbraw/zinc/96/85/01/660968501.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000804058107 660968499 /nfs/dbraw/zinc/96/84/99/660968499.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 2 1 350.463 -0.293 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059023 660968398 /nfs/dbraw/zinc/96/83/98/660968398.db2.gz XOZJRJUCCOTZOW-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059025 660968622 /nfs/dbraw/zinc/96/86/22/660968622.db2.gz XOZJRJUCCOTZOW-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059027 660968357 /nfs/dbraw/zinc/96/83/57/660968357.db2.gz XOZJRJUCCOTZOW-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059029 660968403 /nfs/dbraw/zinc/96/84/03/660968403.db2.gz XOZJRJUCCOTZOW-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804059164 660969023 /nfs/dbraw/zinc/96/90/23/660969023.db2.gz HOHJAZYUSLSQLI-BZUAXINKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804059165 660968879 /nfs/dbraw/zinc/96/88/79/660968879.db2.gz HOHJAZYUSLSQLI-OAGGEKHMSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804059167 660968981 /nfs/dbraw/zinc/96/89/81/660968981.db2.gz HOHJAZYUSLSQLI-OWCLPIDISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804059169 660968991 /nfs/dbraw/zinc/96/89/91/660968991.db2.gz HOHJAZYUSLSQLI-PMPSAXMXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804059311 660968902 /nfs/dbraw/zinc/96/89/02/660968902.db2.gz ZKXHGSFAYJPURC-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804059312 660968844 /nfs/dbraw/zinc/96/88/44/660968844.db2.gz ZKXHGSFAYJPURC-JJXSEGSLSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804059313 660968914 /nfs/dbraw/zinc/96/89/14/660968914.db2.gz ZKXHGSFAYJPURC-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804059314 660968972 /nfs/dbraw/zinc/96/89/72/660968972.db2.gz ZKXHGSFAYJPURC-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059644 660969016 /nfs/dbraw/zinc/96/90/16/660969016.db2.gz MUTQGZAGVFSNDJ-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059645 660968888 /nfs/dbraw/zinc/96/88/88/660968888.db2.gz MUTQGZAGVFSNDJ-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059646 660968813 /nfs/dbraw/zinc/96/88/13/660968813.db2.gz MUTQGZAGVFSNDJ-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059647 660968941 /nfs/dbraw/zinc/96/89/41/660968941.db2.gz MUTQGZAGVFSNDJ-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059941 660969455 /nfs/dbraw/zinc/96/94/55/660969455.db2.gz OQOCZURLYHRYDO-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059941 660969453 /nfs/dbraw/zinc/96/94/53/660969453.db2.gz OQOCZURLYHRYDO-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059941 660969450 /nfs/dbraw/zinc/96/94/50/660969450.db2.gz OQOCZURLYHRYDO-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059944 660969298 /nfs/dbraw/zinc/96/92/98/660969298.db2.gz OQOCZURLYHRYDO-QXSJWSMHSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059944 660969296 /nfs/dbraw/zinc/96/92/96/660969296.db2.gz OQOCZURLYHRYDO-QXSJWSMHSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059944 660969294 /nfs/dbraw/zinc/96/92/94/660969294.db2.gz OQOCZURLYHRYDO-QXSJWSMHSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059946 660969359 /nfs/dbraw/zinc/96/93/59/660969359.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059946 660969357 /nfs/dbraw/zinc/96/93/57/660969357.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059946 660969354 /nfs/dbraw/zinc/96/93/54/660969354.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059949 660969234 /nfs/dbraw/zinc/96/92/34/660969234.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059949 660969231 /nfs/dbraw/zinc/96/92/31/660969231.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059949 660969229 /nfs/dbraw/zinc/96/92/29/660969229.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000804060191 660969213 /nfs/dbraw/zinc/96/92/13/660969213.db2.gz MYXFDFWLDBURAY-FPCVCCKLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000804060191 660969211 /nfs/dbraw/zinc/96/92/11/660969211.db2.gz MYXFDFWLDBURAY-FPCVCCKLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000804060191 660969208 /nfs/dbraw/zinc/96/92/08/660969208.db2.gz MYXFDFWLDBURAY-FPCVCCKLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000804060192 660969141 /nfs/dbraw/zinc/96/91/41/660969141.db2.gz MYXFDFWLDBURAY-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000804060192 660969139 /nfs/dbraw/zinc/96/91/39/660969139.db2.gz MYXFDFWLDBURAY-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000804060192 660969138 /nfs/dbraw/zinc/96/91/38/660969138.db2.gz MYXFDFWLDBURAY-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000804060194 660969373 /nfs/dbraw/zinc/96/93/73/660969373.db2.gz MYXFDFWLDBURAY-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000804060194 660969371 /nfs/dbraw/zinc/96/93/71/660969371.db2.gz MYXFDFWLDBURAY-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC000804060194 660969368 /nfs/dbraw/zinc/96/93/68/660969368.db2.gz MYXFDFWLDBURAY-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000804060196 660969323 /nfs/dbraw/zinc/96/93/23/660969323.db2.gz MYXFDFWLDBURAY-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000804060196 660969320 /nfs/dbraw/zinc/96/93/20/660969320.db2.gz MYXFDFWLDBURAY-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC000804060196 660969317 /nfs/dbraw/zinc/96/93/17/660969317.db2.gz MYXFDFWLDBURAY-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804060269 660969525 /nfs/dbraw/zinc/96/95/25/660969525.db2.gz NGLDBELYGWFZNU-BVUBDWEXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804060269 660969522 /nfs/dbraw/zinc/96/95/22/660969522.db2.gz NGLDBELYGWFZNU-BVUBDWEXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804060269 660969519 /nfs/dbraw/zinc/96/95/19/660969519.db2.gz NGLDBELYGWFZNU-BVUBDWEXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804060270 660969488 /nfs/dbraw/zinc/96/94/88/660969488.db2.gz NGLDBELYGWFZNU-MIGQKNRLSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804060270 660969485 /nfs/dbraw/zinc/96/94/85/660969485.db2.gz NGLDBELYGWFZNU-MIGQKNRLSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804060270 660969480 /nfs/dbraw/zinc/96/94/80/660969480.db2.gz NGLDBELYGWFZNU-MIGQKNRLSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804060271 660969345 /nfs/dbraw/zinc/96/93/45/660969345.db2.gz NGLDBELYGWFZNU-OEAJRASXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804060271 660969342 /nfs/dbraw/zinc/96/93/42/660969342.db2.gz NGLDBELYGWFZNU-OEAJRASXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804060271 660969340 /nfs/dbraw/zinc/96/93/40/660969340.db2.gz NGLDBELYGWFZNU-OEAJRASXSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804060272 660969197 /nfs/dbraw/zinc/96/91/97/660969197.db2.gz NGLDBELYGWFZNU-OJLVUWQFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804060272 660969195 /nfs/dbraw/zinc/96/91/95/660969195.db2.gz NGLDBELYGWFZNU-OJLVUWQFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804060272 660969193 /nfs/dbraw/zinc/96/91/93/660969193.db2.gz NGLDBELYGWFZNU-OJLVUWQFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000804060360 660969412 /nfs/dbraw/zinc/96/94/12/660969412.db2.gz OAFGIPNSSTYFPS-BPUTZDHNSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000804060360 660969411 /nfs/dbraw/zinc/96/94/11/660969411.db2.gz OAFGIPNSSTYFPS-BPUTZDHNSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060360 660969408 /nfs/dbraw/zinc/96/94/08/660969408.db2.gz OAFGIPNSSTYFPS-BPUTZDHNSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000804060364 660969541 /nfs/dbraw/zinc/96/95/41/660969541.db2.gz OAFGIPNSSTYFPS-CWRNSKLLSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000804060364 660969538 /nfs/dbraw/zinc/96/95/38/660969538.db2.gz OAFGIPNSSTYFPS-CWRNSKLLSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060364 660969536 /nfs/dbraw/zinc/96/95/36/660969536.db2.gz OAFGIPNSSTYFPS-CWRNSKLLSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000804060366 660969174 /nfs/dbraw/zinc/96/91/74/660969174.db2.gz OAFGIPNSSTYFPS-IMJJTQAJSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000804060366 660969171 /nfs/dbraw/zinc/96/91/71/660969171.db2.gz OAFGIPNSSTYFPS-IMJJTQAJSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060366 660969169 /nfs/dbraw/zinc/96/91/69/660969169.db2.gz OAFGIPNSSTYFPS-IMJJTQAJSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000804060367 660969387 /nfs/dbraw/zinc/96/93/87/660969387.db2.gz OAFGIPNSSTYFPS-NUEKZKHPSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000804060367 660969384 /nfs/dbraw/zinc/96/93/84/660969384.db2.gz OAFGIPNSSTYFPS-NUEKZKHPSA-N 2 1 350.463 -0.268 20 0 FBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060367 660969383 /nfs/dbraw/zinc/96/93/83/660969383.db2.gz OAFGIPNSSTYFPS-NUEKZKHPSA-N 2 1 350.463 -0.268 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061086 660969992 /nfs/dbraw/zinc/96/99/92/660969992.db2.gz WCKACUJDXURGAU-CVEARBPZSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061086 660969990 /nfs/dbraw/zinc/96/99/90/660969990.db2.gz WCKACUJDXURGAU-CVEARBPZSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061087 660969868 /nfs/dbraw/zinc/96/98/68/660969868.db2.gz WCKACUJDXURGAU-HOTGVXAUSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061087 660969867 /nfs/dbraw/zinc/96/98/67/660969867.db2.gz WCKACUJDXURGAU-HOTGVXAUSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061088 660969934 /nfs/dbraw/zinc/96/99/34/660969934.db2.gz WCKACUJDXURGAU-HZPDHXFCSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061088 660969932 /nfs/dbraw/zinc/96/99/32/660969932.db2.gz WCKACUJDXURGAU-HZPDHXFCSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061089 660969723 /nfs/dbraw/zinc/96/97/23/660969723.db2.gz WCKACUJDXURGAU-JKSUJKDBSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000804061089 660969722 /nfs/dbraw/zinc/96/97/22/660969722.db2.gz WCKACUJDXURGAU-JKSUJKDBSA-N 2 1 350.463 -0.338 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061094 660969878 /nfs/dbraw/zinc/96/98/78/660969878.db2.gz WDEKQANTHUIYIK-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061094 660969876 /nfs/dbraw/zinc/96/98/76/660969876.db2.gz WDEKQANTHUIYIK-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804061094 660969875 /nfs/dbraw/zinc/96/98/75/660969875.db2.gz WDEKQANTHUIYIK-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061095 660969950 /nfs/dbraw/zinc/96/99/50/660969950.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061095 660969948 /nfs/dbraw/zinc/96/99/48/660969948.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804061095 660969946 /nfs/dbraw/zinc/96/99/46/660969946.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969891 /nfs/dbraw/zinc/96/98/91/660969891.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969889 /nfs/dbraw/zinc/96/98/89/660969889.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969887 /nfs/dbraw/zinc/96/98/87/660969887.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969800 /nfs/dbraw/zinc/96/98/00/660969800.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969798 /nfs/dbraw/zinc/96/97/98/660969798.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969796 /nfs/dbraw/zinc/96/97/96/660969796.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061326 660969762 /nfs/dbraw/zinc/96/97/62/660969762.db2.gz XPWVRTUJMDMWSO-CABCVRRESA-N 2 1 356.467 -0.998 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061327 660969910 /nfs/dbraw/zinc/96/99/10/660969910.db2.gz XPWVRTUJMDMWSO-GJZGRUSLSA-N 2 1 356.467 -0.998 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061328 660969822 /nfs/dbraw/zinc/96/98/22/660969822.db2.gz XPWVRTUJMDMWSO-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061329 660970010 /nfs/dbraw/zinc/97/00/10/660970010.db2.gz XPWVRTUJMDMWSO-LSDHHAIUSA-N 2 1 356.467 -0.998 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061980 660969712 /nfs/dbraw/zinc/96/97/12/660969712.db2.gz BWQJJCOPESBXRQ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061981 660969940 /nfs/dbraw/zinc/96/99/40/660969940.db2.gz BWQJJCOPESBXRQ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061982 660970015 /nfs/dbraw/zinc/97/00/15/660970015.db2.gz BWQJJCOPESBXRQ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061983 660969806 /nfs/dbraw/zinc/96/98/06/660969806.db2.gz BWQJJCOPESBXRQ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804062220 660970331 /nfs/dbraw/zinc/97/03/31/660970331.db2.gz DIZHGEMODBALKR-CVEARBPZSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804062221 660970267 /nfs/dbraw/zinc/97/02/67/660970267.db2.gz DIZHGEMODBALKR-HOTGVXAUSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804062222 660970205 /nfs/dbraw/zinc/97/02/05/660970205.db2.gz DIZHGEMODBALKR-HZPDHXFCSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804062223 660970307 /nfs/dbraw/zinc/97/03/07/660970307.db2.gz DIZHGEMODBALKR-JKSUJKDBSA-N 2 1 352.479 -0.045 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804064991 660970347 /nfs/dbraw/zinc/97/03/47/660970347.db2.gz ZFEUDIMAYKVWLO-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804064992 660970311 /nfs/dbraw/zinc/97/03/11/660970311.db2.gz ZFEUDIMAYKVWLO-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804064994 660970211 /nfs/dbraw/zinc/97/02/11/660970211.db2.gz ZFEUDIMAYKVWLO-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804064997 660970255 /nfs/dbraw/zinc/97/02/55/660970255.db2.gz ZFEUDIMAYKVWLO-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP COC(=O)[C@@H](NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1)C(C)C ZINC000809997912 660999775 /nfs/dbraw/zinc/99/97/75/660999775.db2.gz IQVVBYMEAHAGQM-JSGCOSHPSA-N 2 1 358.439 -0.092 20 0 FBADMP COC(=O)[C@@H](NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1)C(C)C ZINC000809997912 660999774 /nfs/dbraw/zinc/99/97/74/660999774.db2.gz IQVVBYMEAHAGQM-JSGCOSHPSA-N 2 1 358.439 -0.092 20 0 FBADMP COC(=O)[C@@H](NC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1)C(C)C ZINC000809997913 660999800 /nfs/dbraw/zinc/99/98/00/660999800.db2.gz IQVVBYMEAHAGQM-OCCSQVGLSA-N 2 1 358.439 -0.092 20 0 FBADMP COC(=O)[C@@H](NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1)C(C)C ZINC000809997913 660999799 /nfs/dbraw/zinc/99/97/99/660999799.db2.gz IQVVBYMEAHAGQM-OCCSQVGLSA-N 2 1 358.439 -0.092 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395804 661001278 /nfs/dbraw/zinc/00/12/78/661001278.db2.gz NMLIRFYVDWQPNP-CYBMUJFWSA-N 2 1 351.455 -0.372 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395808 661001384 /nfs/dbraw/zinc/00/13/84/661001384.db2.gz NMLIRFYVDWQPNP-ZDUSSCGKSA-N 2 1 351.455 -0.372 20 0 FBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811490962 661008325 /nfs/dbraw/zinc/00/83/25/661008325.db2.gz WWGSIGORWNXIOL-HOTGVXAUSA-N 2 1 354.495 -0.034 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000817815692 661045845 /nfs/dbraw/zinc/04/58/45/661045845.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000817815692 661045843 /nfs/dbraw/zinc/04/58/43/661045843.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000817815692 661045840 /nfs/dbraw/zinc/04/58/40/661045840.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000817815696 661045820 /nfs/dbraw/zinc/04/58/20/661045820.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000817815696 661045818 /nfs/dbraw/zinc/04/58/18/661045818.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000817815696 661045816 /nfs/dbraw/zinc/04/58/16/661045816.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000817815699 661045978 /nfs/dbraw/zinc/04/59/78/661045978.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000817815699 661045973 /nfs/dbraw/zinc/04/59/73/661045973.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000817815699 661045969 /nfs/dbraw/zinc/04/59/69/661045969.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000817815702 661045805 /nfs/dbraw/zinc/04/58/05/661045805.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000817815702 661045803 /nfs/dbraw/zinc/04/58/03/661045803.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 2 1 352.479 -0.093 20 0 FBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000817815702 661045801 /nfs/dbraw/zinc/04/58/01/661045801.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@H+]1C[C@H](C)O ZINC000817961251 661048755 /nfs/dbraw/zinc/04/87/55/661048755.db2.gz VRJDBVOEDTYVOU-DAYGRLMNSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@@H+]1C[C@H](C)O ZINC000817961251 661048754 /nfs/dbraw/zinc/04/87/54/661048754.db2.gz VRJDBVOEDTYVOU-DAYGRLMNSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@H+]1C[C@H](C)O ZINC000817961254 661048827 /nfs/dbraw/zinc/04/88/27/661048827.db2.gz VRJDBVOEDTYVOU-HDMKZQKVSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@@H+]1C[C@H](C)O ZINC000817961254 661048825 /nfs/dbraw/zinc/04/88/25/661048825.db2.gz VRJDBVOEDTYVOU-HDMKZQKVSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@H+]1C[C@@H](C)O ZINC000817961257 661048928 /nfs/dbraw/zinc/04/89/28/661048928.db2.gz VRJDBVOEDTYVOU-IIDMSEBBSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000817961257 661048925 /nfs/dbraw/zinc/04/89/25/661048925.db2.gz VRJDBVOEDTYVOU-IIDMSEBBSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@H+]1C[C@@H](C)O ZINC000817961258 661048706 /nfs/dbraw/zinc/04/87/06/661048706.db2.gz VRJDBVOEDTYVOU-RKVPGOIHSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000817961258 661048698 /nfs/dbraw/zinc/04/86/98/661048698.db2.gz VRJDBVOEDTYVOU-RKVPGOIHSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@H+]1CC(C)(C)O ZINC000817979876 661049106 /nfs/dbraw/zinc/04/91/06/661049106.db2.gz PWYSWEYWYXHTNH-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@@H+]1CC(C)(C)O ZINC000817979876 661049102 /nfs/dbraw/zinc/04/91/02/661049102.db2.gz PWYSWEYWYXHTNH-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@H+]1CC(C)(C)O ZINC000817979878 661049148 /nfs/dbraw/zinc/04/91/48/661049148.db2.gz PWYSWEYWYXHTNH-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@@H+]1CC(C)(C)O ZINC000817979878 661049145 /nfs/dbraw/zinc/04/91/45/661049145.db2.gz PWYSWEYWYXHTNH-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@H+]1CC(C)(C)O ZINC000817979879 661049330 /nfs/dbraw/zinc/04/93/30/661049330.db2.gz PWYSWEYWYXHTNH-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[N@@H+]1CC(C)(C)O ZINC000817979879 661049328 /nfs/dbraw/zinc/04/93/28/661049328.db2.gz PWYSWEYWYXHTNH-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@H+]1CC(C)(C)O ZINC000817979881 661049112 /nfs/dbraw/zinc/04/91/12/661049112.db2.gz PWYSWEYWYXHTNH-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[N@@H+]1CC(C)(C)O ZINC000817979881 661049110 /nfs/dbraw/zinc/04/91/10/661049110.db2.gz PWYSWEYWYXHTNH-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986628 661049270 /nfs/dbraw/zinc/04/92/70/661049270.db2.gz SHBMGFTZTOHJBU-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986628 661049266 /nfs/dbraw/zinc/04/92/66/661049266.db2.gz SHBMGFTZTOHJBU-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817986632 661049224 /nfs/dbraw/zinc/04/92/24/661049224.db2.gz SHBMGFTZTOHJBU-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817986632 661049216 /nfs/dbraw/zinc/04/92/16/661049216.db2.gz SHBMGFTZTOHJBU-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817986635 661049245 /nfs/dbraw/zinc/04/92/45/661049245.db2.gz SHBMGFTZTOHJBU-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817986635 661049242 /nfs/dbraw/zinc/04/92/42/661049242.db2.gz SHBMGFTZTOHJBU-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986638 661049649 /nfs/dbraw/zinc/04/96/49/661049649.db2.gz SHBMGFTZTOHJBU-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986638 661049644 /nfs/dbraw/zinc/04/96/44/661049644.db2.gz SHBMGFTZTOHJBU-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@H+]1CCO ZINC000817991564 661049884 /nfs/dbraw/zinc/04/98/84/661049884.db2.gz AEWYZOUCFFUKSA-UHFFFAOYSA-N 2 1 352.479 -0.496 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@@H+]1CCO ZINC000817991564 661049878 /nfs/dbraw/zinc/04/98/78/661049878.db2.gz AEWYZOUCFFUKSA-UHFFFAOYSA-N 2 1 352.479 -0.496 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000818680523 661061583 /nfs/dbraw/zinc/06/15/83/661061583.db2.gz OTUKLDRLFGSZHW-GOSISDBHSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000818680526 661061639 /nfs/dbraw/zinc/06/16/39/661061639.db2.gz OTUKLDRLFGSZHW-SFHVURJKSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819060872 661065879 /nfs/dbraw/zinc/06/58/79/661065879.db2.gz IWMDDUQIODFFJB-INIZCTEOSA-N 2 1 369.487 -0.123 20 0 FBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819060875 661065817 /nfs/dbraw/zinc/06/58/17/661065817.db2.gz IWMDDUQIODFFJB-MRXNPFEDSA-N 2 1 369.487 -0.123 20 0 FBADMP CN(C[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000819062981 661066000 /nfs/dbraw/zinc/06/60/00/661066000.db2.gz VFEANJWVCAWWNJ-AWEZNQCLSA-N 2 1 358.483 -0.032 20 0 FBADMP CN(C[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000819062982 661066058 /nfs/dbraw/zinc/06/60/58/661066058.db2.gz VFEANJWVCAWWNJ-CQSZACIVSA-N 2 1 358.483 -0.032 20 0 FBADMP C[NH+](C)C1CC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000819681095 661069236 /nfs/dbraw/zinc/06/92/36/661069236.db2.gz SPMMIKOZGRLHAE-GPANFISMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)C1CC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000819681096 661069455 /nfs/dbraw/zinc/06/94/55/661069455.db2.gz SPMMIKOZGRLHAE-UYSNPLJNSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819824242 661070469 /nfs/dbraw/zinc/07/04/69/661070469.db2.gz JFLBJMVMDQMPFW-AWEZNQCLSA-N 2 1 358.483 -0.032 20 0 FBADMP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819824247 661070674 /nfs/dbraw/zinc/07/06/74/661070674.db2.gz JFLBJMVMDQMPFW-CQSZACIVSA-N 2 1 358.483 -0.032 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1=O ZINC000820848311 661079177 /nfs/dbraw/zinc/07/91/77/661079177.db2.gz QQGVMBIMBCOHSV-HNNXBMFYSA-N 2 1 356.467 -0.996 20 0 FBADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1=O ZINC000820848311 661079174 /nfs/dbraw/zinc/07/91/74/661079174.db2.gz QQGVMBIMBCOHSV-HNNXBMFYSA-N 2 1 356.467 -0.996 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC1=O ZINC000820848312 661079296 /nfs/dbraw/zinc/07/92/96/661079296.db2.gz QQGVMBIMBCOHSV-OAHLLOKOSA-N 2 1 356.467 -0.996 20 0 FBADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC1=O ZINC000820848312 661079292 /nfs/dbraw/zinc/07/92/92/661079292.db2.gz QQGVMBIMBCOHSV-OAHLLOKOSA-N 2 1 356.467 -0.996 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821584743 607217127 /nfs/dbraw/zinc/21/71/27/607217127.db2.gz QRVOKSGYJNUPQG-UHFFFAOYSA-N 2 1 364.458 -0.810 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000821775003 661086196 /nfs/dbraw/zinc/08/61/96/661086196.db2.gz LRSGPFMXQJQPTA-KBPBESRZSA-N 2 1 352.435 -0.160 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](CN3CCOC3=O)C2)C1=O ZINC000821775006 661086053 /nfs/dbraw/zinc/08/60/53/661086053.db2.gz LRSGPFMXQJQPTA-KGLIPLIRSA-N 2 1 352.435 -0.160 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000821775007 661086154 /nfs/dbraw/zinc/08/61/54/661086154.db2.gz LRSGPFMXQJQPTA-UONOGXRCSA-N 2 1 352.435 -0.160 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](CN3CCOC3=O)C2)C1=O ZINC000821775009 661086189 /nfs/dbraw/zinc/08/61/89/661086189.db2.gz LRSGPFMXQJQPTA-ZIAGYGMSSA-N 2 1 352.435 -0.160 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000825925147 661106838 /nfs/dbraw/zinc/10/68/38/661106838.db2.gz KOUXZPNATSJEHT-ILXRZTDVSA-N 2 1 353.467 -0.389 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000825925148 661107072 /nfs/dbraw/zinc/10/70/72/661107072.db2.gz KOUXZPNATSJEHT-KFWWJZLASA-N 2 1 353.467 -0.389 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000825925149 661106952 /nfs/dbraw/zinc/10/69/52/661106952.db2.gz KOUXZPNATSJEHT-QLFBSQMISA-N 2 1 353.467 -0.389 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000825925150 661107009 /nfs/dbraw/zinc/10/70/09/661107009.db2.gz KOUXZPNATSJEHT-RBSFLKMASA-N 2 1 353.467 -0.389 20 0 FBADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1-c1nn[nH]n1 ZINC000826077197 608114148 /nfs/dbraw/zinc/11/41/48/608114148.db2.gz DEOWIUUYCRVJPD-GFCCVEGCSA-N 2 1 374.453 -0.930 20 0 FBADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1-c1nn[nH]n1 ZINC000826077198 608114046 /nfs/dbraw/zinc/11/40/46/608114046.db2.gz DEOWIUUYCRVJPD-LBPRGKRZSA-N 2 1 374.453 -0.930 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000827705997 661121591 /nfs/dbraw/zinc/12/15/91/661121591.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000827705997 661121589 /nfs/dbraw/zinc/12/15/89/661121589.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827705997 661121587 /nfs/dbraw/zinc/12/15/87/661121587.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000827705998 661121654 /nfs/dbraw/zinc/12/16/54/661121654.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000827705998 661121653 /nfs/dbraw/zinc/12/16/53/661121653.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827705998 661121651 /nfs/dbraw/zinc/12/16/51/661121651.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000827705999 661121419 /nfs/dbraw/zinc/12/14/19/661121419.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000827705999 661121418 /nfs/dbraw/zinc/12/14/18/661121418.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827705999 661121416 /nfs/dbraw/zinc/12/14/16/661121416.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000827706000 661121577 /nfs/dbraw/zinc/12/15/77/661121577.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000827706000 661121574 /nfs/dbraw/zinc/12/15/74/661121574.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827706000 661121570 /nfs/dbraw/zinc/12/15/70/661121570.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706369 661121489 /nfs/dbraw/zinc/12/14/89/661121489.db2.gz LRFXNSOOEJJTBX-ILXRZTDVSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706369 661121486 /nfs/dbraw/zinc/12/14/86/661121486.db2.gz LRFXNSOOEJJTBX-ILXRZTDVSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000827706369 661121482 /nfs/dbraw/zinc/12/14/82/661121482.db2.gz LRFXNSOOEJJTBX-ILXRZTDVSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706371 661121660 /nfs/dbraw/zinc/12/16/60/661121660.db2.gz LRFXNSOOEJJTBX-KFWWJZLASA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706371 661121659 /nfs/dbraw/zinc/12/16/59/661121659.db2.gz LRFXNSOOEJJTBX-KFWWJZLASA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000827706371 661121658 /nfs/dbraw/zinc/12/16/58/661121658.db2.gz LRFXNSOOEJJTBX-KFWWJZLASA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706372 661121704 /nfs/dbraw/zinc/12/17/04/661121704.db2.gz LRFXNSOOEJJTBX-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706372 661121702 /nfs/dbraw/zinc/12/17/02/661121702.db2.gz LRFXNSOOEJJTBX-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000827706372 661121701 /nfs/dbraw/zinc/12/17/01/661121701.db2.gz LRFXNSOOEJJTBX-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706373 661121603 /nfs/dbraw/zinc/12/16/03/661121603.db2.gz LRFXNSOOEJJTBX-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706373 661121602 /nfs/dbraw/zinc/12/16/02/661121602.db2.gz LRFXNSOOEJJTBX-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000827706373 661121601 /nfs/dbraw/zinc/12/16/01/661121601.db2.gz LRFXNSOOEJJTBX-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707443 661121442 /nfs/dbraw/zinc/12/14/42/661121442.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707443 661121440 /nfs/dbraw/zinc/12/14/40/661121440.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000827707443 661121437 /nfs/dbraw/zinc/12/14/37/661121437.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707445 661121678 /nfs/dbraw/zinc/12/16/78/661121678.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707445 661121677 /nfs/dbraw/zinc/12/16/77/661121677.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000827707445 661121676 /nfs/dbraw/zinc/12/16/76/661121676.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707447 661121540 /nfs/dbraw/zinc/12/15/40/661121540.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707447 661121537 /nfs/dbraw/zinc/12/15/37/661121537.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000827707447 661121534 /nfs/dbraw/zinc/12/15/34/661121534.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707449 661121460 /nfs/dbraw/zinc/12/14/60/661121460.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](CC)C1 ZINC000827707449 661121457 /nfs/dbraw/zinc/12/14/57/661121457.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000827707449 661121455 /nfs/dbraw/zinc/12/14/55/661121455.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(O)(C(=O)OC)C3)CC2)CC1 ZINC000829970095 661136904 /nfs/dbraw/zinc/13/69/04/661136904.db2.gz RPPJFHGNXOBLRY-UHFFFAOYSA-N 2 1 353.463 -0.071 20 0 FBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461788 661140705 /nfs/dbraw/zinc/14/07/05/661140705.db2.gz GYQVEWRMJMUKFR-AWEZNQCLSA-N 2 1 358.483 -0.032 20 0 FBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461788 661140704 /nfs/dbraw/zinc/14/07/04/661140704.db2.gz GYQVEWRMJMUKFR-AWEZNQCLSA-N 2 1 358.483 -0.032 20 0 FBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461791 661140678 /nfs/dbraw/zinc/14/06/78/661140678.db2.gz GYQVEWRMJMUKFR-CQSZACIVSA-N 2 1 358.483 -0.032 20 0 FBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461791 661140675 /nfs/dbraw/zinc/14/06/75/661140675.db2.gz GYQVEWRMJMUKFR-CQSZACIVSA-N 2 1 358.483 -0.032 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C)C1 ZINC000834691930 661164178 /nfs/dbraw/zinc/16/41/78/661164178.db2.gz WPTJANRDPVRPDN-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C)C1 ZINC000834691930 661164174 /nfs/dbraw/zinc/16/41/74/661164174.db2.gz WPTJANRDPVRPDN-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C)C1 ZINC000834691930 661164172 /nfs/dbraw/zinc/16/41/72/661164172.db2.gz WPTJANRDPVRPDN-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH+](C)C1 ZINC000834691931 661164335 /nfs/dbraw/zinc/16/43/35/661164335.db2.gz WPTJANRDPVRPDN-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH+](C)C1 ZINC000834691931 661164333 /nfs/dbraw/zinc/16/43/33/661164333.db2.gz WPTJANRDPVRPDN-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CC[N@@H+](C)C1 ZINC000834691931 661164329 /nfs/dbraw/zinc/16/43/29/661164329.db2.gz WPTJANRDPVRPDN-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C)C1 ZINC000834691932 661164282 /nfs/dbraw/zinc/16/42/82/661164282.db2.gz WPTJANRDPVRPDN-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C)C1 ZINC000834691932 661164280 /nfs/dbraw/zinc/16/42/80/661164280.db2.gz WPTJANRDPVRPDN-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C)C1 ZINC000834691932 661164278 /nfs/dbraw/zinc/16/42/78/661164278.db2.gz WPTJANRDPVRPDN-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](C)C1 ZINC000834691933 661164516 /nfs/dbraw/zinc/16/45/16/661164516.db2.gz WPTJANRDPVRPDN-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](C)C1 ZINC000834691933 661164513 /nfs/dbraw/zinc/16/45/13/661164513.db2.gz WPTJANRDPVRPDN-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@@H+](C)C1 ZINC000834691933 661164510 /nfs/dbraw/zinc/16/45/10/661164510.db2.gz WPTJANRDPVRPDN-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@@H]1C ZINC000834791134 661165502 /nfs/dbraw/zinc/16/55/02/661165502.db2.gz BGOIWUXCFLFQHJ-GASCZTMLSA-N 2 1 358.483 -0.752 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@@H]1C ZINC000834791134 661165500 /nfs/dbraw/zinc/16/55/00/661165500.db2.gz BGOIWUXCFLFQHJ-GASCZTMLSA-N 2 1 358.483 -0.752 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](C)C1 ZINC000840288765 661016106 /nfs/dbraw/zinc/01/61/06/661016106.db2.gz GATDMGAQFWBECK-ILXRZTDVSA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](C)C1 ZINC000840288765 661016102 /nfs/dbraw/zinc/01/61/02/661016102.db2.gz GATDMGAQFWBECK-ILXRZTDVSA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+](C)C1 ZINC000840288765 661016097 /nfs/dbraw/zinc/01/60/97/661016097.db2.gz GATDMGAQFWBECK-ILXRZTDVSA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](C)C1 ZINC000840288799 661015999 /nfs/dbraw/zinc/01/59/99/661015999.db2.gz GATDMGAQFWBECK-KFWWJZLASA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](C)C1 ZINC000840288799 661015994 /nfs/dbraw/zinc/01/59/94/661015994.db2.gz GATDMGAQFWBECK-KFWWJZLASA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+](C)C1 ZINC000840288799 661015992 /nfs/dbraw/zinc/01/59/92/661015992.db2.gz GATDMGAQFWBECK-KFWWJZLASA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](C)C1 ZINC000840288800 661016064 /nfs/dbraw/zinc/01/60/64/661016064.db2.gz GATDMGAQFWBECK-QLFBSQMISA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](C)C1 ZINC000840288800 661016061 /nfs/dbraw/zinc/01/60/61/661016061.db2.gz GATDMGAQFWBECK-QLFBSQMISA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+](C)C1 ZINC000840288800 661016058 /nfs/dbraw/zinc/01/60/58/661016058.db2.gz GATDMGAQFWBECK-QLFBSQMISA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](C)C1 ZINC000840288801 661015886 /nfs/dbraw/zinc/01/58/86/661015886.db2.gz GATDMGAQFWBECK-RBSFLKMASA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](C)C1 ZINC000840288801 661015884 /nfs/dbraw/zinc/01/58/84/661015884.db2.gz GATDMGAQFWBECK-RBSFLKMASA-N 2 1 354.451 -0.404 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+](C)C1 ZINC000840288801 661015881 /nfs/dbraw/zinc/01/58/81/661015881.db2.gz GATDMGAQFWBECK-RBSFLKMASA-N 2 1 354.451 -0.404 20 0 FBADMP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841724147 661183212 /nfs/dbraw/zinc/18/32/12/661183212.db2.gz CONHDTLYOQROSX-AWEZNQCLSA-N 2 1 373.523 -0.510 20 0 FBADMP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841724149 661183204 /nfs/dbraw/zinc/18/32/04/661183204.db2.gz CONHDTLYOQROSX-CQSZACIVSA-N 2 1 373.523 -0.510 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165145 661186063 /nfs/dbraw/zinc/18/60/63/661186063.db2.gz TZAWEDLCFKNMAV-JYJNAYRXSA-N 2 1 352.479 -0.010 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165146 661185992 /nfs/dbraw/zinc/18/59/92/661185992.db2.gz TZAWEDLCFKNMAV-OAGGEKHMSA-N 2 1 352.479 -0.010 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165147 661186133 /nfs/dbraw/zinc/18/61/33/661186133.db2.gz TZAWEDLCFKNMAV-PMPSAXMXSA-N 2 1 352.479 -0.010 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165148 661186071 /nfs/dbraw/zinc/18/60/71/661186071.db2.gz TZAWEDLCFKNMAV-XHSDSOJGSA-N 2 1 352.479 -0.010 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]21 ZINC000842165353 661186215 /nfs/dbraw/zinc/18/62/15/661186215.db2.gz VBMZHIOELMYVAW-DGADGQDISA-N 2 1 350.463 -0.448 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]21 ZINC000842165354 661186163 /nfs/dbraw/zinc/18/61/63/661186163.db2.gz VBMZHIOELMYVAW-DGXTUMSLSA-N 2 1 350.463 -0.448 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]21 ZINC000842165357 661186110 /nfs/dbraw/zinc/18/61/10/661186110.db2.gz VBMZHIOELMYVAW-OXGONZEZSA-N 2 1 350.463 -0.448 20 0 FBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]21 ZINC000842165359 661186222 /nfs/dbraw/zinc/18/62/22/661186222.db2.gz VBMZHIOELMYVAW-YIDVYQOGSA-N 2 1 350.463 -0.448 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842165425 661186202 /nfs/dbraw/zinc/18/62/02/661186202.db2.gz XKRLBHLGQIFPOP-IGQOVBAYSA-N 2 1 354.451 -0.805 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842165429 661186621 /nfs/dbraw/zinc/18/66/21/661186621.db2.gz XKRLBHLGQIFPOP-REWJHTLYSA-N 2 1 354.451 -0.805 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842165431 661186526 /nfs/dbraw/zinc/18/65/26/661186526.db2.gz XKRLBHLGQIFPOP-RFQIPJPRSA-N 2 1 354.451 -0.805 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842165432 661186444 /nfs/dbraw/zinc/18/64/44/661186444.db2.gz XKRLBHLGQIFPOP-XDQVBPFNSA-N 2 1 354.451 -0.805 20 0 FBADMP [NH3+]CCc1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000842228513 661187109 /nfs/dbraw/zinc/18/71/09/661187109.db2.gz ILZNYAXWCYZSCL-UHFFFAOYSA-N 2 1 350.488 -0.031 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000842260689 661187654 /nfs/dbraw/zinc/18/76/54/661187654.db2.gz WJFYDMOWFDLTTL-QWHCGFSZSA-N 2 1 353.492 -0.384 20 0 FBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000842260690 661187666 /nfs/dbraw/zinc/18/76/66/661187666.db2.gz WJFYDMOWFDLTTL-STQMWFEESA-N 2 1 353.492 -0.384 20 0 FBADMP CCCCCC[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842512362 661189681 /nfs/dbraw/zinc/18/96/81/661189681.db2.gz KCGPRBLWMUSMOR-UHFFFAOYSA-N 2 1 360.524 -0.056 20 0 FBADMP CCCCCC[N@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842512362 661189677 /nfs/dbraw/zinc/18/96/77/661189677.db2.gz KCGPRBLWMUSMOR-UHFFFAOYSA-N 2 1 360.524 -0.056 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843261216 661199847 /nfs/dbraw/zinc/19/98/47/661199847.db2.gz GLKNQBKELNUVCP-UHFFFAOYSA-N 2 1 355.483 -0.756 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000843261668 661200152 /nfs/dbraw/zinc/20/01/52/661200152.db2.gz JNNWINUJMSCAFO-INIZCTEOSA-N 2 1 353.511 -0.140 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000843261669 661200341 /nfs/dbraw/zinc/20/03/41/661200341.db2.gz JNNWINUJMSCAFO-MRXNPFEDSA-N 2 1 353.511 -0.140 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263512 661200098 /nfs/dbraw/zinc/20/00/98/661200098.db2.gz XODWBQGCOSVKHH-HNNXBMFYSA-N 2 1 353.511 -0.094 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263512 661200095 /nfs/dbraw/zinc/20/00/95/661200095.db2.gz XODWBQGCOSVKHH-HNNXBMFYSA-N 2 1 353.511 -0.094 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263513 661200265 /nfs/dbraw/zinc/20/02/65/661200265.db2.gz XODWBQGCOSVKHH-OAHLLOKOSA-N 2 1 353.511 -0.094 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263513 661200262 /nfs/dbraw/zinc/20/02/62/661200262.db2.gz XODWBQGCOSVKHH-OAHLLOKOSA-N 2 1 353.511 -0.094 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000843346693 661201250 /nfs/dbraw/zinc/20/12/50/661201250.db2.gz GYQWSNVXKXGDRK-GFCCVEGCSA-N 2 1 358.464 -0.183 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000843346693 661201247 /nfs/dbraw/zinc/20/12/47/661201247.db2.gz GYQWSNVXKXGDRK-GFCCVEGCSA-N 2 1 358.464 -0.183 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000843346694 661201279 /nfs/dbraw/zinc/20/12/79/661201279.db2.gz GYQWSNVXKXGDRK-LBPRGKRZSA-N 2 1 358.464 -0.183 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000843346694 661201275 /nfs/dbraw/zinc/20/12/75/661201275.db2.gz GYQWSNVXKXGDRK-LBPRGKRZSA-N 2 1 358.464 -0.183 20 0 FBADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843347104 661201166 /nfs/dbraw/zinc/20/11/66/661201166.db2.gz RGRKBLGKYYOYAM-HNNXBMFYSA-N 2 1 361.508 -0.419 20 0 FBADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843347110 661201187 /nfs/dbraw/zinc/20/11/87/661201187.db2.gz RGRKBLGKYYOYAM-OAHLLOKOSA-N 2 1 361.508 -0.419 20 0 FBADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000843349279 661201288 /nfs/dbraw/zinc/20/12/88/661201288.db2.gz QYGODCCDJOKEAR-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP CCOC(=O)N1CCC(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000843349279 661201285 /nfs/dbraw/zinc/20/12/85/661201285.db2.gz QYGODCCDJOKEAR-UHFFFAOYSA-N 2 1 355.483 -0.440 20 0 FBADMP COCCN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000843354016 661201269 /nfs/dbraw/zinc/20/12/69/661201269.db2.gz QYBFZARPOLKSGY-NRXISQOPSA-N 2 1 361.508 -0.150 20 0 FBADMP COCCN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000843354016 661201267 /nfs/dbraw/zinc/20/12/67/661201267.db2.gz QYBFZARPOLKSGY-NRXISQOPSA-N 2 1 361.508 -0.150 20 0 FBADMP COCCN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000843354017 661201123 /nfs/dbraw/zinc/20/11/23/661201123.db2.gz QYBFZARPOLKSGY-YMAMQOFZSA-N 2 1 361.508 -0.150 20 0 FBADMP COCCN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000843354017 661201122 /nfs/dbraw/zinc/20/11/22/661201122.db2.gz QYBFZARPOLKSGY-YMAMQOFZSA-N 2 1 361.508 -0.150 20 0 FBADMP CCN(CC)S(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000843357295 661201605 /nfs/dbraw/zinc/20/16/05/661201605.db2.gz FYPQYVOAWXVFBB-UHFFFAOYSA-N 2 1 361.512 -0.988 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000844021474 661209049 /nfs/dbraw/zinc/20/90/49/661209049.db2.gz UFGLYAGPFJHMPO-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000844021474 661209047 /nfs/dbraw/zinc/20/90/47/661209047.db2.gz UFGLYAGPFJHMPO-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000844021475 661208988 /nfs/dbraw/zinc/20/89/88/661208988.db2.gz UFGLYAGPFJHMPO-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1C ZINC000844021475 661208987 /nfs/dbraw/zinc/20/89/87/661208987.db2.gz UFGLYAGPFJHMPO-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000844199350 661212112 /nfs/dbraw/zinc/21/21/12/661212112.db2.gz BMZJRFLADFVXOV-UHFFFAOYSA-N 2 1 358.508 -0.302 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000844223176 661212279 /nfs/dbraw/zinc/21/22/79/661212279.db2.gz UNSFFMVCWSYCEQ-UHFFFAOYSA-N 2 1 351.495 -0.706 20 0 FBADMP C[NH+](C)CCN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1=O ZINC000844570224 661214944 /nfs/dbraw/zinc/21/49/44/661214944.db2.gz UDWFGOVAAFVGNV-UHFFFAOYSA-N 2 1 357.524 -0.711 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000844953076 661218641 /nfs/dbraw/zinc/21/86/41/661218641.db2.gz JGQGLVCLDJAEMO-CABCVRRESA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000844953077 661218876 /nfs/dbraw/zinc/21/88/76/661218876.db2.gz JGQGLVCLDJAEMO-GJZGRUSLSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000844953078 661218620 /nfs/dbraw/zinc/21/86/20/661218620.db2.gz JGQGLVCLDJAEMO-HUUCEWRRSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000844953079 661218693 /nfs/dbraw/zinc/21/86/93/661218693.db2.gz JGQGLVCLDJAEMO-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846736785 661244247 /nfs/dbraw/zinc/24/42/47/661244247.db2.gz LVXRVTCJLJPIEC-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846736788 661244265 /nfs/dbraw/zinc/24/42/65/661244265.db2.gz LVXRVTCJLJPIEC-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846736790 661244181 /nfs/dbraw/zinc/24/41/81/661244181.db2.gz LVXRVTCJLJPIEC-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846736792 661244224 /nfs/dbraw/zinc/24/42/24/661244224.db2.gz LVXRVTCJLJPIEC-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849051163 661270587 /nfs/dbraw/zinc/27/05/87/661270587.db2.gz YLTZRNLVFNLSJW-AWEZNQCLSA-N 2 1 361.512 -0.363 20 0 FBADMP CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849051164 661270611 /nfs/dbraw/zinc/27/06/11/661270611.db2.gz YLTZRNLVFNLSJW-CQSZACIVSA-N 2 1 361.512 -0.363 20 0 FBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1ccccc1 ZINC000849058778 661270473 /nfs/dbraw/zinc/27/04/73/661270473.db2.gz OOAPOMIKUWKSCB-UHFFFAOYSA-N 2 1 369.491 -0.199 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066582 661270491 /nfs/dbraw/zinc/27/04/91/661270491.db2.gz GEFZTVCCZSLZLA-AWEZNQCLSA-N 2 1 360.528 -0.838 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066583 661270801 /nfs/dbraw/zinc/27/08/01/661270801.db2.gz GEFZTVCCZSLZLA-CQSZACIVSA-N 2 1 360.528 -0.838 20 0 FBADMP NS(=O)(=O)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849066806 661270830 /nfs/dbraw/zinc/27/08/30/661270830.db2.gz RCLQFVAFEIIWGG-UHFFFAOYSA-N 2 1 369.491 -0.189 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849072904 661270725 /nfs/dbraw/zinc/27/07/25/661270725.db2.gz PWMBOMCQCZZYES-HNNXBMFYSA-N 3 1 354.499 -0.590 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849072904 661270722 /nfs/dbraw/zinc/27/07/22/661270722.db2.gz PWMBOMCQCZZYES-HNNXBMFYSA-N 3 1 354.499 -0.590 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849072904 661270718 /nfs/dbraw/zinc/27/07/18/661270718.db2.gz PWMBOMCQCZZYES-HNNXBMFYSA-N 2 1 354.499 -0.590 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849072905 661270793 /nfs/dbraw/zinc/27/07/93/661270793.db2.gz PWMBOMCQCZZYES-OAHLLOKOSA-N 3 1 354.499 -0.590 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849072905 661270792 /nfs/dbraw/zinc/27/07/92/661270792.db2.gz PWMBOMCQCZZYES-OAHLLOKOSA-N 3 1 354.499 -0.590 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849072905 661270791 /nfs/dbraw/zinc/27/07/91/661270791.db2.gz PWMBOMCQCZZYES-OAHLLOKOSA-N 2 1 354.499 -0.590 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085664 661270785 /nfs/dbraw/zinc/27/07/85/661270785.db2.gz UYOKSDMXUYWGFM-CXAGYDPISA-N 2 1 353.467 -0.067 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085665 661270710 /nfs/dbraw/zinc/27/07/10/661270710.db2.gz UYOKSDMXUYWGFM-DYVFJYSZSA-N 2 1 353.467 -0.067 20 0 FBADMP C[N@H+]1CC[C@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085666 661270770 /nfs/dbraw/zinc/27/07/70/661270770.db2.gz UYOKSDMXUYWGFM-GUYCJALGSA-N 2 1 353.467 -0.067 20 0 FBADMP C[N@H+]1CC[C@@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085667 661270820 /nfs/dbraw/zinc/27/08/20/661270820.db2.gz UYOKSDMXUYWGFM-SUMWQHHRSA-N 2 1 353.467 -0.067 20 0 FBADMP CS(=O)(=O)c1cccnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849109426 661270757 /nfs/dbraw/zinc/27/07/57/661270757.db2.gz PRQOUTUHIOXLCQ-UHFFFAOYSA-N 2 1 355.464 -0.179 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111225 661270695 /nfs/dbraw/zinc/27/06/95/661270695.db2.gz WNQMLCIXBQPTOH-UHFFFAOYSA-N 2 1 356.471 -0.211 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)NCCNS(C)(=O)=O ZINC000849277098 661271871 /nfs/dbraw/zinc/27/18/71/661271871.db2.gz UHAQJVWJOOMMMR-LBPRGKRZSA-N 2 1 353.558 -0.728 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)NCCNS(C)(=O)=O ZINC000849277098 661271869 /nfs/dbraw/zinc/27/18/69/661271869.db2.gz UHAQJVWJOOMMMR-LBPRGKRZSA-N 2 1 353.558 -0.728 20 0 FBADMP O=S(=O)(C1CN(Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000849349989 661272168 /nfs/dbraw/zinc/27/21/68/661272168.db2.gz HZYCLMAZJVIUSD-UHFFFAOYSA-N 2 1 350.488 -0.249 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000852744121 661308462 /nfs/dbraw/zinc/30/84/62/661308462.db2.gz SNVBNUDZENJGHZ-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000852744121 661308458 /nfs/dbraw/zinc/30/84/58/661308458.db2.gz SNVBNUDZENJGHZ-HNNXBMFYSA-N 2 1 355.483 -0.487 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000852744122 661308408 /nfs/dbraw/zinc/30/84/08/661308408.db2.gz SNVBNUDZENJGHZ-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000852744122 661308404 /nfs/dbraw/zinc/30/84/04/661308404.db2.gz SNVBNUDZENJGHZ-OAHLLOKOSA-N 2 1 355.483 -0.487 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000852753186 661308606 /nfs/dbraw/zinc/30/86/06/661308606.db2.gz ASRCEZQSDKBWMI-RBSFLKMASA-N 2 1 356.467 -0.029 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000852753186 661308603 /nfs/dbraw/zinc/30/86/03/661308603.db2.gz ASRCEZQSDKBWMI-RBSFLKMASA-N 2 1 356.467 -0.029 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000852753187 661308667 /nfs/dbraw/zinc/30/86/67/661308667.db2.gz ASRCEZQSDKBWMI-RRFJBIMHSA-N 2 1 356.467 -0.029 20 0 FBADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000852753187 661308663 /nfs/dbraw/zinc/30/86/63/661308663.db2.gz ASRCEZQSDKBWMI-RRFJBIMHSA-N 2 1 356.467 -0.029 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3=NO[C@H](C[NH3+])C3)CC2)CC1 ZINC000852865949 661309361 /nfs/dbraw/zinc/30/93/61/661309361.db2.gz DTVXJUPOQQNLRZ-AWEZNQCLSA-N 2 1 351.451 -0.507 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000852865950 661309350 /nfs/dbraw/zinc/30/93/50/661309350.db2.gz DTVXJUPOQQNLRZ-CQSZACIVSA-N 2 1 351.451 -0.507 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(N3CCOC3=O)CC2)C1=O ZINC000853005516 661312499 /nfs/dbraw/zinc/31/24/99/661312499.db2.gz RHDWFPAWDZAKSL-AWEZNQCLSA-N 2 1 352.435 -0.018 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(N3CCOC3=O)CC2)C1=O ZINC000853005517 661312648 /nfs/dbraw/zinc/31/26/48/661312648.db2.gz RHDWFPAWDZAKSL-CQSZACIVSA-N 2 1 352.435 -0.018 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683635 661317388 /nfs/dbraw/zinc/31/73/88/661317388.db2.gz VKWOTYZFXMKMRY-CABCVRRESA-N 2 1 355.483 -0.489 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000853683636 661317779 /nfs/dbraw/zinc/31/77/79/661317779.db2.gz VKWOTYZFXMKMRY-GJZGRUSLSA-N 2 1 355.483 -0.489 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683637 661317647 /nfs/dbraw/zinc/31/76/47/661317647.db2.gz VKWOTYZFXMKMRY-HUUCEWRRSA-N 2 1 355.483 -0.489 20 0 FBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000853683638 661317729 /nfs/dbraw/zinc/31/77/29/661317729.db2.gz VKWOTYZFXMKMRY-LSDHHAIUSA-N 2 1 355.483 -0.489 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000853821733 661318456 /nfs/dbraw/zinc/31/84/56/661318456.db2.gz DZSVXEMWNWWAJL-ZDUSSCGKSA-N 2 1 364.437 -0.131 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000853821733 661318452 /nfs/dbraw/zinc/31/84/52/661318452.db2.gz DZSVXEMWNWWAJL-ZDUSSCGKSA-N 2 1 364.437 -0.131 20 0 FBADMP CC1=C(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)Cn2nnnc2N1C ZINC000855346711 661338300 /nfs/dbraw/zinc/33/83/00/661338300.db2.gz JRBCSGRSGZKLJM-LBPRGKRZSA-N 2 1 350.471 -0.215 20 0 FBADMP CC1=C(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)Cn2nnnc2N1C ZINC000855346711 661338297 /nfs/dbraw/zinc/33/82/97/661338297.db2.gz JRBCSGRSGZKLJM-LBPRGKRZSA-N 2 1 350.471 -0.215 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCN1C(=O)CCNC1=S ZINC000855346901 661338148 /nfs/dbraw/zinc/33/81/48/661338148.db2.gz NVVSKNRKQRVLMU-ZDUSSCGKSA-N 2 1 357.524 -0.129 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCN1C(=O)CCNC1=S ZINC000855346901 661338144 /nfs/dbraw/zinc/33/81/44/661338144.db2.gz NVVSKNRKQRVLMU-ZDUSSCGKSA-N 2 1 357.524 -0.129 20 0 FBADMP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000858812499 661369063 /nfs/dbraw/zinc/36/90/63/661369063.db2.gz PZJFSKFTSSMDTF-ZIAGYGMSSA-N 2 1 351.455 -0.863 20 0 FBADMP Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000858867578 661369719 /nfs/dbraw/zinc/36/97/19/661369719.db2.gz PZJFSKFTSSMDTF-KBPBESRZSA-N 2 1 351.455 -0.863 20 0 FBADMP C[Si](C)(CC[NH+]1CCO[C@H](C(N)=O)C1)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000859105847 661371918 /nfs/dbraw/zinc/37/19/18/661371918.db2.gz FDFRSEYPOYVHMT-KBPBESRZSA-N 2 1 372.542 -0.933 20 0 FBADMP C[Si](C)(CC[NH+]1CCO[C@@H](C(N)=O)C1)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000859105848 661371976 /nfs/dbraw/zinc/37/19/76/661371976.db2.gz FDFRSEYPOYVHMT-OKILXGFUSA-N 2 1 372.542 -0.933 20 0 FBADMP C[Si](C)(CC[NH+]1CCO[C@@H](C(N)=O)C1)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000859105848 661371974 /nfs/dbraw/zinc/37/19/74/661371974.db2.gz FDFRSEYPOYVHMT-OKILXGFUSA-N 2 1 372.542 -0.933 20 0 FBADMP C[Si](C)(CC[NH+]1CCO[C@H](C(N)=O)C1)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000859105848 661371971 /nfs/dbraw/zinc/37/19/71/661371971.db2.gz FDFRSEYPOYVHMT-OKILXGFUSA-N 2 1 372.542 -0.933 20 0 FBADMP C[Si](C)(CC[NH+]1CCO[C@@H](C(N)=O)C1)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000859105849 661371797 /nfs/dbraw/zinc/37/17/97/661371797.db2.gz FDFRSEYPOYVHMT-ZIAGYGMSSA-N 2 1 372.542 -0.933 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000860714138 661388060 /nfs/dbraw/zinc/38/80/60/661388060.db2.gz URZHLCNYFPGKMN-AWEZNQCLSA-N 2 1 351.455 -0.094 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000861756191 661398814 /nfs/dbraw/zinc/39/88/14/661398814.db2.gz UWLTZQWEDATFLL-DFEHZGFQSA-N 2 1 350.463 -0.576 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000861756192 661398777 /nfs/dbraw/zinc/39/87/77/661398777.db2.gz UWLTZQWEDATFLL-DTDBQYNISA-N 2 1 350.463 -0.576 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000861756193 661398745 /nfs/dbraw/zinc/39/87/45/661398745.db2.gz UWLTZQWEDATFLL-IHETXDGRSA-N 2 1 350.463 -0.576 20 0 FBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000861756194 661398737 /nfs/dbraw/zinc/39/87/37/661398737.db2.gz UWLTZQWEDATFLL-NONVJHHQSA-N 2 1 350.463 -0.576 20 0 FBADMP O=C(CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CCNCC1 ZINC000863549325 661423222 /nfs/dbraw/zinc/42/32/22/661423222.db2.gz IIZHJLIHFZLWRX-CABCVRRESA-N 2 1 351.451 -0.935 20 0 FBADMP COCCCNC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549388 661423194 /nfs/dbraw/zinc/42/31/94/661423194.db2.gz CHSWGDNXYHSLOO-CFVMTHIKSA-N 2 1 354.451 -0.215 20 0 FBADMP COCCCNC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549390 661423232 /nfs/dbraw/zinc/42/32/32/661423232.db2.gz CHSWGDNXYHSLOO-YUELXQCFSA-N 2 1 354.451 -0.215 20 0 FBADMP C[C@H]1CN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863549668 661423224 /nfs/dbraw/zinc/42/32/24/661423224.db2.gz IGBUNJGRSPTTQK-CFVMTHIKSA-N 2 1 352.435 -0.509 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863549672 661423251 /nfs/dbraw/zinc/42/32/51/661423251.db2.gz IGBUNJGRSPTTQK-YUELXQCFSA-N 2 1 352.435 -0.509 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550169 661423186 /nfs/dbraw/zinc/42/31/86/661423186.db2.gz OIEQQMPCIDZJEF-RTXFEEFZSA-N 2 1 353.423 -0.522 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550170 661423192 /nfs/dbraw/zinc/42/31/92/661423192.db2.gz OIEQQMPCIDZJEF-UHTWSYAYSA-N 2 1 353.423 -0.522 20 0 FBADMP C[N@@H+](CCOCC[NH3+])CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000863555352 661424092 /nfs/dbraw/zinc/42/40/92/661424092.db2.gz QRXGJGISWYFNJA-UHFFFAOYSA-N 2 1 355.439 -0.431 20 0 FBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000863752335 661426183 /nfs/dbraw/zinc/42/61/83/661426183.db2.gz CYADBNPGCWGJTI-GFCCVEGCSA-N 2 1 368.400 -0.095 20 0 FBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000863752337 661426051 /nfs/dbraw/zinc/42/60/51/661426051.db2.gz CYADBNPGCWGJTI-LBPRGKRZSA-N 2 1 368.400 -0.095 20 0 FBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000863754098 661426408 /nfs/dbraw/zinc/42/64/08/661426408.db2.gz NRYPTWSEKYANPD-HRCADAONSA-N 2 1 353.511 -0.191 20 0 FBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000863754100 661426479 /nfs/dbraw/zinc/42/64/79/661426479.db2.gz NRYPTWSEKYANPD-OAGGEKHMSA-N 2 1 353.511 -0.191 20 0 FBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000863765600 661426932 /nfs/dbraw/zinc/42/69/32/661426932.db2.gz DZBVJEJCTPUCRL-JZWPEALZSA-N 2 1 351.495 -0.439 20 0 FBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000863765603 661426880 /nfs/dbraw/zinc/42/68/80/661426880.db2.gz DZBVJEJCTPUCRL-LSVZVQIISA-N 2 1 351.495 -0.439 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865190365 661437386 /nfs/dbraw/zinc/43/73/86/661437386.db2.gz RZFVRIZQEMQVKG-KBPBESRZSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865190366 661437522 /nfs/dbraw/zinc/43/75/22/661437522.db2.gz RZFVRIZQEMQVKG-KGLIPLIRSA-N 2 1 358.483 -0.034 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865706220 661439977 /nfs/dbraw/zinc/43/99/77/661439977.db2.gz PQAFKJQNYUQKNB-KBPBESRZSA-N 2 1 357.499 -0.197 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865706221 661440084 /nfs/dbraw/zinc/44/00/84/661440084.db2.gz PQAFKJQNYUQKNB-KGLIPLIRSA-N 2 1 357.499 -0.197 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000866000768 661441766 /nfs/dbraw/zinc/44/17/66/661441766.db2.gz OLTUXAJOPRUUQP-CRWXNKLISA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000866000768 661441764 /nfs/dbraw/zinc/44/17/64/661441764.db2.gz OLTUXAJOPRUUQP-CRWXNKLISA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000866000768 661441763 /nfs/dbraw/zinc/44/17/63/661441763.db2.gz OLTUXAJOPRUUQP-CRWXNKLISA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000866000769 661441886 /nfs/dbraw/zinc/44/18/86/661441886.db2.gz OLTUXAJOPRUUQP-KPWCQOOUSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000866000769 661441884 /nfs/dbraw/zinc/44/18/84/661441884.db2.gz OLTUXAJOPRUUQP-KPWCQOOUSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000866000769 661441879 /nfs/dbraw/zinc/44/18/79/661441879.db2.gz OLTUXAJOPRUUQP-KPWCQOOUSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000866000770 661441911 /nfs/dbraw/zinc/44/19/11/661441911.db2.gz OLTUXAJOPRUUQP-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000866000770 661441906 /nfs/dbraw/zinc/44/19/06/661441906.db2.gz OLTUXAJOPRUUQP-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000866000770 661441903 /nfs/dbraw/zinc/44/19/03/661441903.db2.gz OLTUXAJOPRUUQP-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000866000771 661441746 /nfs/dbraw/zinc/44/17/46/661441746.db2.gz OLTUXAJOPRUUQP-XJFOESAGSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000866000771 661441745 /nfs/dbraw/zinc/44/17/45/661441745.db2.gz OLTUXAJOPRUUQP-XJFOESAGSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000866000771 661441744 /nfs/dbraw/zinc/44/17/44/661441744.db2.gz OLTUXAJOPRUUQP-XJFOESAGSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000866005343 661441855 /nfs/dbraw/zinc/44/18/55/661441855.db2.gz OINPFCDRGKFQJF-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000866005343 661441853 /nfs/dbraw/zinc/44/18/53/661441853.db2.gz OINPFCDRGKFQJF-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000866005343 661441848 /nfs/dbraw/zinc/44/18/48/661441848.db2.gz OINPFCDRGKFQJF-LVEBTZEWSA-N 2 1 356.417 -0.053 20 0 FBADMP O=C1COC[C@]2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)COCCN12 ZINC000866553964 661445494 /nfs/dbraw/zinc/44/54/94/661445494.db2.gz JISCJRVFOVRQOP-AEFFLSMTSA-N 2 1 353.463 -0.153 20 0 FBADMP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)COCCN12 ZINC000866553965 661445236 /nfs/dbraw/zinc/44/52/36/661445236.db2.gz JISCJRVFOVRQOP-FUHWJXTLSA-N 2 1 353.463 -0.153 20 0 FBADMP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)COCCN12 ZINC000866553966 661445458 /nfs/dbraw/zinc/44/54/58/661445458.db2.gz JISCJRVFOVRQOP-SJLPKXTDSA-N 2 1 353.463 -0.153 20 0 FBADMP O=C1COC[C@]2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)COCCN12 ZINC000866553967 661446201 /nfs/dbraw/zinc/44/62/01/661446201.db2.gz JISCJRVFOVRQOP-WMZOPIPTSA-N 2 1 353.463 -0.153 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000866676061 661446075 /nfs/dbraw/zinc/44/60/75/661446075.db2.gz USBBTBWNUNCFKF-CVEARBPZSA-N 2 1 360.524 -0.594 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000866676062 661445925 /nfs/dbraw/zinc/44/59/25/661445925.db2.gz USBBTBWNUNCFKF-HOTGVXAUSA-N 2 1 360.524 -0.594 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000866676063 661446186 /nfs/dbraw/zinc/44/61/86/661446186.db2.gz USBBTBWNUNCFKF-HZPDHXFCSA-N 2 1 360.524 -0.594 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000866676064 661446578 /nfs/dbraw/zinc/44/65/78/661446578.db2.gz USBBTBWNUNCFKF-JKSUJKDBSA-N 2 1 360.524 -0.594 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866707651 661447376 /nfs/dbraw/zinc/44/73/76/661447376.db2.gz BEAPVRPXYJMSGW-TUAOUCFPSA-N 2 1 351.407 -0.816 20 0 FBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866707651 661447373 /nfs/dbraw/zinc/44/73/73/661447373.db2.gz BEAPVRPXYJMSGW-TUAOUCFPSA-N 2 1 351.407 -0.816 20 0 FBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866707659 661447102 /nfs/dbraw/zinc/44/71/02/661447102.db2.gz BEAPVRPXYJMSGW-UTUOFQBUSA-N 2 1 351.407 -0.816 20 0 FBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866707659 661447089 /nfs/dbraw/zinc/44/70/89/661447089.db2.gz BEAPVRPXYJMSGW-UTUOFQBUSA-N 2 1 351.407 -0.816 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708778 661447341 /nfs/dbraw/zinc/44/73/41/661447341.db2.gz GRHNXFFUYPHRRX-BARDWOONSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708778 661447338 /nfs/dbraw/zinc/44/73/38/661447338.db2.gz GRHNXFFUYPHRRX-BARDWOONSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708779 661447026 /nfs/dbraw/zinc/44/70/26/661447026.db2.gz GRHNXFFUYPHRRX-TUVASFSCSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708779 661447019 /nfs/dbraw/zinc/44/70/19/661447019.db2.gz GRHNXFFUYPHRRX-TUVASFSCSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708780 661447253 /nfs/dbraw/zinc/44/72/53/661447253.db2.gz GRHNXFFUYPHRRX-XQLPTFJDSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708780 661447252 /nfs/dbraw/zinc/44/72/52/661447252.db2.gz GRHNXFFUYPHRRX-XQLPTFJDSA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708781 661447395 /nfs/dbraw/zinc/44/73/95/661447395.db2.gz GRHNXFFUYPHRRX-YJNKXOJESA-N 2 1 354.451 -0.215 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708781 661447389 /nfs/dbraw/zinc/44/73/89/661447389.db2.gz GRHNXFFUYPHRRX-YJNKXOJESA-N 2 1 354.451 -0.215 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709067 661447261 /nfs/dbraw/zinc/44/72/61/661447261.db2.gz PDHDFMBTMKEQSY-FQKPHLNHSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709067 661447260 /nfs/dbraw/zinc/44/72/60/661447260.db2.gz PDHDFMBTMKEQSY-FQKPHLNHSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709068 661447206 /nfs/dbraw/zinc/44/72/06/661447206.db2.gz PDHDFMBTMKEQSY-KHMAMNHCSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709068 661447194 /nfs/dbraw/zinc/44/71/94/661447194.db2.gz PDHDFMBTMKEQSY-KHMAMNHCSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709069 661447545 /nfs/dbraw/zinc/44/75/45/661447545.db2.gz PDHDFMBTMKEQSY-QMIVOQANSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709069 661447537 /nfs/dbraw/zinc/44/75/37/661447537.db2.gz PDHDFMBTMKEQSY-QMIVOQANSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709070 661447432 /nfs/dbraw/zinc/44/74/32/661447432.db2.gz PDHDFMBTMKEQSY-RYPNDVFKSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709070 661447428 /nfs/dbraw/zinc/44/74/28/661447428.db2.gz PDHDFMBTMKEQSY-RYPNDVFKSA-N 2 1 352.435 -0.463 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)O1 ZINC000866710583 661447515 /nfs/dbraw/zinc/44/75/15/661447515.db2.gz ZMGDELKUVYDSQA-KHMAMNHCSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)O1 ZINC000866710583 661447506 /nfs/dbraw/zinc/44/75/06/661447506.db2.gz ZMGDELKUVYDSQA-KHMAMNHCSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@@H](C)O1 ZINC000866710588 661447246 /nfs/dbraw/zinc/44/72/46/661447246.db2.gz ZMGDELKUVYDSQA-QMIVOQANSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@@H](C)O1 ZINC000866710588 661447241 /nfs/dbraw/zinc/44/72/41/661447241.db2.gz ZMGDELKUVYDSQA-QMIVOQANSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@@H](C)O1 ZINC000866710590 661447569 /nfs/dbraw/zinc/44/75/69/661447569.db2.gz ZMGDELKUVYDSQA-RYPNDVFKSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@@H](C)O1 ZINC000866710590 661447565 /nfs/dbraw/zinc/44/75/65/661447565.db2.gz ZMGDELKUVYDSQA-RYPNDVFKSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)O1 ZINC000866710592 661446968 /nfs/dbraw/zinc/44/69/68/661446968.db2.gz ZMGDELKUVYDSQA-ZQNQSHIBSA-N 2 1 352.435 -0.511 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)O1 ZINC000866710592 661446962 /nfs/dbraw/zinc/44/69/62/661446962.db2.gz ZMGDELKUVYDSQA-ZQNQSHIBSA-N 2 1 352.435 -0.511 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711291 661447475 /nfs/dbraw/zinc/44/74/75/661447475.db2.gz HEEXWINACABFAK-KFWWJZLASA-N 3 1 351.451 -0.983 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711291 661447468 /nfs/dbraw/zinc/44/74/68/661447468.db2.gz HEEXWINACABFAK-KFWWJZLASA-N 3 1 351.451 -0.983 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711291 661447461 /nfs/dbraw/zinc/44/74/61/661447461.db2.gz HEEXWINACABFAK-KFWWJZLASA-N 2 1 351.451 -0.983 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711292 661447311 /nfs/dbraw/zinc/44/73/11/661447311.db2.gz HEEXWINACABFAK-ZNMIVQPWSA-N 3 1 351.451 -0.983 20 0 FBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711292 661447305 /nfs/dbraw/zinc/44/73/05/661447305.db2.gz HEEXWINACABFAK-ZNMIVQPWSA-N 3 1 351.451 -0.983 20 0 FBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711292 661447299 /nfs/dbraw/zinc/44/72/99/661447299.db2.gz HEEXWINACABFAK-ZNMIVQPWSA-N 2 1 351.451 -0.983 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714088 661447441 /nfs/dbraw/zinc/44/74/41/661447441.db2.gz FWEVCPUYMNARIF-BARDWOONSA-N 2 1 372.491 -0.475 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714089 661447222 /nfs/dbraw/zinc/44/72/22/661447222.db2.gz FWEVCPUYMNARIF-TUVASFSCSA-N 2 1 372.491 -0.475 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714090 661447158 /nfs/dbraw/zinc/44/71/58/661447158.db2.gz FWEVCPUYMNARIF-XQLPTFJDSA-N 2 1 372.491 -0.475 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714091 661448008 /nfs/dbraw/zinc/44/80/08/661448008.db2.gz FWEVCPUYMNARIF-YJNKXOJESA-N 2 1 372.491 -0.475 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000866779876 661451804 /nfs/dbraw/zinc/45/18/04/661451804.db2.gz VKCLGDLXEMSSFG-KGLIPLIRSA-N 2 1 372.491 -0.333 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866816311 661452742 /nfs/dbraw/zinc/45/27/42/661452742.db2.gz KTYMFJQICRQZMU-UPJWGTAASA-N 2 1 358.464 -0.723 20 0 FBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866816313 661452808 /nfs/dbraw/zinc/45/28/08/661452808.db2.gz KTYMFJQICRQZMU-XQQFMLRXSA-N 2 1 358.464 -0.723 20 0 FBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867323918 661197988 /nfs/dbraw/zinc/19/79/88/661197988.db2.gz MMUUGBHRFPFDMC-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@@H]21 ZINC000867433667 661242681 /nfs/dbraw/zinc/24/26/81/661242681.db2.gz KQKVTLILVXJFAP-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@@H]21 ZINC000867433667 661242679 /nfs/dbraw/zinc/24/26/79/661242679.db2.gz KQKVTLILVXJFAP-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@@H]21 ZINC000867433671 661242842 /nfs/dbraw/zinc/24/28/42/661242842.db2.gz KQKVTLILVXJFAP-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@@H]21 ZINC000867433671 661242840 /nfs/dbraw/zinc/24/28/40/661242840.db2.gz KQKVTLILVXJFAP-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@H]21 ZINC000867433677 661242969 /nfs/dbraw/zinc/24/29/69/661242969.db2.gz KQKVTLILVXJFAP-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@H]21 ZINC000867433677 661242967 /nfs/dbraw/zinc/24/29/67/661242967.db2.gz KQKVTLILVXJFAP-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@H]21 ZINC000867433680 661242946 /nfs/dbraw/zinc/24/29/46/661242946.db2.gz KQKVTLILVXJFAP-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC[C@H]21 ZINC000867433680 661242945 /nfs/dbraw/zinc/24/29/45/661242945.db2.gz KQKVTLILVXJFAP-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867438728 661244529 /nfs/dbraw/zinc/24/45/29/661244529.db2.gz UPCGNVYWXYMQNQ-CVEARBPZSA-N 3 1 353.511 -0.509 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867438729 661244399 /nfs/dbraw/zinc/24/43/99/661244399.db2.gz UPCGNVYWXYMQNQ-HOTGVXAUSA-N 3 1 353.511 -0.509 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867438930 661244547 /nfs/dbraw/zinc/24/45/47/661244547.db2.gz UPCGNVYWXYMQNQ-HZPDHXFCSA-N 3 1 353.511 -0.509 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867438931 661244455 /nfs/dbraw/zinc/24/44/55/661244455.db2.gz UPCGNVYWXYMQNQ-JKSUJKDBSA-N 3 1 353.511 -0.509 20 0 FBADMP C[C@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000867550135 661457217 /nfs/dbraw/zinc/45/72/17/661457217.db2.gz WZFINIYKIFXJDA-KBPBESRZSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000867550135 661457208 /nfs/dbraw/zinc/45/72/08/661457208.db2.gz WZFINIYKIFXJDA-KBPBESRZSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000867550137 661456990 /nfs/dbraw/zinc/45/69/90/661456990.db2.gz WZFINIYKIFXJDA-KGLIPLIRSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000867550137 661456987 /nfs/dbraw/zinc/45/69/87/661456987.db2.gz WZFINIYKIFXJDA-KGLIPLIRSA-N 2 1 358.483 -0.034 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCC1(C)C ZINC000867742918 661462791 /nfs/dbraw/zinc/46/27/91/661462791.db2.gz ARRULYWWUCUJIX-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCC1(C)C ZINC000867742918 661462790 /nfs/dbraw/zinc/46/27/90/661462790.db2.gz ARRULYWWUCUJIX-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799320 661464895 /nfs/dbraw/zinc/46/48/95/661464895.db2.gz QTBUOIFNBDROMN-FZKCQIBNSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799320 661464892 /nfs/dbraw/zinc/46/48/92/661464892.db2.gz QTBUOIFNBDROMN-FZKCQIBNSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000867799320 661464888 /nfs/dbraw/zinc/46/48/88/661464888.db2.gz QTBUOIFNBDROMN-FZKCQIBNSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000867799320 661464885 /nfs/dbraw/zinc/46/48/85/661464885.db2.gz QTBUOIFNBDROMN-FZKCQIBNSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799322 661465076 /nfs/dbraw/zinc/46/50/76/661465076.db2.gz QTBUOIFNBDROMN-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799322 661465073 /nfs/dbraw/zinc/46/50/73/661465073.db2.gz QTBUOIFNBDROMN-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000867799322 661465070 /nfs/dbraw/zinc/46/50/70/661465070.db2.gz QTBUOIFNBDROMN-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000867799322 661465067 /nfs/dbraw/zinc/46/50/67/661465067.db2.gz QTBUOIFNBDROMN-QKPAOTATSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799324 661464975 /nfs/dbraw/zinc/46/49/75/661464975.db2.gz QTBUOIFNBDROMN-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799324 661464973 /nfs/dbraw/zinc/46/49/73/661464973.db2.gz QTBUOIFNBDROMN-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000867799324 661464971 /nfs/dbraw/zinc/46/49/71/661464971.db2.gz QTBUOIFNBDROMN-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000867799324 661464969 /nfs/dbraw/zinc/46/49/69/661464969.db2.gz QTBUOIFNBDROMN-QXSJWSMHSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799325 661465101 /nfs/dbraw/zinc/46/51/01/661465101.db2.gz QTBUOIFNBDROMN-XUWVNRHRSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H](C)[NH+]1CCO ZINC000867799325 661465098 /nfs/dbraw/zinc/46/50/98/661465098.db2.gz QTBUOIFNBDROMN-XUWVNRHRSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)[N@@H+]1CCO ZINC000867799325 661465096 /nfs/dbraw/zinc/46/50/96/661465096.db2.gz QTBUOIFNBDROMN-XUWVNRHRSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)[N@H+]1CCO ZINC000867799325 661465093 /nfs/dbraw/zinc/46/50/93/661465093.db2.gz QTBUOIFNBDROMN-XUWVNRHRSA-N 2 1 352.479 -0.548 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799629 661465025 /nfs/dbraw/zinc/46/50/25/661465025.db2.gz VQLCYTSWLYQEMJ-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799629 661465023 /nfs/dbraw/zinc/46/50/23/661465023.db2.gz VQLCYTSWLYQEMJ-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799629 661465022 /nfs/dbraw/zinc/46/50/22/661465022.db2.gz VQLCYTSWLYQEMJ-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799629 661465021 /nfs/dbraw/zinc/46/50/21/661465021.db2.gz VQLCYTSWLYQEMJ-CABCVRRESA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799630 661465038 /nfs/dbraw/zinc/46/50/38/661465038.db2.gz VQLCYTSWLYQEMJ-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799630 661465037 /nfs/dbraw/zinc/46/50/37/661465037.db2.gz VQLCYTSWLYQEMJ-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799630 661465035 /nfs/dbraw/zinc/46/50/35/661465035.db2.gz VQLCYTSWLYQEMJ-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@@H]21 ZINC000867799630 661465034 /nfs/dbraw/zinc/46/50/34/661465034.db2.gz VQLCYTSWLYQEMJ-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799631 661464812 /nfs/dbraw/zinc/46/48/12/661464812.db2.gz VQLCYTSWLYQEMJ-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799631 661464808 /nfs/dbraw/zinc/46/48/08/661464808.db2.gz VQLCYTSWLYQEMJ-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799631 661464804 /nfs/dbraw/zinc/46/48/04/661464804.db2.gz VQLCYTSWLYQEMJ-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799631 661464801 /nfs/dbraw/zinc/46/48/01/661464801.db2.gz VQLCYTSWLYQEMJ-HUUCEWRRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799632 661464952 /nfs/dbraw/zinc/46/49/52/661464952.db2.gz VQLCYTSWLYQEMJ-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799632 661464950 /nfs/dbraw/zinc/46/49/50/661464950.db2.gz VQLCYTSWLYQEMJ-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799632 661464947 /nfs/dbraw/zinc/46/49/47/661464947.db2.gz VQLCYTSWLYQEMJ-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC[C@H]21 ZINC000867799632 661464945 /nfs/dbraw/zinc/46/49/45/661464945.db2.gz VQLCYTSWLYQEMJ-LSDHHAIUSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000867842961 661465463 /nfs/dbraw/zinc/46/54/63/661465463.db2.gz CEJWPWPOIRFAFB-UHFFFAOYSA-N 2 1 352.479 -0.423 20 0 FBADMP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867966305 661467048 /nfs/dbraw/zinc/46/70/48/661467048.db2.gz NWPLQRZRHSESLQ-CYBMUJFWSA-N 2 1 355.236 -0.003 20 0 FBADMP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867966306 661466990 /nfs/dbraw/zinc/46/69/90/661466990.db2.gz NWPLQRZRHSESLQ-ZDUSSCGKSA-N 2 1 355.236 -0.003 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@H]21 ZINC000868385604 661471006 /nfs/dbraw/zinc/47/10/06/661471006.db2.gz VOAUSKLDAIVJDD-GDBMZVCRSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@H]21 ZINC000868385605 661471086 /nfs/dbraw/zinc/47/10/86/661471086.db2.gz VOAUSKLDAIVJDD-GOEBONIOSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@@H]21 ZINC000868385606 661471028 /nfs/dbraw/zinc/47/10/28/661471028.db2.gz VOAUSKLDAIVJDD-HOCLYGCPSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@@H]21 ZINC000868385607 661471626 /nfs/dbraw/zinc/47/16/26/661471626.db2.gz VOAUSKLDAIVJDD-ZBFHGGJFSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CN1 ZINC000868386396 661471643 /nfs/dbraw/zinc/47/16/43/661471643.db2.gz GVDPFTAANNWROW-CAOSSQGBSA-N 2 1 353.511 -0.607 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)CN1 ZINC000868386397 661471487 /nfs/dbraw/zinc/47/14/87/661471487.db2.gz GVDPFTAANNWROW-KLHDSHLOSA-N 2 1 353.511 -0.607 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CN1 ZINC000868386398 661471544 /nfs/dbraw/zinc/47/15/44/661471544.db2.gz GVDPFTAANNWROW-QKPAOTATSA-N 2 1 353.511 -0.607 20 0 FBADMP C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868386399 661471457 /nfs/dbraw/zinc/47/14/57/661471457.db2.gz GVDPFTAANNWROW-ZJIFWQFVSA-N 2 1 353.511 -0.607 20 0 FBADMP C[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)N1 ZINC000868390041 661471998 /nfs/dbraw/zinc/47/19/98/661471998.db2.gz WFKQXZRTSHNBFK-CAOSSQGBSA-N 2 1 353.511 -0.607 20 0 FBADMP C[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)N1 ZINC000868390042 661472049 /nfs/dbraw/zinc/47/20/49/661472049.db2.gz WFKQXZRTSHNBFK-KLHDSHLOSA-N 2 1 353.511 -0.607 20 0 FBADMP C[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)N1 ZINC000868390044 661471938 /nfs/dbraw/zinc/47/19/38/661471938.db2.gz WFKQXZRTSHNBFK-QKPAOTATSA-N 2 1 353.511 -0.607 20 0 FBADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000868393253 661471991 /nfs/dbraw/zinc/47/19/91/661471991.db2.gz LTPFLPMRGRJOED-IYOUNJFTSA-N 2 1 352.479 -0.513 20 0 FBADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000868393257 661471812 /nfs/dbraw/zinc/47/18/12/661471812.db2.gz LTPFLPMRGRJOED-PMUMKWKESA-N 2 1 352.479 -0.513 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868394417 661471836 /nfs/dbraw/zinc/47/18/36/661471836.db2.gz YVYHYEYRLFTLHW-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868394418 661472061 /nfs/dbraw/zinc/47/20/61/661472061.db2.gz YVYHYEYRLFTLHW-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868394419 661471980 /nfs/dbraw/zinc/47/19/80/661471980.db2.gz YVYHYEYRLFTLHW-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868394420 661472057 /nfs/dbraw/zinc/47/20/57/661472057.db2.gz YVYHYEYRLFTLHW-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@H]1C[NH+](C)C ZINC000868396042 661472319 /nfs/dbraw/zinc/47/23/19/661472319.db2.gz RAJMMMLPBHBDNT-KBUPBQIOSA-N 2 1 357.474 -0.918 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1(C)C ZINC000868403906 661472305 /nfs/dbraw/zinc/47/23/05/661472305.db2.gz AXLRJPTYCZMTTB-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1(C)C ZINC000868403910 661472423 /nfs/dbraw/zinc/47/24/23/661472423.db2.gz AXLRJPTYCZMTTB-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1(C)C ZINC000868404809 661472416 /nfs/dbraw/zinc/47/24/16/661472416.db2.gz GORNLPUCWSYJFY-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1(C)C ZINC000868404810 661472399 /nfs/dbraw/zinc/47/23/99/661472399.db2.gz GORNLPUCWSYJFY-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868417300 661472742 /nfs/dbraw/zinc/47/27/42/661472742.db2.gz JGNKOJYHMLLJSZ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868417319 661472757 /nfs/dbraw/zinc/47/27/57/661472757.db2.gz JGNKOJYHMLLJSZ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868417322 661472702 /nfs/dbraw/zinc/47/27/02/661472702.db2.gz JGNKOJYHMLLJSZ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868417323 661473115 /nfs/dbraw/zinc/47/31/15/661473115.db2.gz JGNKOJYHMLLJSZ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418328 661473121 /nfs/dbraw/zinc/47/31/21/661473121.db2.gz JPWROWDIEJPAKD-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418330 661473054 /nfs/dbraw/zinc/47/30/54/661473054.db2.gz JPWROWDIEJPAKD-HOTGVXAUSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418332 661473155 /nfs/dbraw/zinc/47/31/55/661473155.db2.gz JPWROWDIEJPAKD-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418335 661473159 /nfs/dbraw/zinc/47/31/59/661473159.db2.gz JPWROWDIEJPAKD-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C2CCOCC2)CC1 ZINC000868418872 661473060 /nfs/dbraw/zinc/47/30/60/661473060.db2.gz LSONAAIHGGOSRV-CVEARBPZSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C2CCOCC2)CC1 ZINC000868418874 661473144 /nfs/dbraw/zinc/47/31/44/661473144.db2.gz LSONAAIHGGOSRV-HOTGVXAUSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH+](C2CCOCC2)CC1 ZINC000868418876 661473089 /nfs/dbraw/zinc/47/30/89/661473089.db2.gz LSONAAIHGGOSRV-HZPDHXFCSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](C2CCOCC2)CC1 ZINC000868418878 661473068 /nfs/dbraw/zinc/47/30/68/661473068.db2.gz LSONAAIHGGOSRV-JKSUJKDBSA-N 2 1 350.463 -0.338 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC[N@H+]1CC(C)(C)O ZINC000868418888 661473027 /nfs/dbraw/zinc/47/30/27/661473027.db2.gz LUIHOKMYDQTJPO-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC[N@@H+]1CC(C)(C)O ZINC000868418888 661473024 /nfs/dbraw/zinc/47/30/24/661473024.db2.gz LUIHOKMYDQTJPO-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC[N@H+]1CC(C)(C)O ZINC000868418890 661473142 /nfs/dbraw/zinc/47/31/42/661473142.db2.gz LUIHOKMYDQTJPO-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC[N@@H+]1CC(C)(C)O ZINC000868418890 661473141 /nfs/dbraw/zinc/47/31/41/661473141.db2.gz LUIHOKMYDQTJPO-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000868418892 661473083 /nfs/dbraw/zinc/47/30/83/661473083.db2.gz LUIHOKMYDQTJPO-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000868418892 661473081 /nfs/dbraw/zinc/47/30/81/661473081.db2.gz LUIHOKMYDQTJPO-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000868418894 661473147 /nfs/dbraw/zinc/47/31/47/661473147.db2.gz LUIHOKMYDQTJPO-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC[N@@H+]1CC(C)(C)O ZINC000868418894 661473146 /nfs/dbraw/zinc/47/31/46/661473146.db2.gz LUIHOKMYDQTJPO-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419446 661473544 /nfs/dbraw/zinc/47/35/44/661473544.db2.gz PDBXQLJKUNMLJG-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419447 661473412 /nfs/dbraw/zinc/47/34/12/661473412.db2.gz PDBXQLJKUNMLJG-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419448 661473479 /nfs/dbraw/zinc/47/34/79/661473479.db2.gz PDBXQLJKUNMLJG-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419449 661473359 /nfs/dbraw/zinc/47/33/59/661473359.db2.gz PDBXQLJKUNMLJG-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CC[NH+](C)C ZINC000868419504 661473561 /nfs/dbraw/zinc/47/35/61/661473561.db2.gz PUMYODIYRATKRW-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419504 661473559 /nfs/dbraw/zinc/47/35/59/661473559.db2.gz PUMYODIYRATKRW-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CC[NH+](C)C ZINC000868419508 661473439 /nfs/dbraw/zinc/47/34/39/661473439.db2.gz PUMYODIYRATKRW-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419508 661473437 /nfs/dbraw/zinc/47/34/37/661473437.db2.gz PUMYODIYRATKRW-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CC[NH+](C)C ZINC000868419509 661473538 /nfs/dbraw/zinc/47/35/38/661473538.db2.gz PUMYODIYRATKRW-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419509 661473536 /nfs/dbraw/zinc/47/35/36/661473536.db2.gz PUMYODIYRATKRW-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CC[NH+](C)C ZINC000868419511 661473465 /nfs/dbraw/zinc/47/34/65/661473465.db2.gz PUMYODIYRATKRW-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419511 661473460 /nfs/dbraw/zinc/47/34/60/661473460.db2.gz PUMYODIYRATKRW-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000868420576 661473383 /nfs/dbraw/zinc/47/33/83/661473383.db2.gz XTQAMNRERSKEKB-HRCADAONSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000868420581 661473344 /nfs/dbraw/zinc/47/33/44/661473344.db2.gz XTQAMNRERSKEKB-JYJNAYRXSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000868420582 661473425 /nfs/dbraw/zinc/47/34/25/661473425.db2.gz XTQAMNRERSKEKB-OWCLPIDISA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000868420584 661473570 /nfs/dbraw/zinc/47/35/70/661473570.db2.gz XTQAMNRERSKEKB-PMPSAXMXSA-N 2 1 350.463 -0.480 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868809843 661475814 /nfs/dbraw/zinc/47/58/14/661475814.db2.gz LTPWGWOUFUIQML-KBPBESRZSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868809843 661475810 /nfs/dbraw/zinc/47/58/10/661475810.db2.gz LTPWGWOUFUIQML-KBPBESRZSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868809845 661475951 /nfs/dbraw/zinc/47/59/51/661475951.db2.gz LTPWGWOUFUIQML-KGLIPLIRSA-N 2 1 358.483 -0.034 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868809845 661475950 /nfs/dbraw/zinc/47/59/50/661475950.db2.gz LTPWGWOUFUIQML-KGLIPLIRSA-N 2 1 358.483 -0.034 20 0 FBADMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000869150703 661478635 /nfs/dbraw/zinc/47/86/35/661478635.db2.gz RVMAGCUSNIGMCY-KGLIPLIRSA-N 2 1 356.467 -0.281 20 0 FBADMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000869150703 661478634 /nfs/dbraw/zinc/47/86/34/661478634.db2.gz RVMAGCUSNIGMCY-KGLIPLIRSA-N 2 1 356.467 -0.281 20 0 FBADMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000869195645 661478865 /nfs/dbraw/zinc/47/88/65/661478865.db2.gz XOZQDQZOHOFPJZ-MJBXVCDLSA-N 2 1 356.467 -0.281 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000870863379 661487026 /nfs/dbraw/zinc/48/70/26/661487026.db2.gz DHBVGFKVOBBJMZ-BFHYXJOUSA-N 2 1 354.451 -0.661 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000870863379 661487023 /nfs/dbraw/zinc/48/70/23/661487023.db2.gz DHBVGFKVOBBJMZ-BFHYXJOUSA-N 2 1 354.451 -0.661 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC000870863379 661487020 /nfs/dbraw/zinc/48/70/20/661487020.db2.gz DHBVGFKVOBBJMZ-BFHYXJOUSA-N 2 1 354.451 -0.661 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000870863380 661486988 /nfs/dbraw/zinc/48/69/88/661486988.db2.gz DHBVGFKVOBBJMZ-IHRRRGAJSA-N 2 1 354.451 -0.661 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000870863380 661486986 /nfs/dbraw/zinc/48/69/86/661486986.db2.gz DHBVGFKVOBBJMZ-IHRRRGAJSA-N 2 1 354.451 -0.661 20 0 FBADMP COC(=O)[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000870863380 661486983 /nfs/dbraw/zinc/48/69/83/661486983.db2.gz DHBVGFKVOBBJMZ-IHRRRGAJSA-N 2 1 354.451 -0.661 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000872188879 661492007 /nfs/dbraw/zinc/49/20/07/661492007.db2.gz GAKZCHXXXARRCC-KBXCAEBGSA-N 2 1 350.463 -0.623 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872190473 661492243 /nfs/dbraw/zinc/49/22/43/661492243.db2.gz UECHWAYDPUTVNX-KBXCAEBGSA-N 2 1 352.479 -0.641 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@H+]1CC(C)(C)O ZINC000872190887 661492538 /nfs/dbraw/zinc/49/25/38/661492538.db2.gz FSTJDAOKXSYVCC-QWQRMKEZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000872190887 661492537 /nfs/dbraw/zinc/49/25/37/661492537.db2.gz FSTJDAOKXSYVCC-QWQRMKEZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@H+]1CC(C)(C)O ZINC000872190889 661492558 /nfs/dbraw/zinc/49/25/58/661492558.db2.gz FSTJDAOKXSYVCC-SUNYJGFJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000872190889 661492557 /nfs/dbraw/zinc/49/25/57/661492557.db2.gz FSTJDAOKXSYVCC-SUNYJGFJSA-N 2 1 352.479 -0.642 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872191624 661492548 /nfs/dbraw/zinc/49/25/48/661492548.db2.gz YYIOKODJFAKBEQ-MAUKXSAKSA-N 2 1 351.495 -0.850 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000872191860 661492579 /nfs/dbraw/zinc/49/25/79/661492579.db2.gz PZTTXAIJDDUZNB-RLFYNMQTSA-N 2 1 350.463 -0.765 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000872191861 661492625 /nfs/dbraw/zinc/49/26/25/661492625.db2.gz PZTTXAIJDDUZNB-RVKKMQEKSA-N 2 1 350.463 -0.765 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192984 661492815 /nfs/dbraw/zinc/49/28/15/661492815.db2.gz NWCKUPDKCOCVFG-QWQRMKEZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192984 661492814 /nfs/dbraw/zinc/49/28/14/661492814.db2.gz NWCKUPDKCOCVFG-QWQRMKEZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192985 661492866 /nfs/dbraw/zinc/49/28/66/661492866.db2.gz NWCKUPDKCOCVFG-SUNYJGFJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192985 661492865 /nfs/dbraw/zinc/49/28/65/661492865.db2.gz NWCKUPDKCOCVFG-SUNYJGFJSA-N 2 1 352.479 -0.642 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872194299 661493056 /nfs/dbraw/zinc/49/30/56/661493056.db2.gz GXWUGXCQOFVMNC-KBXCAEBGSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CC[NH+](C)C ZINC000872196908 661493363 /nfs/dbraw/zinc/49/33/63/661493363.db2.gz XSJUWNCTSRSEDT-MAUKXSAKSA-N 2 1 353.511 -0.604 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872196908 661493361 /nfs/dbraw/zinc/49/33/61/661493361.db2.gz XSJUWNCTSRSEDT-MAUKXSAKSA-N 2 1 353.511 -0.604 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000872254701 661494082 /nfs/dbraw/zinc/49/40/82/661494082.db2.gz JRTRWYFGUQQQQQ-ILXRZTDVSA-N 2 1 352.435 -0.509 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000872254701 661494080 /nfs/dbraw/zinc/49/40/80/661494080.db2.gz JRTRWYFGUQQQQQ-ILXRZTDVSA-N 2 1 352.435 -0.509 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000872254703 661493979 /nfs/dbraw/zinc/49/39/79/661493979.db2.gz JRTRWYFGUQQQQQ-QLFBSQMISA-N 2 1 352.435 -0.509 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000872254703 661493976 /nfs/dbraw/zinc/49/39/76/661493976.db2.gz JRTRWYFGUQQQQQ-QLFBSQMISA-N 2 1 352.435 -0.509 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)CC23CCOCC3)CC1 ZINC000872293073 661494342 /nfs/dbraw/zinc/49/43/42/661494342.db2.gz FNMCITMOCZFUFP-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)CC23CCOCC3)CC1 ZINC000872293073 661494334 /nfs/dbraw/zinc/49/43/34/661494334.db2.gz FNMCITMOCZFUFP-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC000872617195 661497340 /nfs/dbraw/zinc/49/73/40/661497340.db2.gz NCUIQORFXWXOTM-JKSUJKDBSA-N 2 1 360.524 -0.905 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCS(N)(=O)=O)CC2)CC1 ZINC000874601363 661509941 /nfs/dbraw/zinc/50/99/41/661509941.db2.gz HRBOQEVYIQGXOG-UHFFFAOYSA-N 2 1 360.524 -0.070 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000875065678 661512754 /nfs/dbraw/zinc/51/27/54/661512754.db2.gz HPJRSDWZGHQJAO-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000875065679 661512633 /nfs/dbraw/zinc/51/26/33/661512633.db2.gz HPJRSDWZGHQJAO-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000875065680 661512667 /nfs/dbraw/zinc/51/26/67/661512667.db2.gz HPJRSDWZGHQJAO-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000875065681 661512827 /nfs/dbraw/zinc/51/28/27/661512827.db2.gz HPJRSDWZGHQJAO-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875068484 661512952 /nfs/dbraw/zinc/51/29/52/661512952.db2.gz NOUHTASVTGURIJ-AWEZNQCLSA-N 2 1 355.483 -0.705 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875068484 661512950 /nfs/dbraw/zinc/51/29/50/661512950.db2.gz NOUHTASVTGURIJ-AWEZNQCLSA-N 2 1 355.483 -0.705 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875085058 661513407 /nfs/dbraw/zinc/51/34/07/661513407.db2.gz TWLVMRXEXDOMSC-AWEZNQCLSA-N 2 1 355.483 -0.659 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875085058 661513405 /nfs/dbraw/zinc/51/34/05/661513405.db2.gz TWLVMRXEXDOMSC-AWEZNQCLSA-N 2 1 355.483 -0.659 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875114664 661514428 /nfs/dbraw/zinc/51/44/28/661514428.db2.gz ZZVVYKCJTBXFOJ-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875114665 661514283 /nfs/dbraw/zinc/51/42/83/661514283.db2.gz ZZVVYKCJTBXFOJ-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875114666 661514351 /nfs/dbraw/zinc/51/43/51/661514351.db2.gz ZZVVYKCJTBXFOJ-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875114667 661514464 /nfs/dbraw/zinc/51/44/64/661514464.db2.gz ZZVVYKCJTBXFOJ-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1C[NH+](C)C ZINC000875125043 661514361 /nfs/dbraw/zinc/51/43/61/661514361.db2.gz FFJKKMHVTQRDKB-HUUCEWRRSA-N 3 1 353.511 -0.605 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000875125164 661514581 /nfs/dbraw/zinc/51/45/81/661514581.db2.gz HSVBJGJHHHKYHH-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000875125164 661514578 /nfs/dbraw/zinc/51/45/78/661514578.db2.gz HSVBJGJHHHKYHH-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000875125631 661514722 /nfs/dbraw/zinc/51/47/22/661514722.db2.gz RGXPDXVJRZVMDF-UHFFFAOYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150371 661514915 /nfs/dbraw/zinc/51/49/15/661514915.db2.gz BKBDODQESNFDRX-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150371 661514912 /nfs/dbraw/zinc/51/49/12/661514912.db2.gz BKBDODQESNFDRX-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150374 661515003 /nfs/dbraw/zinc/51/50/03/661515003.db2.gz BKBDODQESNFDRX-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150374 661515000 /nfs/dbraw/zinc/51/50/00/661515000.db2.gz BKBDODQESNFDRX-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150376 661514942 /nfs/dbraw/zinc/51/49/42/661514942.db2.gz BKBDODQESNFDRX-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150376 661514939 /nfs/dbraw/zinc/51/49/39/661514939.db2.gz BKBDODQESNFDRX-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150378 661514854 /nfs/dbraw/zinc/51/48/54/661514854.db2.gz BKBDODQESNFDRX-PMPSAXMXSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000875150378 661514853 /nfs/dbraw/zinc/51/48/53/661514853.db2.gz BKBDODQESNFDRX-PMPSAXMXSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155164 661515502 /nfs/dbraw/zinc/51/55/02/661515502.db2.gz CAYMJSUVTHWYQW-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155164 661515500 /nfs/dbraw/zinc/51/55/00/661515500.db2.gz CAYMJSUVTHWYQW-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155164 661515498 /nfs/dbraw/zinc/51/54/98/661515498.db2.gz CAYMJSUVTHWYQW-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155165 661515347 /nfs/dbraw/zinc/51/53/47/661515347.db2.gz CAYMJSUVTHWYQW-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155165 661515345 /nfs/dbraw/zinc/51/53/45/661515345.db2.gz CAYMJSUVTHWYQW-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155165 661515343 /nfs/dbraw/zinc/51/53/43/661515343.db2.gz CAYMJSUVTHWYQW-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155166 661515274 /nfs/dbraw/zinc/51/52/74/661515274.db2.gz CAYMJSUVTHWYQW-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155166 661515273 /nfs/dbraw/zinc/51/52/73/661515273.db2.gz CAYMJSUVTHWYQW-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155166 661515271 /nfs/dbraw/zinc/51/52/71/661515271.db2.gz CAYMJSUVTHWYQW-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515407 /nfs/dbraw/zinc/51/54/07/661515407.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515405 /nfs/dbraw/zinc/51/54/05/661515405.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515403 /nfs/dbraw/zinc/51/54/03/661515403.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515388 /nfs/dbraw/zinc/51/53/88/661515388.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515386 /nfs/dbraw/zinc/51/53/86/661515386.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515384 /nfs/dbraw/zinc/51/53/84/661515384.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515442 /nfs/dbraw/zinc/51/54/42/661515442.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515440 /nfs/dbraw/zinc/51/54/40/661515440.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515436 /nfs/dbraw/zinc/51/54/36/661515436.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515256 /nfs/dbraw/zinc/51/52/56/661515256.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515254 /nfs/dbraw/zinc/51/52/54/661515254.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515252 /nfs/dbraw/zinc/51/52/52/661515252.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515329 /nfs/dbraw/zinc/51/53/29/661515329.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515327 /nfs/dbraw/zinc/51/53/27/661515327.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515325 /nfs/dbraw/zinc/51/53/25/661515325.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 2 1 350.463 -0.482 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875167926 661515682 /nfs/dbraw/zinc/51/56/82/661515682.db2.gz PJVIIUGGQGHZTL-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875167926 661515680 /nfs/dbraw/zinc/51/56/80/661515680.db2.gz PJVIIUGGQGHZTL-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875167926 661515677 /nfs/dbraw/zinc/51/56/77/661515677.db2.gz PJVIIUGGQGHZTL-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875167927 661515895 /nfs/dbraw/zinc/51/58/95/661515895.db2.gz PJVIIUGGQGHZTL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875167927 661515893 /nfs/dbraw/zinc/51/58/93/661515893.db2.gz PJVIIUGGQGHZTL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875167927 661515891 /nfs/dbraw/zinc/51/58/91/661515891.db2.gz PJVIIUGGQGHZTL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875167928 661515835 /nfs/dbraw/zinc/51/58/35/661515835.db2.gz PJVIIUGGQGHZTL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875167928 661515832 /nfs/dbraw/zinc/51/58/32/661515832.db2.gz PJVIIUGGQGHZTL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875167928 661515830 /nfs/dbraw/zinc/51/58/30/661515830.db2.gz PJVIIUGGQGHZTL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875167929 661515909 /nfs/dbraw/zinc/51/59/09/661515909.db2.gz PJVIIUGGQGHZTL-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875167929 661515907 /nfs/dbraw/zinc/51/59/07/661515907.db2.gz PJVIIUGGQGHZTL-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875167929 661515904 /nfs/dbraw/zinc/51/59/04/661515904.db2.gz PJVIIUGGQGHZTL-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000875202430 661516845 /nfs/dbraw/zinc/51/68/45/661516845.db2.gz YMNPJBVQLPNHMK-ZIAGYGMSSA-N 2 1 350.467 -0.468 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875209373 661516985 /nfs/dbraw/zinc/51/69/85/661516985.db2.gz QCMAZFWHWNVCBM-CSLYMUCUSA-N 2 1 353.511 -0.273 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875209379 661516995 /nfs/dbraw/zinc/51/69/95/661516995.db2.gz QCMAZFWHWNVCBM-SWKXRBFHSA-N 2 1 353.511 -0.273 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875239143 661518073 /nfs/dbraw/zinc/51/80/73/661518073.db2.gz DVCCVEVZYBXNPB-ILXRZTDVSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875239143 661518069 /nfs/dbraw/zinc/51/80/69/661518069.db2.gz DVCCVEVZYBXNPB-ILXRZTDVSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000875239143 661518067 /nfs/dbraw/zinc/51/80/67/661518067.db2.gz DVCCVEVZYBXNPB-ILXRZTDVSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875239144 661518039 /nfs/dbraw/zinc/51/80/39/661518039.db2.gz DVCCVEVZYBXNPB-KFWWJZLASA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875239144 661518036 /nfs/dbraw/zinc/51/80/36/661518036.db2.gz DVCCVEVZYBXNPB-KFWWJZLASA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000875239144 661518033 /nfs/dbraw/zinc/51/80/33/661518033.db2.gz DVCCVEVZYBXNPB-KFWWJZLASA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875239145 661517953 /nfs/dbraw/zinc/51/79/53/661517953.db2.gz DVCCVEVZYBXNPB-KKUMJFAQSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875239145 661517952 /nfs/dbraw/zinc/51/79/52/661517952.db2.gz DVCCVEVZYBXNPB-KKUMJFAQSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000875239145 661517947 /nfs/dbraw/zinc/51/79/47/661517947.db2.gz DVCCVEVZYBXNPB-KKUMJFAQSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875239146 661517887 /nfs/dbraw/zinc/51/78/87/661517887.db2.gz DVCCVEVZYBXNPB-ZNMIVQPWSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875239146 661517884 /nfs/dbraw/zinc/51/78/84/661517884.db2.gz DVCCVEVZYBXNPB-ZNMIVQPWSA-N 2 1 353.467 -0.511 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000875239146 661517879 /nfs/dbraw/zinc/51/78/79/661517879.db2.gz DVCCVEVZYBXNPB-ZNMIVQPWSA-N 2 1 353.467 -0.511 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000875271495 661518673 /nfs/dbraw/zinc/51/86/73/661518673.db2.gz KATVZHJAKZYAPK-INIZCTEOSA-N 2 1 353.511 -0.014 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000875271496 661518616 /nfs/dbraw/zinc/51/86/16/661518616.db2.gz KATVZHJAKZYAPK-MRXNPFEDSA-N 2 1 353.511 -0.014 20 0 FBADMP CN1CCN(C)[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875271742 661518533 /nfs/dbraw/zinc/51/85/33/661518533.db2.gz MSQZTKFCBAREDO-BRWVUGGUSA-N 2 1 354.543 -0.387 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875271742 661518532 /nfs/dbraw/zinc/51/85/32/661518532.db2.gz MSQZTKFCBAREDO-BRWVUGGUSA-N 3 1 354.543 -0.387 20 0 FBADMP CN1CCN(C)[C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875271743 661518608 /nfs/dbraw/zinc/51/86/08/661518608.db2.gz MSQZTKFCBAREDO-ZACQAIPSSA-N 2 1 354.543 -0.387 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875271743 661518605 /nfs/dbraw/zinc/51/86/05/661518605.db2.gz MSQZTKFCBAREDO-ZACQAIPSSA-N 3 1 354.543 -0.387 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000875712651 661525272 /nfs/dbraw/zinc/52/52/72/661525272.db2.gz HBBDLCLKUVWFLE-MELADBBJSA-N 2 1 353.467 -0.485 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000875712651 661525270 /nfs/dbraw/zinc/52/52/70/661525270.db2.gz HBBDLCLKUVWFLE-MELADBBJSA-N 2 1 353.467 -0.485 20 0 FBADMP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000875725935 661525155 /nfs/dbraw/zinc/52/51/55/661525155.db2.gz CIEHICAPHUDFGA-QRHJNKNDSA-N 2 1 352.479 -0.357 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876726212 661536394 /nfs/dbraw/zinc/53/63/94/661536394.db2.gz WEAUEOOUCDBXFY-KRWDZBQOSA-N 2 1 356.467 -0.902 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876726213 661536100 /nfs/dbraw/zinc/53/61/00/661536100.db2.gz WEAUEOOUCDBXFY-QGZVFWFLSA-N 2 1 356.467 -0.902 20 0 FBADMP COC[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750016 661536513 /nfs/dbraw/zinc/53/65/13/661536513.db2.gz SGYIFVKGZOZHJZ-PBHICJAKSA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750018 661536327 /nfs/dbraw/zinc/53/63/27/661536327.db2.gz SGYIFVKGZOZHJZ-RHSMWYFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750022 661536309 /nfs/dbraw/zinc/53/63/09/661536309.db2.gz SGYIFVKGZOZHJZ-WMLDXEAASA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750026 661536109 /nfs/dbraw/zinc/53/61/09/661536109.db2.gz SGYIFVKGZOZHJZ-YOEHRIQHSA-N 2 1 356.467 -0.950 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)CC1 ZINC000876753868 661536835 /nfs/dbraw/zinc/53/68/35/661536835.db2.gz BHDNTDCTVGOABQ-INIZCTEOSA-N 2 1 353.511 -0.332 20 0 FBADMP [NH3+]C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1(F)F ZINC000876779969 661537029 /nfs/dbraw/zinc/53/70/29/661537029.db2.gz ADMIKZPVBPRTFD-CHWSQXEVSA-N 2 1 354.405 -0.055 20 0 FBADMP COC[C@@]1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[NH2+]CCO1 ZINC000876973151 661539122 /nfs/dbraw/zinc/53/91/22/661539122.db2.gz BONXSBHLCOKBIF-IIDMSEBBSA-N 2 1 353.463 -0.249 20 0 FBADMP COC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[NH2+]CCO1 ZINC000876973152 661539004 /nfs/dbraw/zinc/53/90/04/661539004.db2.gz BONXSBHLCOKBIF-RKVPGOIHSA-N 2 1 353.463 -0.249 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000877928311 661542769 /nfs/dbraw/zinc/54/27/69/661542769.db2.gz RPCDDIZHCNIRCI-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000877928312 661542805 /nfs/dbraw/zinc/54/28/05/661542805.db2.gz RPCDDIZHCNIRCI-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000877974712 661543041 /nfs/dbraw/zinc/54/30/41/661543041.db2.gz ARDWXFSBESVGCO-HNNXBMFYSA-N 2 1 360.524 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000877974712 661543040 /nfs/dbraw/zinc/54/30/40/661543040.db2.gz ARDWXFSBESVGCO-HNNXBMFYSA-N 2 1 360.524 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000877974713 661543378 /nfs/dbraw/zinc/54/33/78/661543378.db2.gz ARDWXFSBESVGCO-OAHLLOKOSA-N 2 1 360.524 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000877974713 661543375 /nfs/dbraw/zinc/54/33/75/661543375.db2.gz ARDWXFSBESVGCO-OAHLLOKOSA-N 2 1 360.524 -0.009 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199160 661544458 /nfs/dbraw/zinc/54/44/58/661544458.db2.gz UMZYFHGYDOSIHW-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199161 661544390 /nfs/dbraw/zinc/54/43/90/661544390.db2.gz UMZYFHGYDOSIHW-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000878292896 661545066 /nfs/dbraw/zinc/54/50/66/661545066.db2.gz TZPXXEMENGIWED-INIZCTEOSA-N 2 1 351.495 -0.389 20 0 FBADMP C[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000878292897 661545037 /nfs/dbraw/zinc/54/50/37/661545037.db2.gz TZPXXEMENGIWED-MRXNPFEDSA-N 2 1 351.495 -0.389 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000878602320 661547028 /nfs/dbraw/zinc/54/70/28/661547028.db2.gz XHQLLBGKGLDWAY-AWEZNQCLSA-N 2 1 360.524 -0.200 20 0 FBADMP CN(C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000878602320 661547025 /nfs/dbraw/zinc/54/70/25/661547025.db2.gz XHQLLBGKGLDWAY-AWEZNQCLSA-N 2 1 360.524 -0.200 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000878602321 661546936 /nfs/dbraw/zinc/54/69/36/661546936.db2.gz XHQLLBGKGLDWAY-CQSZACIVSA-N 2 1 360.524 -0.200 20 0 FBADMP CN(C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000878602321 661546933 /nfs/dbraw/zinc/54/69/33/661546933.db2.gz XHQLLBGKGLDWAY-CQSZACIVSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000878621067 661547289 /nfs/dbraw/zinc/54/72/89/661547289.db2.gz DDXKPMLYPDYMMT-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000878621067 661547287 /nfs/dbraw/zinc/54/72/87/661547287.db2.gz DDXKPMLYPDYMMT-AWEZNQCLSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000878621068 661547359 /nfs/dbraw/zinc/54/73/59/661547359.db2.gz DDXKPMLYPDYMMT-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000878621068 661547358 /nfs/dbraw/zinc/54/73/58/661547358.db2.gz DDXKPMLYPDYMMT-CQSZACIVSA-N 2 1 372.535 -0.009 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@H+]2CCN(C)C[C@H]2CO)[C@@H](CO)C1 ZINC000879001443 661548721 /nfs/dbraw/zinc/54/87/21/661548721.db2.gz XGMGLACGCVJFEX-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CCN(C)C[C@H]2CO)[C@@H](CO)C1 ZINC000879001443 661548719 /nfs/dbraw/zinc/54/87/19/661548719.db2.gz XGMGLACGCVJFEX-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CCN(C)C[C@H]2CO)[C@@H](CO)C1 ZINC000879001443 661548716 /nfs/dbraw/zinc/54/87/16/661548716.db2.gz XGMGLACGCVJFEX-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CCN(C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000879001444 661548738 /nfs/dbraw/zinc/54/87/38/661548738.db2.gz XGMGLACGCVJFEX-QZTJIDSGSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CCN(C)C[C@H]2CO)[C@H](CO)C1 ZINC000879001445 661548616 /nfs/dbraw/zinc/54/86/16/661548616.db2.gz XGMGLACGCVJFEX-ROUUACIJSA-N 2 1 372.630 -0.089 20 0 FBADMP COCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)CC1CC[NH+](C)CC1 ZINC000879122237 661549478 /nfs/dbraw/zinc/54/94/78/661549478.db2.gz JTSDBMHTCITHSK-UHFFFAOYSA-N 2 1 354.495 -0.033 20 0 FBADMP COCC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000879124847 661549535 /nfs/dbraw/zinc/54/95/35/661549535.db2.gz GFGGKDVGABREFQ-UHFFFAOYSA-N 2 1 373.523 -0.011 20 0 FBADMP C[Si](C)(CC[NH+]1C[C@H](CO)[C@H](CO)C1)CC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696626 661552494 /nfs/dbraw/zinc/55/24/94/661552494.db2.gz KDPXSMPOFDGBIU-USTZCAOPSA-N 2 1 374.598 -0.240 20 0 FBADMP OC[C@H]1C[NH+]2CCC[C@H]2CN1CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072255 661555019 /nfs/dbraw/zinc/55/50/19/661555019.db2.gz YLVHHGLHKCGLGO-INDMIFKZSA-N 2 1 352.523 -0.342 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254193 661557025 /nfs/dbraw/zinc/55/70/25/661557025.db2.gz OOBMCMWELQFJIX-INIZCTEOSA-N 2 1 356.511 -0.269 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254197 661557114 /nfs/dbraw/zinc/55/71/14/661557114.db2.gz OOBMCMWELQFJIX-MRXNPFEDSA-N 2 1 356.511 -0.269 20 0 FBADMP COC(=O)[C@@]1(O)CC[N@H+](CCCCC[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564509 661558990 /nfs/dbraw/zinc/55/89/90/661558990.db2.gz OCQUWWQQVFWFDZ-CALCHBBNSA-N 2 1 358.435 -0.624 20 0 FBADMP COC(=O)[C@@]1(O)CC[N@@H+](CCCCC[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564509 661558987 /nfs/dbraw/zinc/55/89/87/661558987.db2.gz OCQUWWQQVFWFDZ-CALCHBBNSA-N 2 1 358.435 -0.624 20 0 FBADMP COC(=O)[C@@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564509 661558983 /nfs/dbraw/zinc/55/89/83/661558983.db2.gz OCQUWWQQVFWFDZ-CALCHBBNSA-N 2 1 358.435 -0.624 20 0 FBADMP COC(=O)[C@@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564512 661558629 /nfs/dbraw/zinc/55/86/29/661558629.db2.gz OCQUWWQQVFWFDZ-IAGOWNOFSA-N 2 1 358.435 -0.624 20 0 FBADMP COC(=O)[C@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564514 661558780 /nfs/dbraw/zinc/55/87/80/661558780.db2.gz OCQUWWQQVFWFDZ-IRXDYDNUSA-N 2 1 358.435 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)Cn2cc(CCC[NH+]3CCOCC3)nn2)CC1 ZINC000881330444 661560960 /nfs/dbraw/zinc/56/09/60/661560960.db2.gz PCVGQRFUPMHUJO-UHFFFAOYSA-N 2 1 350.467 -0.247 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC)O1 ZINC000882495631 661571618 /nfs/dbraw/zinc/57/16/18/661571618.db2.gz VJYZDIYSLZCVMD-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC)O1 ZINC000882495631 661571616 /nfs/dbraw/zinc/57/16/16/661571616.db2.gz VJYZDIYSLZCVMD-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)O1 ZINC000882495631 661571615 /nfs/dbraw/zinc/57/16/15/661571615.db2.gz VJYZDIYSLZCVMD-FPCVCCKLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC)O1 ZINC000882495632 661571636 /nfs/dbraw/zinc/57/16/36/661571636.db2.gz VJYZDIYSLZCVMD-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)O1 ZINC000882495632 661571635 /nfs/dbraw/zinc/57/16/35/661571635.db2.gz VJYZDIYSLZCVMD-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)O1 ZINC000882495632 661571634 /nfs/dbraw/zinc/57/16/34/661571634.db2.gz VJYZDIYSLZCVMD-GEEKYZPCSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)O1 ZINC000882495633 661571699 /nfs/dbraw/zinc/57/16/99/661571699.db2.gz VJYZDIYSLZCVMD-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)O1 ZINC000882495633 661571696 /nfs/dbraw/zinc/57/16/96/661571696.db2.gz VJYZDIYSLZCVMD-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC)O1 ZINC000882495633 661571694 /nfs/dbraw/zinc/57/16/94/661571694.db2.gz VJYZDIYSLZCVMD-SYMSYNOKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC)O1 ZINC000882495634 661571765 /nfs/dbraw/zinc/57/17/65/661571765.db2.gz VJYZDIYSLZCVMD-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)O1 ZINC000882495634 661571762 /nfs/dbraw/zinc/57/17/62/661571762.db2.gz VJYZDIYSLZCVMD-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)O1 ZINC000882495634 661571758 /nfs/dbraw/zinc/57/17/58/661571758.db2.gz VJYZDIYSLZCVMD-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882632094 661572500 /nfs/dbraw/zinc/57/25/00/661572500.db2.gz QYNLXTSUMXEFKS-KRWDZBQOSA-N 2 1 354.495 -0.379 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882632094 661572498 /nfs/dbraw/zinc/57/24/98/661572498.db2.gz QYNLXTSUMXEFKS-KRWDZBQOSA-N 2 1 354.495 -0.379 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882632095 661572579 /nfs/dbraw/zinc/57/25/79/661572579.db2.gz QYNLXTSUMXEFKS-QGZVFWFLSA-N 2 1 354.495 -0.379 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882632095 661572578 /nfs/dbraw/zinc/57/25/78/661572578.db2.gz QYNLXTSUMXEFKS-QGZVFWFLSA-N 2 1 354.495 -0.379 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000883645205 661578984 /nfs/dbraw/zinc/57/89/84/661578984.db2.gz DHXLLAJWUSWGDO-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000883645289 661578883 /nfs/dbraw/zinc/57/88/83/661578883.db2.gz HCXMKXIRYQRKCK-MRXNPFEDSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000883645528 661579004 /nfs/dbraw/zinc/57/90/04/661579004.db2.gz NQMXUTDLSBEGPF-MRXNPFEDSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000883645972 661578999 /nfs/dbraw/zinc/57/89/99/661578999.db2.gz CKOFBKJUPHKXFG-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000883645973 661578887 /nfs/dbraw/zinc/57/88/87/661578887.db2.gz CKOFBKJUPHKXFG-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000883646120 661578971 /nfs/dbraw/zinc/57/89/71/661578971.db2.gz HQAXADSRSSQJKE-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000883646120 661578970 /nfs/dbraw/zinc/57/89/70/661578970.db2.gz HQAXADSRSSQJKE-MRXNPFEDSA-N 2 1 355.527 -0.071 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000883646214 661578828 /nfs/dbraw/zinc/57/88/28/661578828.db2.gz JULIEKGEEHCQDG-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000883646214 661578825 /nfs/dbraw/zinc/57/88/25/661578825.db2.gz JULIEKGEEHCQDG-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000883646215 661578963 /nfs/dbraw/zinc/57/89/63/661578963.db2.gz JULIEKGEEHCQDG-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000883646215 661578961 /nfs/dbraw/zinc/57/89/61/661578961.db2.gz JULIEKGEEHCQDG-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883657571 661579274 /nfs/dbraw/zinc/57/92/74/661579274.db2.gz GGSKEGDSRNKLGB-UHFFFAOYSA-N 2 1 352.479 -0.354 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@H+]1CCO ZINC000883659693 661579257 /nfs/dbraw/zinc/57/92/57/661579257.db2.gz PFBRORYVUQPZPS-UHFFFAOYSA-N 2 1 352.479 -0.354 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@@H+]1CCO ZINC000883659693 661579256 /nfs/dbraw/zinc/57/92/56/661579256.db2.gz PFBRORYVUQPZPS-UHFFFAOYSA-N 2 1 352.479 -0.354 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883769817 661580046 /nfs/dbraw/zinc/58/00/46/661580046.db2.gz CJWUXQDFFAOUCL-ZDUSSCGKSA-N 2 1 353.471 -0.700 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883769817 661580043 /nfs/dbraw/zinc/58/00/43/661580043.db2.gz CJWUXQDFFAOUCL-ZDUSSCGKSA-N 2 1 353.471 -0.700 20 0 FBADMP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884016322 661582505 /nfs/dbraw/zinc/58/25/05/661582505.db2.gz TUNBUMZHZJYHDN-CYBMUJFWSA-N 2 1 355.236 -0.003 20 0 FBADMP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884016323 661582359 /nfs/dbraw/zinc/58/23/59/661582359.db2.gz TUNBUMZHZJYHDN-ZDUSSCGKSA-N 2 1 355.236 -0.003 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000884361405 661589476 /nfs/dbraw/zinc/58/94/76/661589476.db2.gz RUGNCJPXBWNSPV-KFWWJZLASA-N 2 1 352.479 -0.058 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000884361406 661589434 /nfs/dbraw/zinc/58/94/34/661589434.db2.gz RUGNCJPXBWNSPV-RBSFLKMASA-N 2 1 352.479 -0.058 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000884361407 661589354 /nfs/dbraw/zinc/58/93/54/661589354.db2.gz RUGNCJPXBWNSPV-RRFJBIMHSA-N 2 1 352.479 -0.058 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000884361408 661589540 /nfs/dbraw/zinc/58/95/40/661589540.db2.gz RUGNCJPXBWNSPV-ZNMIVQPWSA-N 2 1 352.479 -0.058 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507368 661590616 /nfs/dbraw/zinc/59/06/16/661590616.db2.gz BEBCOFZCQNTLDK-CABCVRRESA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507369 661590527 /nfs/dbraw/zinc/59/05/27/661590527.db2.gz BEBCOFZCQNTLDK-GJZGRUSLSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507370 661590520 /nfs/dbraw/zinc/59/05/20/661590520.db2.gz BEBCOFZCQNTLDK-HUUCEWRRSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507371 661590644 /nfs/dbraw/zinc/59/06/44/661590644.db2.gz BEBCOFZCQNTLDK-LSDHHAIUSA-N 2 1 351.495 -0.519 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1(C)C ZINC000884507393 661590561 /nfs/dbraw/zinc/59/05/61/661590561.db2.gz BRAMTFSJCZOIGT-KBXCAEBGSA-N 2 1 351.495 -0.804 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000884507690 661590656 /nfs/dbraw/zinc/59/06/56/661590656.db2.gz KCEVBIBNEPWFJG-SHTZXODSSA-N 2 1 353.511 -0.238 20 0 FBADMP CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000884507849 661590956 /nfs/dbraw/zinc/59/09/56/661590956.db2.gz ODMUGBLFXJJLFM-UHFFFAOYSA-N 2 1 353.511 -0.142 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000884508265 661590848 /nfs/dbraw/zinc/59/08/48/661590848.db2.gz ZBDKJMNBLUNLGS-OAHLLOKOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1(C)C ZINC000884508281 661590861 /nfs/dbraw/zinc/59/08/61/661590861.db2.gz ZKNOJCHCZBQRMB-HNNXBMFYSA-N 2 1 353.511 -0.142 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884508282 661590924 /nfs/dbraw/zinc/59/09/24/661590924.db2.gz ZKNOJCHCZBQRMB-OAHLLOKOSA-N 2 1 353.511 -0.142 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884516107 661590814 /nfs/dbraw/zinc/59/08/14/661590814.db2.gz BGWRBKWXYWWOQL-SHTZXODSSA-N 2 1 353.511 -0.238 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884516312 661590983 /nfs/dbraw/zinc/59/09/83/661590983.db2.gz HPGDWYMUOYYSBK-CVEARBPZSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884516313 661590873 /nfs/dbraw/zinc/59/08/73/661590873.db2.gz HPGDWYMUOYYSBK-HOTGVXAUSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884516314 661590911 /nfs/dbraw/zinc/59/09/11/661590911.db2.gz HPGDWYMUOYYSBK-HZPDHXFCSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884516315 661590962 /nfs/dbraw/zinc/59/09/62/661590962.db2.gz HPGDWYMUOYYSBK-JKSUJKDBSA-N 2 1 351.495 -0.519 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884516650 661590772 /nfs/dbraw/zinc/59/07/72/661590772.db2.gz QAGVIDFNEOSTDG-KBXCAEBGSA-N 2 1 351.495 -0.804 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884516967 661590802 /nfs/dbraw/zinc/59/08/02/661590802.db2.gz ZEWITSTVZIRMAF-HNNXBMFYSA-N 2 1 353.511 -0.142 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884516968 661590969 /nfs/dbraw/zinc/59/09/69/661590969.db2.gz ZEWITSTVZIRMAF-OAHLLOKOSA-N 2 1 353.511 -0.142 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000884517019 661590785 /nfs/dbraw/zinc/59/07/85/661590785.db2.gz ASDKUOIOEJSSKM-MRXNPFEDSA-N 2 1 353.511 -0.271 20 0 FBADMP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000884517688 661590899 /nfs/dbraw/zinc/59/08/99/661590899.db2.gz UMMLPGXCMKPSPU-UHFFFAOYSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCOCC1 ZINC000884544292 661591359 /nfs/dbraw/zinc/59/13/59/661591359.db2.gz CCZIVQFGPMKMQC-JONQDZQNSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCOCC1 ZINC000884544293 661591194 /nfs/dbraw/zinc/59/11/94/661591194.db2.gz CCZIVQFGPMKMQC-LVQVYYBASA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C[NH+]1CCOCC1 ZINC000884544371 661591349 /nfs/dbraw/zinc/59/13/49/661591349.db2.gz FDWYCTWKOBEMML-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C[NH+]1CCOCC1 ZINC000884544372 661591292 /nfs/dbraw/zinc/59/12/92/661591292.db2.gz FDWYCTWKOBEMML-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000884544470 661591367 /nfs/dbraw/zinc/59/13/67/661591367.db2.gz HBSOGYDZYLCLLY-CABCVRRESA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000884544471 661591199 /nfs/dbraw/zinc/59/11/99/661591199.db2.gz HBSOGYDZYLCLLY-GJZGRUSLSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000884544472 661591151 /nfs/dbraw/zinc/59/11/51/661591151.db2.gz HBSOGYDZYLCLLY-HUUCEWRRSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000884544473 661591305 /nfs/dbraw/zinc/59/13/05/661591305.db2.gz HBSOGYDZYLCLLY-LSDHHAIUSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCOCC1 ZINC000884544831 661591163 /nfs/dbraw/zinc/59/11/63/661591163.db2.gz QWFLHPPUWQYEDN-CHWSQXEVSA-N 2 1 362.421 -0.568 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCOCC1 ZINC000884544832 661591204 /nfs/dbraw/zinc/59/12/04/661591204.db2.gz QWFLHPPUWQYEDN-OLZOCXBDSA-N 2 1 362.421 -0.568 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCOCC1 ZINC000884544833 661591341 /nfs/dbraw/zinc/59/13/41/661591341.db2.gz QWFLHPPUWQYEDN-QWHCGFSZSA-N 2 1 362.421 -0.568 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCOCC1 ZINC000884544834 661591318 /nfs/dbraw/zinc/59/13/18/661591318.db2.gz QWFLHPPUWQYEDN-STQMWFEESA-N 2 1 362.421 -0.568 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000884544990 661591171 /nfs/dbraw/zinc/59/11/71/661591171.db2.gz WAIUDMGRPWPHGM-CABCVRRESA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000884544991 661591272 /nfs/dbraw/zinc/59/12/72/661591272.db2.gz WAIUDMGRPWPHGM-GJZGRUSLSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000884544992 661591329 /nfs/dbraw/zinc/59/13/29/661591329.db2.gz WAIUDMGRPWPHGM-HUUCEWRRSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000884544993 661591224 /nfs/dbraw/zinc/59/12/24/661591224.db2.gz WAIUDMGRPWPHGM-LSDHHAIUSA-N 2 1 354.495 -0.035 20 0 FBADMP CN(CCCCCC[NH3+])C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884559036 661591665 /nfs/dbraw/zinc/59/16/65/661591665.db2.gz KOSVETMXTUEXLI-UHFFFAOYSA-N 2 1 355.483 -0.756 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559702 661591671 /nfs/dbraw/zinc/59/16/71/661591671.db2.gz BNFOHOAHZKHKBE-FRRDWIJNSA-N 2 1 360.405 -0.673 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559703 661591566 /nfs/dbraw/zinc/59/15/66/661591566.db2.gz BNFOHOAHZKHKBE-JHJVBQTASA-N 2 1 360.405 -0.673 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559704 661591584 /nfs/dbraw/zinc/59/15/84/661591584.db2.gz BNFOHOAHZKHKBE-RWMBFGLXSA-N 2 1 360.405 -0.673 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559705 661591657 /nfs/dbraw/zinc/59/16/57/661591657.db2.gz BNFOHOAHZKHKBE-YNEHKIRRSA-N 2 1 360.405 -0.673 20 0 FBADMP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559756 661591508 /nfs/dbraw/zinc/59/15/08/661591508.db2.gz DARQGKJNMZUMNB-ILXRZTDVSA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559757 661591629 /nfs/dbraw/zinc/59/16/29/661591629.db2.gz DARQGKJNMZUMNB-KFWWJZLASA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559758 661591590 /nfs/dbraw/zinc/59/15/90/661591590.db2.gz DARQGKJNMZUMNB-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559759 661591641 /nfs/dbraw/zinc/59/16/41/661591641.db2.gz DARQGKJNMZUMNB-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559912 661591575 /nfs/dbraw/zinc/59/15/75/661591575.db2.gz IUFCCFONKQFZSP-CABCVRRESA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559913 661591679 /nfs/dbraw/zinc/59/16/79/661591679.db2.gz IUFCCFONKQFZSP-GJZGRUSLSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559914 661591653 /nfs/dbraw/zinc/59/16/53/661591653.db2.gz IUFCCFONKQFZSP-HUUCEWRRSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559915 661591580 /nfs/dbraw/zinc/59/15/80/661591580.db2.gz IUFCCFONKQFZSP-LSDHHAIUSA-N 2 1 350.463 -0.290 20 0 FBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884559995 661591597 /nfs/dbraw/zinc/59/15/97/661591597.db2.gz KVFWILVZCJZKGK-KKUMJFAQSA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884559996 661591546 /nfs/dbraw/zinc/59/15/46/661591546.db2.gz KVFWILVZCJZKGK-RRFJBIMHSA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884559997 661591607 /nfs/dbraw/zinc/59/16/07/661591607.db2.gz KVFWILVZCJZKGK-SOUVJXGZSA-N 2 1 352.479 -0.140 20 0 FBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884559998 661591559 /nfs/dbraw/zinc/59/15/59/661591559.db2.gz KVFWILVZCJZKGK-ZNMIVQPWSA-N 2 1 352.479 -0.140 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884560483 661591523 /nfs/dbraw/zinc/59/15/23/661591523.db2.gz YQUDMKWNRDSJAX-JKJDWNRSSA-N 2 1 350.463 -0.387 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884560484 661591532 /nfs/dbraw/zinc/59/15/32/661591532.db2.gz YQUDMKWNRDSJAX-QRJUGERDSA-N 2 1 350.463 -0.387 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884560485 661591621 /nfs/dbraw/zinc/59/16/21/661591621.db2.gz YQUDMKWNRDSJAX-XFIYOXNOSA-N 2 1 350.463 -0.387 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884560486 661591923 /nfs/dbraw/zinc/59/19/23/661591923.db2.gz YQUDMKWNRDSJAX-YIDVYQOGSA-N 2 1 350.463 -0.387 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884562494 661591841 /nfs/dbraw/zinc/59/18/41/661591841.db2.gz BUAPPJMSKXRBLB-GHMZBOCLSA-N 2 1 354.373 -0.724 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884562495 661591913 /nfs/dbraw/zinc/59/19/13/661591913.db2.gz BUAPPJMSKXRBLB-MNOVXSKESA-N 2 1 354.373 -0.724 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884562496 661591937 /nfs/dbraw/zinc/59/19/37/661591937.db2.gz BUAPPJMSKXRBLB-QWRGUYRKSA-N 2 1 354.373 -0.724 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884562497 661591890 /nfs/dbraw/zinc/59/18/90/661591890.db2.gz BUAPPJMSKXRBLB-WDEREUQCSA-N 2 1 354.373 -0.724 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571447 661591904 /nfs/dbraw/zinc/59/19/04/661591904.db2.gz PVIYMAWMNKIKIW-BJDJZHNGSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571447 661591903 /nfs/dbraw/zinc/59/19/03/661591903.db2.gz PVIYMAWMNKIKIW-BJDJZHNGSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571448 661591875 /nfs/dbraw/zinc/59/18/75/661591875.db2.gz PVIYMAWMNKIKIW-FIQHERPVSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571448 661591872 /nfs/dbraw/zinc/59/18/72/661591872.db2.gz PVIYMAWMNKIKIW-FIQHERPVSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571449 661591952 /nfs/dbraw/zinc/59/19/52/661591952.db2.gz PVIYMAWMNKIKIW-NNYUYHANSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571449 661591950 /nfs/dbraw/zinc/59/19/50/661591950.db2.gz PVIYMAWMNKIKIW-NNYUYHANSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571450 661591959 /nfs/dbraw/zinc/59/19/59/661591959.db2.gz PVIYMAWMNKIKIW-YFKTTZPYSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571450 661591956 /nfs/dbraw/zinc/59/19/56/661591956.db2.gz PVIYMAWMNKIKIW-YFKTTZPYSA-N 2 1 366.384 -0.583 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571775 661591934 /nfs/dbraw/zinc/59/19/34/661591934.db2.gz XVDVEXWZPSGVOY-DAYGRLMNSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571775 661591932 /nfs/dbraw/zinc/59/19/32/661591932.db2.gz XVDVEXWZPSGVOY-DAYGRLMNSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571776 661591919 /nfs/dbraw/zinc/59/19/19/661591919.db2.gz XVDVEXWZPSGVOY-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571776 661591918 /nfs/dbraw/zinc/59/19/18/661591918.db2.gz XVDVEXWZPSGVOY-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571777 661591860 /nfs/dbraw/zinc/59/18/60/661591860.db2.gz XVDVEXWZPSGVOY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571777 661591857 /nfs/dbraw/zinc/59/18/57/661591857.db2.gz XVDVEXWZPSGVOY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571778 661591945 /nfs/dbraw/zinc/59/19/45/661591945.db2.gz XVDVEXWZPSGVOY-RLFYNMQTSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571778 661591943 /nfs/dbraw/zinc/59/19/43/661591943.db2.gz XVDVEXWZPSGVOY-RLFYNMQTSA-N 2 1 352.479 -0.186 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884587193 661592208 /nfs/dbraw/zinc/59/22/08/661592208.db2.gz CFYZRGMXPPXEBC-NEPJUHHUSA-N 2 1 368.400 -0.334 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587194 661592245 /nfs/dbraw/zinc/59/22/45/661592245.db2.gz CFYZRGMXPPXEBC-NWDGAFQWSA-N 2 1 368.400 -0.334 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884587195 661592105 /nfs/dbraw/zinc/59/21/05/661592105.db2.gz CFYZRGMXPPXEBC-RYUDHWBXSA-N 2 1 368.400 -0.334 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587196 661592180 /nfs/dbraw/zinc/59/21/80/661592180.db2.gz CFYZRGMXPPXEBC-VXGBXAGGSA-N 2 1 368.400 -0.334 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884587302 661592119 /nfs/dbraw/zinc/59/21/19/661592119.db2.gz GDSGXUXYKGBIIM-GFCCVEGCSA-N 2 1 350.410 -0.568 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884587303 661592249 /nfs/dbraw/zinc/59/22/49/661592249.db2.gz GDSGXUXYKGBIIM-LBPRGKRZSA-N 2 1 350.410 -0.568 20 0 FBADMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884597615 661592267 /nfs/dbraw/zinc/59/22/67/661592267.db2.gz FLDSRAVCENNIML-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884597616 661592252 /nfs/dbraw/zinc/59/22/52/661592252.db2.gz FLDSRAVCENNIML-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884597854 661592391 /nfs/dbraw/zinc/59/23/91/661592391.db2.gz MFIRYVFYHQPESI-INIZCTEOSA-N 2 1 353.511 -0.140 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884597855 661592638 /nfs/dbraw/zinc/59/26/38/661592638.db2.gz MFIRYVFYHQPESI-MRXNPFEDSA-N 2 1 353.511 -0.140 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884597970 661592712 /nfs/dbraw/zinc/59/27/12/661592712.db2.gz PTYWPHXRIBNIFC-MAUKXSAKSA-N 2 1 351.495 -0.802 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000884598011 661592695 /nfs/dbraw/zinc/59/26/95/661592695.db2.gz QQPYWSKKEWMMLP-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884598064 661592444 /nfs/dbraw/zinc/59/24/44/661592444.db2.gz RWPGMZJLWYXZFM-INIZCTEOSA-N 2 1 353.511 -0.140 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884598065 661592594 /nfs/dbraw/zinc/59/25/94/661592594.db2.gz RWPGMZJLWYXZFM-MRXNPFEDSA-N 2 1 353.511 -0.140 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884598352 661592425 /nfs/dbraw/zinc/59/24/25/661592425.db2.gz YXXNLOYITRPBBQ-IYBDPMFKSA-N 2 1 351.495 -0.517 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000884601706 661592519 /nfs/dbraw/zinc/59/25/19/661592519.db2.gz STYWQONTSXZVKQ-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000884601707 661592736 /nfs/dbraw/zinc/59/27/36/661592736.db2.gz STYWQONTSXZVKQ-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884603410 661592744 /nfs/dbraw/zinc/59/27/44/661592744.db2.gz IZDCLXPTQRYQMN-FZKCQIBNSA-N 2 1 352.479 -0.140 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884603411 661592490 /nfs/dbraw/zinc/59/24/90/661592490.db2.gz IZDCLXPTQRYQMN-QKPAOTATSA-N 2 1 352.479 -0.140 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884603484 661592666 /nfs/dbraw/zinc/59/26/66/661592666.db2.gz KSOSBEFFCUUPAA-CHWSQXEVSA-N 2 1 362.421 -0.426 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884603485 661592547 /nfs/dbraw/zinc/59/25/47/661592547.db2.gz KSOSBEFFCUUPAA-OLZOCXBDSA-N 2 1 362.421 -0.426 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884603486 661592472 /nfs/dbraw/zinc/59/24/72/661592472.db2.gz KSOSBEFFCUUPAA-QWHCGFSZSA-N 2 1 362.421 -0.426 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884603487 661592562 /nfs/dbraw/zinc/59/25/62/661592562.db2.gz KSOSBEFFCUUPAA-STQMWFEESA-N 2 1 362.421 -0.426 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884603736 661592603 /nfs/dbraw/zinc/59/26/03/661592603.db2.gz PXKDIGNUBLKNMA-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884603737 661592451 /nfs/dbraw/zinc/59/24/51/661592451.db2.gz PXKDIGNUBLKNMA-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+](C)C1CC1 ZINC000884617229 661592875 /nfs/dbraw/zinc/59/28/75/661592875.db2.gz KAGDISPEVDBMIT-DZGCQCFKSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+](C)C1CC1 ZINC000884617230 661592905 /nfs/dbraw/zinc/59/29/05/661592905.db2.gz KAGDISPEVDBMIT-HIFRSBDPSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+](C)C1CC1 ZINC000884617231 661592983 /nfs/dbraw/zinc/59/29/83/661592983.db2.gz KAGDISPEVDBMIT-UKRRQHHQSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+](C)C1CC1 ZINC000884617232 661592940 /nfs/dbraw/zinc/59/29/40/661592940.db2.gz KAGDISPEVDBMIT-ZFWWWQNUSA-N 2 1 352.479 -0.140 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884637086 661593005 /nfs/dbraw/zinc/59/30/05/661593005.db2.gz ACFGSQLCMHZDPI-GFCCVEGCSA-N 2 1 350.410 -0.568 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884637087 661592883 /nfs/dbraw/zinc/59/28/83/661592883.db2.gz ACFGSQLCMHZDPI-LBPRGKRZSA-N 2 1 350.410 -0.568 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884637326 661592829 /nfs/dbraw/zinc/59/28/29/661592829.db2.gz JOCKTSDYNPIRKR-NEPJUHHUSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884637327 661592958 /nfs/dbraw/zinc/59/29/58/661592958.db2.gz JOCKTSDYNPIRKR-NWDGAFQWSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884637328 661592919 /nfs/dbraw/zinc/59/29/19/661592919.db2.gz JOCKTSDYNPIRKR-RYUDHWBXSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884637329 661592967 /nfs/dbraw/zinc/59/29/67/661592967.db2.gz JOCKTSDYNPIRKR-VXGBXAGGSA-N 2 1 368.400 -0.334 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884642507 661593267 /nfs/dbraw/zinc/59/32/67/661593267.db2.gz KTKUSVFDRPCVSJ-CRAIPNDOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884642508 661593281 /nfs/dbraw/zinc/59/32/81/661593281.db2.gz KTKUSVFDRPCVSJ-MAUKXSAKSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884642509 661593244 /nfs/dbraw/zinc/59/32/44/661593244.db2.gz KTKUSVFDRPCVSJ-QAPCUYQASA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884642510 661593262 /nfs/dbraw/zinc/59/32/62/661593262.db2.gz KTKUSVFDRPCVSJ-YJBOKZPZSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884642803 661593277 /nfs/dbraw/zinc/59/32/77/661593277.db2.gz QZBXYCJPUJRHLH-GRYCIOLGSA-N 2 1 366.384 -0.581 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884642804 661593435 /nfs/dbraw/zinc/59/34/35/661593435.db2.gz QZBXYCJPUJRHLH-SDDRHHMPSA-N 2 1 366.384 -0.581 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884642805 661593533 /nfs/dbraw/zinc/59/35/33/661593533.db2.gz QZBXYCJPUJRHLH-SRVKXCTJSA-N 2 1 366.384 -0.581 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884642806 661593567 /nfs/dbraw/zinc/59/35/67/661593567.db2.gz QZBXYCJPUJRHLH-WOPDTQHZSA-N 2 1 366.384 -0.581 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000884652300 661593423 /nfs/dbraw/zinc/59/34/23/661593423.db2.gz PAVGWNCCSXGMFV-NEPJUHHUSA-N 2 1 366.384 -0.580 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000884652301 661593522 /nfs/dbraw/zinc/59/35/22/661593522.db2.gz PAVGWNCCSXGMFV-NWDGAFQWSA-N 2 1 366.384 -0.580 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000884652302 661593558 /nfs/dbraw/zinc/59/35/58/661593558.db2.gz PAVGWNCCSXGMFV-RYUDHWBXSA-N 2 1 366.384 -0.580 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000884652303 661593513 /nfs/dbraw/zinc/59/35/13/661593513.db2.gz PAVGWNCCSXGMFV-VXGBXAGGSA-N 2 1 366.384 -0.580 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884652367 661593496 /nfs/dbraw/zinc/59/34/96/661593496.db2.gz RLZANQNVPGOJIP-GOSISDBHSA-N 2 1 352.479 -0.183 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884652368 661593545 /nfs/dbraw/zinc/59/35/45/661593545.db2.gz RLZANQNVPGOJIP-SFHVURJKSA-N 2 1 352.479 -0.183 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CN1CC[NH+](C)CC1 ZINC000884669896 661593815 /nfs/dbraw/zinc/59/38/15/661593815.db2.gz JTOIJYIUZANYAD-BZUAXINKSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000884669897 661593873 /nfs/dbraw/zinc/59/38/73/661593873.db2.gz JTOIJYIUZANYAD-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CN1CC[NH+](C)CC1 ZINC000884669898 661593741 /nfs/dbraw/zinc/59/37/41/661593741.db2.gz JTOIJYIUZANYAD-OWCLPIDISA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000884669899 661593860 /nfs/dbraw/zinc/59/38/60/661593860.db2.gz JTOIJYIUZANYAD-PMPSAXMXSA-N 2 1 351.495 -0.661 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000884669925 661593897 /nfs/dbraw/zinc/59/38/97/661593897.db2.gz KICIMAMJHRZYIF-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000884669926 661593829 /nfs/dbraw/zinc/59/38/29/661593829.db2.gz KICIMAMJHRZYIF-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670009 661593803 /nfs/dbraw/zinc/59/38/03/661593803.db2.gz MRUFEETWMMPRIK-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670010 661593800 /nfs/dbraw/zinc/59/38/00/661593800.db2.gz MRUFEETWMMPRIK-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670011 661593824 /nfs/dbraw/zinc/59/38/24/661593824.db2.gz MRUFEETWMMPRIK-HZPDHXFCSA-N 2 1 353.511 -0.413 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670012 661593890 /nfs/dbraw/zinc/59/38/90/661593890.db2.gz MRUFEETWMMPRIK-JKSUJKDBSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000884670056 661593809 /nfs/dbraw/zinc/59/38/09/661593809.db2.gz OFIYARDXDDKFMS-CVEARBPZSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000884670057 661593884 /nfs/dbraw/zinc/59/38/84/661593884.db2.gz OFIYARDXDDKFMS-HOTGVXAUSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000884670058 661593785 /nfs/dbraw/zinc/59/37/85/661593785.db2.gz OFIYARDXDDKFMS-HZPDHXFCSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000884670059 661593845 /nfs/dbraw/zinc/59/38/45/661593845.db2.gz OFIYARDXDDKFMS-JKSUJKDBSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CC[NH+](C)CC1 ZINC000884670083 661593793 /nfs/dbraw/zinc/59/37/93/661593793.db2.gz ORGSWYNQHSRODB-RLFYNMQTSA-N 2 1 351.495 -0.946 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CC[NH+](C)CC1 ZINC000884670084 661593772 /nfs/dbraw/zinc/59/37/72/661593772.db2.gz ORGSWYNQHSRODB-RVKKMQEKSA-N 2 1 351.495 -0.946 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670201 661593850 /nfs/dbraw/zinc/59/38/50/661593850.db2.gz RFDZTIUAZAVROW-HRCADAONSA-N 2 1 351.495 -0.661 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670202 661593908 /nfs/dbraw/zinc/59/39/08/661593908.db2.gz RFDZTIUAZAVROW-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000884670218 661593834 /nfs/dbraw/zinc/59/38/34/661593834.db2.gz RPDUVBXEJHREPR-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000884670219 661593763 /nfs/dbraw/zinc/59/37/63/661593763.db2.gz RPDUVBXEJHREPR-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884670237 661593868 /nfs/dbraw/zinc/59/38/68/661593868.db2.gz SRIJWXIFXTYLOS-BZUAXINKSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000884670379 661594132 /nfs/dbraw/zinc/59/41/32/661594132.db2.gz XYFUZJSHUOJQAV-BZUAXINKSA-N 2 1 353.511 -0.380 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000884670380 661594109 /nfs/dbraw/zinc/59/41/09/661594109.db2.gz XYFUZJSHUOJQAV-JYJNAYRXSA-N 2 1 353.511 -0.380 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787152 661595928 /nfs/dbraw/zinc/59/59/28/661595928.db2.gz ISXWTYSHOFFVMP-CABCVRRESA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787153 661596060 /nfs/dbraw/zinc/59/60/60/661596060.db2.gz ISXWTYSHOFFVMP-GJZGRUSLSA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787154 661596091 /nfs/dbraw/zinc/59/60/91/661596091.db2.gz ISXWTYSHOFFVMP-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787155 661595899 /nfs/dbraw/zinc/59/58/99/661595899.db2.gz ISXWTYSHOFFVMP-LSDHHAIUSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884787235 661595960 /nfs/dbraw/zinc/59/59/60/661595960.db2.gz LNMYCNGMUHXURZ-BYNSBNAKSA-N 2 1 350.463 -0.306 20 0 FBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884787236 661596043 /nfs/dbraw/zinc/59/60/43/661596043.db2.gz LNMYCNGMUHXURZ-GBJTYRQASA-N 2 1 350.463 -0.306 20 0 FBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884787237 661596117 /nfs/dbraw/zinc/59/61/17/661596117.db2.gz LNMYCNGMUHXURZ-KBUPBQIOSA-N 2 1 350.463 -0.306 20 0 FBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884787238 661595878 /nfs/dbraw/zinc/59/58/78/661595878.db2.gz LNMYCNGMUHXURZ-LXTVHRRPSA-N 2 1 350.463 -0.306 20 0 FBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884787269 661595922 /nfs/dbraw/zinc/59/59/22/661595922.db2.gz MHDZMVFZYFOHIN-ZIAGYGMSSA-N 2 1 352.479 -0.010 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884880834 661597388 /nfs/dbraw/zinc/59/73/88/661597388.db2.gz ZFPPLPPOTUBWEO-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884880836 661597354 /nfs/dbraw/zinc/59/73/54/661597354.db2.gz ZFPPLPPOTUBWEO-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000884913063 661597715 /nfs/dbraw/zinc/59/77/15/661597715.db2.gz LKCGMDGDJNXTJI-SHTZXODSSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000884917475 661597759 /nfs/dbraw/zinc/59/77/59/661597759.db2.gz GMHXHSDZUYOMCB-KKUMJFAQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000884917475 661597757 /nfs/dbraw/zinc/59/77/57/661597757.db2.gz GMHXHSDZUYOMCB-KKUMJFAQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000884917476 661597721 /nfs/dbraw/zinc/59/77/21/661597721.db2.gz GMHXHSDZUYOMCB-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000884917476 661597720 /nfs/dbraw/zinc/59/77/20/661597720.db2.gz GMHXHSDZUYOMCB-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884918947 661597741 /nfs/dbraw/zinc/59/77/41/661597741.db2.gz IVVGIHYIFMRZQB-KKUMJFAQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884918947 661597739 /nfs/dbraw/zinc/59/77/39/661597739.db2.gz IVVGIHYIFMRZQB-KKUMJFAQSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884918948 661597627 /nfs/dbraw/zinc/59/76/27/661597627.db2.gz IVVGIHYIFMRZQB-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884918948 661597624 /nfs/dbraw/zinc/59/76/24/661597624.db2.gz IVVGIHYIFMRZQB-RBSFLKMASA-N 2 1 354.495 -0.076 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000884922690 661597724 /nfs/dbraw/zinc/59/77/24/661597724.db2.gz CAIQRKKJSVEBIG-BZUAXINKSA-N 2 1 352.479 -0.199 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000884922691 661597579 /nfs/dbraw/zinc/59/75/79/661597579.db2.gz CAIQRKKJSVEBIG-JYJNAYRXSA-N 2 1 352.479 -0.199 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884923526 661597685 /nfs/dbraw/zinc/59/76/85/661597685.db2.gz PZELRZJRSHJSDC-SHTZXODSSA-N 2 1 354.495 -0.075 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884970417 661598361 /nfs/dbraw/zinc/59/83/61/661598361.db2.gz IIVUCAVHOYUTRH-AWEZNQCLSA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884970418 661598309 /nfs/dbraw/zinc/59/83/09/661598309.db2.gz IIVUCAVHOYUTRH-CQSZACIVSA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885010722 661598570 /nfs/dbraw/zinc/59/85/70/661598570.db2.gz SDGSIQRBJKSRNY-QDMKHBRRSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000885136449 661599194 /nfs/dbraw/zinc/59/91/94/661599194.db2.gz SYIFVVCKIFXSPC-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000885136449 661599192 /nfs/dbraw/zinc/59/91/92/661599192.db2.gz SYIFVVCKIFXSPC-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000885136450 661599206 /nfs/dbraw/zinc/59/92/06/661599206.db2.gz SYIFVVCKIFXSPC-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000885136450 661599204 /nfs/dbraw/zinc/59/92/04/661599204.db2.gz SYIFVVCKIFXSPC-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138284 661599491 /nfs/dbraw/zinc/59/94/91/661599491.db2.gz VIKVHJOETNUORR-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138285 661599619 /nfs/dbraw/zinc/59/96/19/661599619.db2.gz VIKVHJOETNUORR-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138286 661599568 /nfs/dbraw/zinc/59/95/68/661599568.db2.gz VIKVHJOETNUORR-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138287 661599447 /nfs/dbraw/zinc/59/94/47/661599447.db2.gz VIKVHJOETNUORR-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140714 661599461 /nfs/dbraw/zinc/59/94/61/661599461.db2.gz XDTNGBGVBUFGGS-HNNXBMFYSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140715 661599522 /nfs/dbraw/zinc/59/95/22/661599522.db2.gz XDTNGBGVBUFGGS-OAHLLOKOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140970 661599593 /nfs/dbraw/zinc/59/95/93/661599593.db2.gz DNCQGYYJKUCRPO-CABCVRRESA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140971 661599511 /nfs/dbraw/zinc/59/95/11/661599511.db2.gz DNCQGYYJKUCRPO-GJZGRUSLSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140972 661599470 /nfs/dbraw/zinc/59/94/70/661599470.db2.gz DNCQGYYJKUCRPO-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140973 661599532 /nfs/dbraw/zinc/59/95/32/661599532.db2.gz DNCQGYYJKUCRPO-LSDHHAIUSA-N 2 1 352.479 -0.138 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144237 661599896 /nfs/dbraw/zinc/59/98/96/661599896.db2.gz CRAQIVNTQOFUEV-AWEZNQCLSA-N 2 1 370.519 -0.574 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144238 661599947 /nfs/dbraw/zinc/59/99/47/661599947.db2.gz CRAQIVNTQOFUEV-CQSZACIVSA-N 2 1 370.519 -0.574 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885149880 661599783 /nfs/dbraw/zinc/59/97/83/661599783.db2.gz DPILJKLBOSNIJI-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885149881 661599979 /nfs/dbraw/zinc/59/99/79/661599979.db2.gz DPILJKLBOSNIJI-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000885195830 661600305 /nfs/dbraw/zinc/60/03/05/661600305.db2.gz PXBKURIHBMGIBE-HNNXBMFYSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000885195830 661600302 /nfs/dbraw/zinc/60/03/02/661600302.db2.gz PXBKURIHBMGIBE-HNNXBMFYSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000885195834 661600238 /nfs/dbraw/zinc/60/02/38/661600238.db2.gz PXBKURIHBMGIBE-OAHLLOKOSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000885195834 661600235 /nfs/dbraw/zinc/60/02/35/661600235.db2.gz PXBKURIHBMGIBE-OAHLLOKOSA-N 2 1 353.511 -0.143 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885285006 661600839 /nfs/dbraw/zinc/60/08/39/661600839.db2.gz LBHWCXHMYAKABR-LLVKDONJSA-N 2 1 350.435 -0.488 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885285007 661600918 /nfs/dbraw/zinc/60/09/18/661600918.db2.gz LBHWCXHMYAKABR-NSHDSACASA-N 2 1 350.435 -0.488 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285916 661600845 /nfs/dbraw/zinc/60/08/45/661600845.db2.gz UAFYOKSPSXBYSA-GFCCVEGCSA-N 2 1 362.421 -0.738 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285919 661600963 /nfs/dbraw/zinc/60/09/63/661600963.db2.gz UAFYOKSPSXBYSA-LBPRGKRZSA-N 2 1 362.421 -0.738 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000885870062 661604744 /nfs/dbraw/zinc/60/47/44/661604744.db2.gz YFMBONKZTHKGLE-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000885870063 661604920 /nfs/dbraw/zinc/60/49/20/661604920.db2.gz YFMBONKZTHKGLE-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000885870064 661604907 /nfs/dbraw/zinc/60/49/07/661604907.db2.gz YFMBONKZTHKGLE-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000885870065 661604774 /nfs/dbraw/zinc/60/47/74/661604774.db2.gz YFMBONKZTHKGLE-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)S(=O)(=O)C1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000886320888 661613052 /nfs/dbraw/zinc/61/30/52/661613052.db2.gz JDIFJDKEVNEVDS-UHFFFAOYSA-N 2 1 368.507 -0.258 20 0 FBADMP COC(=O)N[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](NC(=O)OC)C2)C1 ZINC000886856130 661616360 /nfs/dbraw/zinc/61/63/60/661616360.db2.gz HSQCVSSDKYJMQR-KBPBESRZSA-N 2 1 358.439 -0.136 20 0 FBADMP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067025 661618625 /nfs/dbraw/zinc/61/86/25/661618625.db2.gz YJRCTVLGHCILRY-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067025 661618623 /nfs/dbraw/zinc/61/86/23/661618623.db2.gz YJRCTVLGHCILRY-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887067026 661618571 /nfs/dbraw/zinc/61/85/71/661618571.db2.gz YJRCTVLGHCILRY-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887067026 661618568 /nfs/dbraw/zinc/61/85/68/661618568.db2.gz YJRCTVLGHCILRY-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068435 661618641 /nfs/dbraw/zinc/61/86/41/661618641.db2.gz LKLDGGLCJOGCJB-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000887068436 661618598 /nfs/dbraw/zinc/61/85/98/661618598.db2.gz LKLDGGLCJOGCJB-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068437 661618712 /nfs/dbraw/zinc/61/87/12/661618712.db2.gz LKLDGGLCJOGCJB-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000887068438 661618669 /nfs/dbraw/zinc/61/86/69/661618669.db2.gz LKLDGGLCJOGCJB-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000887083020 661619500 /nfs/dbraw/zinc/61/95/00/661619500.db2.gz NJXOUIZLOABASP-DAYGRLMNSA-N 2 1 350.463 -0.744 20 0 FBADMP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000887083021 661619338 /nfs/dbraw/zinc/61/93/38/661619338.db2.gz NJXOUIZLOABASP-HDMKZQKVSA-N 2 1 350.463 -0.744 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000888041504 661623390 /nfs/dbraw/zinc/62/33/90/661623390.db2.gz ILDOVVYJKVHGSP-FPCVCCKLSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000888041504 661623387 /nfs/dbraw/zinc/62/33/87/661623387.db2.gz ILDOVVYJKVHGSP-FPCVCCKLSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000888041504 661623385 /nfs/dbraw/zinc/62/33/85/661623385.db2.gz ILDOVVYJKVHGSP-FPCVCCKLSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000888041505 661623463 /nfs/dbraw/zinc/62/34/63/661623463.db2.gz ILDOVVYJKVHGSP-GEEKYZPCSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000888041505 661623462 /nfs/dbraw/zinc/62/34/62/661623462.db2.gz ILDOVVYJKVHGSP-GEEKYZPCSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000888041505 661623461 /nfs/dbraw/zinc/62/34/61/661623461.db2.gz ILDOVVYJKVHGSP-GEEKYZPCSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000888041506 661623433 /nfs/dbraw/zinc/62/34/33/661623433.db2.gz ILDOVVYJKVHGSP-SYMSYNOKSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000888041506 661623432 /nfs/dbraw/zinc/62/34/32/661623432.db2.gz ILDOVVYJKVHGSP-SYMSYNOKSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000888041506 661623431 /nfs/dbraw/zinc/62/34/31/661623431.db2.gz ILDOVVYJKVHGSP-SYMSYNOKSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000888041507 661623301 /nfs/dbraw/zinc/62/33/01/661623301.db2.gz ILDOVVYJKVHGSP-YHUYYLMFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000888041507 661623296 /nfs/dbraw/zinc/62/32/96/661623296.db2.gz ILDOVVYJKVHGSP-YHUYYLMFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000888041507 661623292 /nfs/dbraw/zinc/62/32/92/661623292.db2.gz ILDOVVYJKVHGSP-YHUYYLMFSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[NH+](CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@@H+](CC)C1CC1)C1CC1 ZINC000888042014 661623447 /nfs/dbraw/zinc/62/34/47/661623447.db2.gz PAHXRPHIYRYXEA-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+](CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@H+](CC)C1CC1)C1CC1 ZINC000888042014 661623446 /nfs/dbraw/zinc/62/34/46/661623446.db2.gz PAHXRPHIYRYXEA-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+](CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@H+](CC)C1CC1)C1CC1 ZINC000888042014 661623445 /nfs/dbraw/zinc/62/34/45/661623445.db2.gz PAHXRPHIYRYXEA-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000888042024 661623339 /nfs/dbraw/zinc/62/33/39/661623339.db2.gz PBCVGNUGHSQWQF-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000888042024 661623337 /nfs/dbraw/zinc/62/33/37/661623337.db2.gz PBCVGNUGHSQWQF-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000888042024 661623332 /nfs/dbraw/zinc/62/33/32/661623332.db2.gz PBCVGNUGHSQWQF-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000888042803 661623455 /nfs/dbraw/zinc/62/34/55/661623455.db2.gz ZMUBQXVOBIAOIU-SJJUBHFPSA-N 2 1 352.479 -0.333 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000888042803 661623454 /nfs/dbraw/zinc/62/34/54/661623454.db2.gz ZMUBQXVOBIAOIU-SJJUBHFPSA-N 2 1 352.479 -0.333 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000888042803 661623453 /nfs/dbraw/zinc/62/34/53/661623453.db2.gz ZMUBQXVOBIAOIU-SJJUBHFPSA-N 2 1 352.479 -0.333 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000889771276 661625164 /nfs/dbraw/zinc/62/51/64/661625164.db2.gz ZELDIJUYKPFJQP-BZUAXINKSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000889771277 661625350 /nfs/dbraw/zinc/62/53/50/661625350.db2.gz ZELDIJUYKPFJQP-OAGGEKHMSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000889771278 661625127 /nfs/dbraw/zinc/62/51/27/661625127.db2.gz ZELDIJUYKPFJQP-OWCLPIDISA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000889771279 661625207 /nfs/dbraw/zinc/62/52/07/661625207.db2.gz ZELDIJUYKPFJQP-PMPSAXMXSA-N 2 1 352.479 -0.546 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493665 657446661 /nfs/dbraw/zinc/44/66/61/657446661.db2.gz XSGSYYLTZFWFTE-MCIONIFRSA-N 2 1 355.439 -0.859 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493666 657446733 /nfs/dbraw/zinc/44/67/33/657446733.db2.gz XSGSYYLTZFWFTE-MJBXVCDLSA-N 2 1 355.439 -0.859 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891544765 657448520 /nfs/dbraw/zinc/44/85/20/657448520.db2.gz DPDGMDYKSOPGJT-MCIONIFRSA-N 2 1 369.491 -0.388 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891544768 657448460 /nfs/dbraw/zinc/44/84/60/657448460.db2.gz DPDGMDYKSOPGJT-MJBXVCDLSA-N 2 1 369.491 -0.388 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891563375 657448999 /nfs/dbraw/zinc/44/89/99/657448999.db2.gz FABVCSSEKWCURK-BRWVUGGUSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891563376 657449069 /nfs/dbraw/zinc/44/90/69/657449069.db2.gz FABVCSSEKWCURK-IKGGRYGDSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891563377 657448977 /nfs/dbraw/zinc/44/89/77/657448977.db2.gz FABVCSSEKWCURK-IXDOHACOSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891563378 657449042 /nfs/dbraw/zinc/44/90/42/657449042.db2.gz FABVCSSEKWCURK-ZACQAIPSSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891564999 657448871 /nfs/dbraw/zinc/44/88/71/657448871.db2.gz OBTXZEVFLSNDCK-JFIYKMOQSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891565000 657448988 /nfs/dbraw/zinc/44/89/88/657448988.db2.gz OBTXZEVFLSNDCK-NUJGCVRESA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891565001 657449078 /nfs/dbraw/zinc/44/90/78/657449078.db2.gz OBTXZEVFLSNDCK-RYRKJORJSA-N 2 1 351.495 -0.023 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891565002 657449006 /nfs/dbraw/zinc/44/90/06/657449006.db2.gz OBTXZEVFLSNDCK-SOLBZPMBSA-N 2 1 351.495 -0.023 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000891566220 657449020 /nfs/dbraw/zinc/44/90/20/657449020.db2.gz SPDSDPJSPUKDRT-LZLYRXPVSA-N 2 1 351.495 -0.356 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000891566224 657449146 /nfs/dbraw/zinc/44/91/46/657449146.db2.gz SPDSDPJSPUKDRT-XYJFISCASA-N 2 1 351.495 -0.356 20 0 FBADMP CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+](C)CC1 ZINC000891806015 657469387 /nfs/dbraw/zinc/46/93/87/657469387.db2.gz UMJLRAWXLPNZEN-UHFFFAOYSA-N 2 1 354.543 -0.099 20 0 FBADMP COCC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892055205 657506375 /nfs/dbraw/zinc/50/63/75/657506375.db2.gz IFLBCPVNHVSUED-INIZCTEOSA-N 2 1 357.499 -0.682 20 0 FBADMP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892055208 657506299 /nfs/dbraw/zinc/50/62/99/657506299.db2.gz IFLBCPVNHVSUED-MRXNPFEDSA-N 2 1 357.499 -0.682 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892188029 657515718 /nfs/dbraw/zinc/51/57/18/657515718.db2.gz DOJKVCHFUYDYNH-CVEARBPZSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892188030 657515745 /nfs/dbraw/zinc/51/57/45/657515745.db2.gz DOJKVCHFUYDYNH-HOTGVXAUSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892188031 657515852 /nfs/dbraw/zinc/51/58/52/657515852.db2.gz DOJKVCHFUYDYNH-HZPDHXFCSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892188032 657515804 /nfs/dbraw/zinc/51/58/04/657515804.db2.gz DOJKVCHFUYDYNH-JKSUJKDBSA-N 2 1 355.483 -0.929 20 0 FBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)CCO ZINC000892221478 657521177 /nfs/dbraw/zinc/52/11/77/657521177.db2.gz XVOUPFGEDJGCOY-UHFFFAOYSA-N 2 1 352.435 -0.264 20 0 FBADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892260887 657530260 /nfs/dbraw/zinc/53/02/60/657530260.db2.gz GAQRFZAZACZZFZ-PQUAAJSLSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892260889 657529911 /nfs/dbraw/zinc/52/99/11/657529911.db2.gz GAQRFZAZACZZFZ-UPTPFMHGSA-N 2 1 351.495 -0.166 20 0 FBADMP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892281639 657550281 /nfs/dbraw/zinc/55/02/81/657550281.db2.gz SLGANHGXPHRBGV-INIZCTEOSA-N 2 1 357.499 -0.682 20 0 FBADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892281640 657550309 /nfs/dbraw/zinc/55/03/09/657550309.db2.gz SLGANHGXPHRBGV-MRXNPFEDSA-N 2 1 357.499 -0.682 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892286927 657550946 /nfs/dbraw/zinc/55/09/46/657550946.db2.gz CVJDLNRALABTJH-CVEARBPZSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892286928 657551517 /nfs/dbraw/zinc/55/15/17/657551517.db2.gz CVJDLNRALABTJH-HOTGVXAUSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892286929 657551046 /nfs/dbraw/zinc/55/10/46/657551046.db2.gz CVJDLNRALABTJH-HZPDHXFCSA-N 2 1 355.483 -0.929 20 0 FBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892286930 657551096 /nfs/dbraw/zinc/55/10/96/657551096.db2.gz CVJDLNRALABTJH-JKSUJKDBSA-N 2 1 355.483 -0.929 20 0 FBADMP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892293153 657552302 /nfs/dbraw/zinc/55/23/02/657552302.db2.gz RFUZYPQNOIXKCL-INIZCTEOSA-N 2 1 357.499 -0.552 20 0 FBADMP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892293156 657552689 /nfs/dbraw/zinc/55/26/89/657552689.db2.gz RFUZYPQNOIXKCL-MRXNPFEDSA-N 2 1 357.499 -0.552 20 0 FBADMP CC1(C)CC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384558 657927336 /nfs/dbraw/zinc/92/73/36/657927336.db2.gz NHFXXGMZTYHBED-CYBMUJFWSA-N 2 1 373.523 -0.607 20 0 FBADMP CC1(C)CC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384564 657927596 /nfs/dbraw/zinc/92/75/96/657927596.db2.gz NHFXXGMZTYHBED-ZDUSSCGKSA-N 2 1 373.523 -0.607 20 0 FBADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000892487033 658209436 /nfs/dbraw/zinc/20/94/36/658209436.db2.gz UORORHGMHFGRPL-CYBMUJFWSA-N 2 1 373.523 -0.607 20 0 FBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000892487034 658210364 /nfs/dbraw/zinc/21/03/64/658210364.db2.gz UORORHGMHFGRPL-ZDUSSCGKSA-N 2 1 373.523 -0.607 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892588210 658368607 /nfs/dbraw/zinc/36/86/07/658368607.db2.gz XBPZBNDLBJKESU-BTTYYORXSA-N 2 1 371.507 -0.854 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892870649 658558267 /nfs/dbraw/zinc/55/82/67/658558267.db2.gz GXXHIZFVRXFQOL-BRWVUGGUSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892870650 658558431 /nfs/dbraw/zinc/55/84/31/658558431.db2.gz GXXHIZFVRXFQOL-IKGGRYGDSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892870651 658558622 /nfs/dbraw/zinc/55/86/22/658558622.db2.gz GXXHIZFVRXFQOL-IXDOHACOSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892870652 658558778 /nfs/dbraw/zinc/55/87/78/658558778.db2.gz GXXHIZFVRXFQOL-ZACQAIPSSA-N 2 1 353.511 -0.137 20 0 FBADMP CCC1([NH3+])CCN(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892933818 658562407 /nfs/dbraw/zinc/56/24/07/658562407.db2.gz PSEVOLZNTSZXQS-UHFFFAOYSA-N 2 1 359.496 -0.771 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCC(O)CC3)C2)CC1 ZINC000893022866 658645962 /nfs/dbraw/zinc/64/59/62/658645962.db2.gz NTVGGLPMSBVACC-HNNXBMFYSA-N 2 1 353.511 -0.089 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCC(O)CC3)C2)CC1 ZINC000893022872 658646047 /nfs/dbraw/zinc/64/60/47/658646047.db2.gz NTVGGLPMSBVACC-OAHLLOKOSA-N 2 1 353.511 -0.089 20 0 FBADMP C[NH+]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053964 658649002 /nfs/dbraw/zinc/64/90/02/658649002.db2.gz SPVYLGZPXHWBBE-BBWFWOEESA-N 2 1 351.495 -0.404 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053964 658648996 /nfs/dbraw/zinc/64/89/96/658648996.db2.gz SPVYLGZPXHWBBE-BBWFWOEESA-N 2 1 351.495 -0.404 20 0 FBADMP C[NH+]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053966 658649217 /nfs/dbraw/zinc/64/92/17/658649217.db2.gz SPVYLGZPXHWBBE-IXDOHACOSA-N 2 1 351.495 -0.404 20 0 FBADMP C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053966 658649209 /nfs/dbraw/zinc/64/92/09/658649209.db2.gz SPVYLGZPXHWBBE-IXDOHACOSA-N 2 1 351.495 -0.404 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893054710 658647652 /nfs/dbraw/zinc/64/76/52/658647652.db2.gz YSMQTHGVMROUJG-BBWFWOEESA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893054710 658647639 /nfs/dbraw/zinc/64/76/39/658647639.db2.gz YSMQTHGVMROUJG-BBWFWOEESA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054710 658647630 /nfs/dbraw/zinc/64/76/30/658647630.db2.gz YSMQTHGVMROUJG-BBWFWOEESA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054715 658647255 /nfs/dbraw/zinc/64/72/55/658647255.db2.gz YSMQTHGVMROUJG-GVDBMIGSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054715 658647247 /nfs/dbraw/zinc/64/72/47/658647247.db2.gz YSMQTHGVMROUJG-GVDBMIGSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054715 658647235 /nfs/dbraw/zinc/64/72/35/658647235.db2.gz YSMQTHGVMROUJG-GVDBMIGSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893054718 658647435 /nfs/dbraw/zinc/64/74/35/658647435.db2.gz YSMQTHGVMROUJG-ULQDDVLXSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893054718 658647428 /nfs/dbraw/zinc/64/74/28/658647428.db2.gz YSMQTHGVMROUJG-ULQDDVLXSA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054718 658647422 /nfs/dbraw/zinc/64/74/22/658647422.db2.gz YSMQTHGVMROUJG-ULQDDVLXSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054720 658647383 /nfs/dbraw/zinc/64/73/83/658647383.db2.gz YSMQTHGVMROUJG-YESZJQIVSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054720 658647374 /nfs/dbraw/zinc/64/73/74/658647374.db2.gz YSMQTHGVMROUJG-YESZJQIVSA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054720 658647365 /nfs/dbraw/zinc/64/73/65/658647365.db2.gz YSMQTHGVMROUJG-YESZJQIVSA-N 2 1 351.495 -0.262 20 0 FBADMP C[C@@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000893238025 658660929 /nfs/dbraw/zinc/66/09/29/658660929.db2.gz RDQGWEWJVLTLQZ-KRWDZBQOSA-N 2 1 354.543 -0.241 20 0 FBADMP C[C@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000893238029 658661367 /nfs/dbraw/zinc/66/13/67/658661367.db2.gz RDQGWEWJVLTLQZ-QGZVFWFLSA-N 2 1 354.543 -0.241 20 0 FBADMP CN1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+](C)CC1 ZINC000893864507 658916512 /nfs/dbraw/zinc/91/65/12/658916512.db2.gz AXXNGIGPFYGYDH-UHFFFAOYSA-N 2 1 354.543 -0.099 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000893874536 658916543 /nfs/dbraw/zinc/91/65/43/658916543.db2.gz YOMJCBQQIPFJNC-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000893874536 658916541 /nfs/dbraw/zinc/91/65/41/658916541.db2.gz YOMJCBQQIPFJNC-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000893874537 658916598 /nfs/dbraw/zinc/91/65/98/658916598.db2.gz YOMJCBQQIPFJNC-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000893874537 658916596 /nfs/dbraw/zinc/91/65/96/658916596.db2.gz YOMJCBQQIPFJNC-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000893874538 658916556 /nfs/dbraw/zinc/91/65/56/658916556.db2.gz YOMJCBQQIPFJNC-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000893874538 658916554 /nfs/dbraw/zinc/91/65/54/658916554.db2.gz YOMJCBQQIPFJNC-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000893874539 658916672 /nfs/dbraw/zinc/91/66/72/658916672.db2.gz YOMJCBQQIPFJNC-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000893874539 658916670 /nfs/dbraw/zinc/91/66/70/658916670.db2.gz YOMJCBQQIPFJNC-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894494101 658981042 /nfs/dbraw/zinc/98/10/42/658981042.db2.gz CBVQXTIGKVLRRG-NSHDSACASA-N 2 1 351.455 -0.356 20 0 FBADMP CN1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000894600486 658982082 /nfs/dbraw/zinc/98/20/82/658982082.db2.gz AFQAOMPNCOUWOG-UHFFFAOYSA-N 2 1 354.543 -0.099 20 0 FBADMP CN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000894600486 658982078 /nfs/dbraw/zinc/98/20/78/658982078.db2.gz AFQAOMPNCOUWOG-UHFFFAOYSA-N 2 1 354.543 -0.099 20 0 FBADMP CN1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+](C)CC1 ZINC000895968193 659042380 /nfs/dbraw/zinc/04/23/80/659042380.db2.gz JJTRZDQHBGULBK-HNNXBMFYSA-N 2 1 354.499 -0.785 20 0 FBADMP CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+](C)CC1 ZINC000895968193 659042375 /nfs/dbraw/zinc/04/23/75/659042375.db2.gz JJTRZDQHBGULBK-HNNXBMFYSA-N 2 1 354.499 -0.785 20 0 FBADMP CN1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+](C)CC1 ZINC000895968193 659042366 /nfs/dbraw/zinc/04/23/66/659042366.db2.gz JJTRZDQHBGULBK-HNNXBMFYSA-N 2 1 354.499 -0.785 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896008198 659042669 /nfs/dbraw/zinc/04/26/69/659042669.db2.gz BMEKYWUCKSBBMV-CVEARBPZSA-N 2 1 350.463 -0.352 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896008205 659042770 /nfs/dbraw/zinc/04/27/70/659042770.db2.gz BMEKYWUCKSBBMV-HOTGVXAUSA-N 2 1 350.463 -0.352 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896008210 659043063 /nfs/dbraw/zinc/04/30/63/659043063.db2.gz BMEKYWUCKSBBMV-HZPDHXFCSA-N 2 1 350.463 -0.352 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896008212 659042857 /nfs/dbraw/zinc/04/28/57/659042857.db2.gz BMEKYWUCKSBBMV-JKSUJKDBSA-N 2 1 350.463 -0.352 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896073050 659045846 /nfs/dbraw/zinc/04/58/46/659045846.db2.gz MSQLBRNAYZVZRT-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896073051 659046120 /nfs/dbraw/zinc/04/61/20/659046120.db2.gz MSQLBRNAYZVZRT-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896073052 659046022 /nfs/dbraw/zinc/04/60/22/659046022.db2.gz MSQLBRNAYZVZRT-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896073053 659045667 /nfs/dbraw/zinc/04/56/67/659045667.db2.gz MSQLBRNAYZVZRT-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896087191 659045736 /nfs/dbraw/zinc/04/57/36/659045736.db2.gz CXFGXMBQBGMXDI-AWEZNQCLSA-N 2 1 352.479 -0.199 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896087193 659046109 /nfs/dbraw/zinc/04/61/09/659046109.db2.gz CXFGXMBQBGMXDI-CQSZACIVSA-N 2 1 352.479 -0.199 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896285175 659054268 /nfs/dbraw/zinc/05/42/68/659054268.db2.gz QREVCXXPPDCXOH-UHFFFAOYSA-N 2 1 352.479 -0.234 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896399825 659055445 /nfs/dbraw/zinc/05/54/45/659055445.db2.gz CZUQXBYHDQWXIT-DLBZAZTESA-N 2 1 352.479 -0.770 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896399826 659055655 /nfs/dbraw/zinc/05/56/55/659055655.db2.gz CZUQXBYHDQWXIT-IAGOWNOFSA-N 2 1 352.479 -0.770 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896399827 659055825 /nfs/dbraw/zinc/05/58/25/659055825.db2.gz CZUQXBYHDQWXIT-IRXDYDNUSA-N 2 1 352.479 -0.770 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896399936 659055512 /nfs/dbraw/zinc/05/55/12/659055512.db2.gz CZUQXBYHDQWXIT-SJORKVTESA-N 2 1 352.479 -0.770 20 0 FBADMP CC(C)Nc1nc(NCCO)nc(N2CCN(C)CC[N@@H+](C)CC2)n1 ZINC000897094720 659869664 /nfs/dbraw/zinc/86/96/64/659869664.db2.gz MRJNHLDXHCYTMB-UHFFFAOYSA-N 2 1 352.487 -0.220 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897420128 659921212 /nfs/dbraw/zinc/92/12/12/659921212.db2.gz LWHRZRLSDVJQNE-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897420128 659921210 /nfs/dbraw/zinc/92/12/10/659921210.db2.gz LWHRZRLSDVJQNE-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897420129 659921333 /nfs/dbraw/zinc/92/13/33/659921333.db2.gz LWHRZRLSDVJQNE-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897420129 659921332 /nfs/dbraw/zinc/92/13/32/659921332.db2.gz LWHRZRLSDVJQNE-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897420130 659921312 /nfs/dbraw/zinc/92/13/12/659921312.db2.gz LWHRZRLSDVJQNE-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897420130 659921309 /nfs/dbraw/zinc/92/13/09/659921309.db2.gz LWHRZRLSDVJQNE-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897420131 659921227 /nfs/dbraw/zinc/92/12/27/659921227.db2.gz LWHRZRLSDVJQNE-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897420131 659921226 /nfs/dbraw/zinc/92/12/26/659921226.db2.gz LWHRZRLSDVJQNE-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000897464154 659945899 /nfs/dbraw/zinc/94/58/99/659945899.db2.gz LNHJJHZFECEPCE-PMPSAXMXSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000897464154 659945898 /nfs/dbraw/zinc/94/58/98/659945898.db2.gz LNHJJHZFECEPCE-PMPSAXMXSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[C@H](O)C[NH+]1C ZINC000897464154 659945897 /nfs/dbraw/zinc/94/58/97/659945897.db2.gz LNHJJHZFECEPCE-PMPSAXMXSA-N 2 1 354.495 -0.062 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668866 659972153 /nfs/dbraw/zinc/97/21/53/659972153.db2.gz NCQHUGHYDMVRSS-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668866 659972152 /nfs/dbraw/zinc/97/21/52/659972152.db2.gz NCQHUGHYDMVRSS-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668867 659972116 /nfs/dbraw/zinc/97/21/16/659972116.db2.gz NCQHUGHYDMVRSS-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668867 659972115 /nfs/dbraw/zinc/97/21/15/659972115.db2.gz NCQHUGHYDMVRSS-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000897766563 659973495 /nfs/dbraw/zinc/97/34/95/659973495.db2.gz PNRZWDLULIRILS-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000897766563 659973492 /nfs/dbraw/zinc/97/34/92/659973492.db2.gz PNRZWDLULIRILS-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000897766563 659973490 /nfs/dbraw/zinc/97/34/90/659973490.db2.gz PNRZWDLULIRILS-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000897766563 659973487 /nfs/dbraw/zinc/97/34/87/659973487.db2.gz PNRZWDLULIRILS-UHFFFAOYSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000897792489 659973924 /nfs/dbraw/zinc/97/39/24/659973924.db2.gz LRNWJXGMOWHSQK-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000897792489 659973923 /nfs/dbraw/zinc/97/39/23/659973923.db2.gz LRNWJXGMOWHSQK-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000897792496 659973999 /nfs/dbraw/zinc/97/39/99/659973999.db2.gz LRNWJXGMOWHSQK-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000897792496 659973996 /nfs/dbraw/zinc/97/39/96/659973996.db2.gz LRNWJXGMOWHSQK-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000897792497 659973951 /nfs/dbraw/zinc/97/39/51/659973951.db2.gz LRNWJXGMOWHSQK-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000897792497 659973949 /nfs/dbraw/zinc/97/39/49/659973949.db2.gz LRNWJXGMOWHSQK-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000897792499 659973962 /nfs/dbraw/zinc/97/39/62/659973962.db2.gz LRNWJXGMOWHSQK-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000897792499 659973961 /nfs/dbraw/zinc/97/39/61/659973961.db2.gz LRNWJXGMOWHSQK-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000897940015 659975251 /nfs/dbraw/zinc/97/52/51/659975251.db2.gz XCDARQXEYLIYNU-BZUAXINKSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000897940015 659975250 /nfs/dbraw/zinc/97/52/50/659975250.db2.gz XCDARQXEYLIYNU-BZUAXINKSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000897940016 659975301 /nfs/dbraw/zinc/97/53/01/659975301.db2.gz XCDARQXEYLIYNU-OAGGEKHMSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000897940016 659975299 /nfs/dbraw/zinc/97/52/99/659975299.db2.gz XCDARQXEYLIYNU-OAGGEKHMSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000897940017 659975209 /nfs/dbraw/zinc/97/52/09/659975209.db2.gz XCDARQXEYLIYNU-OWCLPIDISA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000897940017 659975206 /nfs/dbraw/zinc/97/52/06/659975206.db2.gz XCDARQXEYLIYNU-OWCLPIDISA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000897940018 659975242 /nfs/dbraw/zinc/97/52/42/659975242.db2.gz XCDARQXEYLIYNU-PMPSAXMXSA-N 2 1 352.479 -0.309 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000897940018 659975241 /nfs/dbraw/zinc/97/52/41/659975241.db2.gz XCDARQXEYLIYNU-PMPSAXMXSA-N 2 1 352.479 -0.309 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000897991431 659976835 /nfs/dbraw/zinc/97/68/35/659976835.db2.gz GUYPJHGUIWPZLF-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000897991431 659976834 /nfs/dbraw/zinc/97/68/34/659976834.db2.gz GUYPJHGUIWPZLF-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000897991431 659976833 /nfs/dbraw/zinc/97/68/33/659976833.db2.gz GUYPJHGUIWPZLF-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000897991432 659976775 /nfs/dbraw/zinc/97/67/75/659976775.db2.gz GUYPJHGUIWPZLF-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000897991432 659976773 /nfs/dbraw/zinc/97/67/73/659976773.db2.gz GUYPJHGUIWPZLF-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000897991432 659976772 /nfs/dbraw/zinc/97/67/72/659976772.db2.gz GUYPJHGUIWPZLF-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000898127707 659977998 /nfs/dbraw/zinc/97/79/98/659977998.db2.gz IMXOJOCVWSDYGF-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000898127707 659977997 /nfs/dbraw/zinc/97/79/97/659977997.db2.gz IMXOJOCVWSDYGF-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000898127708 659977954 /nfs/dbraw/zinc/97/79/54/659977954.db2.gz IMXOJOCVWSDYGF-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000898127708 659977951 /nfs/dbraw/zinc/97/79/51/659977951.db2.gz IMXOJOCVWSDYGF-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP COCC[NH+](CCOC)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000898250312 659978803 /nfs/dbraw/zinc/97/88/03/659978803.db2.gz OBXGRWANOBSYDT-UHFFFAOYSA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC([C@@H]3COC(=O)N3)CC2)C1=O ZINC000899249444 659996325 /nfs/dbraw/zinc/99/63/25/659996325.db2.gz ZYJIKNXPGJPYOV-KBPBESRZSA-N 2 1 352.435 -0.114 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC([C@H]3COC(=O)N3)CC2)C1=O ZINC000899249445 659996377 /nfs/dbraw/zinc/99/63/77/659996377.db2.gz ZYJIKNXPGJPYOV-KGLIPLIRSA-N 2 1 352.435 -0.114 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC([C@@H]3COC(=O)N3)CC2)C1=O ZINC000899249446 659996398 /nfs/dbraw/zinc/99/63/98/659996398.db2.gz ZYJIKNXPGJPYOV-UONOGXRCSA-N 2 1 352.435 -0.114 20 0 FBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC([C@H]3COC(=O)N3)CC2)C1=O ZINC000899249447 659996369 /nfs/dbraw/zinc/99/63/69/659996369.db2.gz ZYJIKNXPGJPYOV-ZIAGYGMSSA-N 2 1 352.435 -0.114 20 0 FBADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899735248 660000773 /nfs/dbraw/zinc/00/07/73/660000773.db2.gz YRPXPSCTZYSUAN-UHFFFAOYSA-N 2 1 358.483 -0.031 20 0 FBADMP C[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899735248 660000770 /nfs/dbraw/zinc/00/07/70/660000770.db2.gz YRPXPSCTZYSUAN-UHFFFAOYSA-N 2 1 358.483 -0.031 20 0 FBADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000900009233 662271723 /nfs/dbraw/zinc/27/17/23/662271723.db2.gz GYPHZBOJQKAKFT-INIZCTEOSA-N 2 1 354.495 -0.033 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000900009235 662271561 /nfs/dbraw/zinc/27/15/61/662271561.db2.gz GYPHZBOJQKAKFT-MRXNPFEDSA-N 2 1 354.495 -0.033 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900191781 662274950 /nfs/dbraw/zinc/27/49/50/662274950.db2.gz UVXUMHMLHVIWQV-GOSISDBHSA-N 2 1 354.495 -0.060 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191781 662274944 /nfs/dbraw/zinc/27/49/44/662274944.db2.gz UVXUMHMLHVIWQV-GOSISDBHSA-N 2 1 354.495 -0.060 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900191784 662274680 /nfs/dbraw/zinc/27/46/80/662274680.db2.gz UVXUMHMLHVIWQV-SFHVURJKSA-N 2 1 354.495 -0.060 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191784 662274676 /nfs/dbraw/zinc/27/46/76/662274676.db2.gz UVXUMHMLHVIWQV-SFHVURJKSA-N 2 1 354.495 -0.060 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900338756 662276201 /nfs/dbraw/zinc/27/62/01/662276201.db2.gz HHDJOJGLRKZURJ-UHFFFAOYSA-N 2 1 353.448 -0.337 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900482302 662279415 /nfs/dbraw/zinc/27/94/15/662279415.db2.gz ZGEIULGAMKNYHY-HNNXBMFYSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900482303 662279569 /nfs/dbraw/zinc/27/95/69/662279569.db2.gz ZGEIULGAMKNYHY-OAHLLOKOSA-N 2 1 360.524 -0.248 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900496719 662279809 /nfs/dbraw/zinc/27/98/09/662279809.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900496719 662279806 /nfs/dbraw/zinc/27/98/06/662279806.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900496719 662279803 /nfs/dbraw/zinc/27/98/03/662279803.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900496720 662280006 /nfs/dbraw/zinc/28/00/06/662280006.db2.gz JIMZGHWEVADJIU-MAUKXSAKSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900496720 662280003 /nfs/dbraw/zinc/28/00/03/662280003.db2.gz JIMZGHWEVADJIU-MAUKXSAKSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900496720 662280001 /nfs/dbraw/zinc/28/00/01/662280001.db2.gz JIMZGHWEVADJIU-MAUKXSAKSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900496721 662279775 /nfs/dbraw/zinc/27/97/75/662279775.db2.gz JIMZGHWEVADJIU-QAPCUYQASA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900496721 662279774 /nfs/dbraw/zinc/27/97/74/662279774.db2.gz JIMZGHWEVADJIU-QAPCUYQASA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900496721 662279773 /nfs/dbraw/zinc/27/97/73/662279773.db2.gz JIMZGHWEVADJIU-QAPCUYQASA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900496722 662279713 /nfs/dbraw/zinc/27/97/13/662279713.db2.gz JIMZGHWEVADJIU-YJBOKZPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900496722 662279711 /nfs/dbraw/zinc/27/97/11/662279711.db2.gz JIMZGHWEVADJIU-YJBOKZPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900496722 662279706 /nfs/dbraw/zinc/27/97/06/662279706.db2.gz JIMZGHWEVADJIU-YJBOKZPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504233 662279895 /nfs/dbraw/zinc/27/98/95/662279895.db2.gz HFGUQNIYZDASHL-CRAIPNDOSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504233 662279893 /nfs/dbraw/zinc/27/98/93/662279893.db2.gz HFGUQNIYZDASHL-CRAIPNDOSA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504233 662279889 /nfs/dbraw/zinc/27/98/89/662279889.db2.gz HFGUQNIYZDASHL-CRAIPNDOSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504234 662279792 /nfs/dbraw/zinc/27/97/92/662279792.db2.gz HFGUQNIYZDASHL-MAUKXSAKSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504234 662279791 /nfs/dbraw/zinc/27/97/91/662279791.db2.gz HFGUQNIYZDASHL-MAUKXSAKSA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504234 662279787 /nfs/dbraw/zinc/27/97/87/662279787.db2.gz HFGUQNIYZDASHL-MAUKXSAKSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504235 662280033 /nfs/dbraw/zinc/28/00/33/662280033.db2.gz HFGUQNIYZDASHL-QAPCUYQASA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504235 662280028 /nfs/dbraw/zinc/28/00/28/662280028.db2.gz HFGUQNIYZDASHL-QAPCUYQASA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504235 662280024 /nfs/dbraw/zinc/28/00/24/662280024.db2.gz HFGUQNIYZDASHL-QAPCUYQASA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279947 /nfs/dbraw/zinc/27/99/47/662279947.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279944 /nfs/dbraw/zinc/27/99/44/662279944.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279939 /nfs/dbraw/zinc/27/99/39/662279939.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH+](C)CCn1nccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000900513436 662280158 /nfs/dbraw/zinc/28/01/58/662280158.db2.gz WQOWUTZXRMZOFW-AWEZNQCLSA-N 2 1 350.467 -0.238 20 0 FBADMP C[NH+](C)CCn1nccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000900513437 662280280 /nfs/dbraw/zinc/28/02/80/662280280.db2.gz WQOWUTZXRMZOFW-CQSZACIVSA-N 2 1 350.467 -0.238 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000900562560 662281071 /nfs/dbraw/zinc/28/10/71/662281071.db2.gz ZUMNGHSGBUKVLK-GOSISDBHSA-N 2 1 352.479 -0.400 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000900562562 662280906 /nfs/dbraw/zinc/28/09/06/662280906.db2.gz ZUMNGHSGBUKVLK-SFHVURJKSA-N 2 1 352.479 -0.400 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900575451 662280988 /nfs/dbraw/zinc/28/09/88/662280988.db2.gz XRMRRIRBRKGMPH-GOSISDBHSA-N 2 1 354.495 -0.154 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900575452 662281046 /nfs/dbraw/zinc/28/10/46/662281046.db2.gz XRMRRIRBRKGMPH-SFHVURJKSA-N 2 1 354.495 -0.154 20 0 FBADMP CC1(C)CN(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CCO1 ZINC000900618876 662282593 /nfs/dbraw/zinc/28/25/93/662282593.db2.gz PYPFIUPICKYXIF-UHFFFAOYSA-N 2 1 350.467 -0.119 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900640694 662283125 /nfs/dbraw/zinc/28/31/25/662283125.db2.gz DEJODXGTZSOWTI-GOSISDBHSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900640695 662283280 /nfs/dbraw/zinc/28/32/80/662283280.db2.gz DEJODXGTZSOWTI-SFHVURJKSA-N 2 1 354.495 -0.108 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900645820 662283156 /nfs/dbraw/zinc/28/31/56/662283156.db2.gz WTHAEBKWRUMBPL-UHFFFAOYSA-N 2 1 350.467 -0.273 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000900730884 662286107 /nfs/dbraw/zinc/28/61/07/662286107.db2.gz ITXVGKXRUMOWJB-AEFFLSMTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000900730884 662286098 /nfs/dbraw/zinc/28/60/98/662286098.db2.gz ITXVGKXRUMOWJB-AEFFLSMTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730884 662286091 /nfs/dbraw/zinc/28/60/91/662286091.db2.gz ITXVGKXRUMOWJB-AEFFLSMTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000900730885 662285710 /nfs/dbraw/zinc/28/57/10/662285710.db2.gz ITXVGKXRUMOWJB-FUHWJXTLSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000900730885 662285702 /nfs/dbraw/zinc/28/57/02/662285702.db2.gz ITXVGKXRUMOWJB-FUHWJXTLSA-N 2 1 354.495 -0.644 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730885 662285696 /nfs/dbraw/zinc/28/56/96/662285696.db2.gz ITXVGKXRUMOWJB-FUHWJXTLSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000900730886 662285910 /nfs/dbraw/zinc/28/59/10/662285910.db2.gz ITXVGKXRUMOWJB-SJLPKXTDSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000900730886 662285902 /nfs/dbraw/zinc/28/59/02/662285902.db2.gz ITXVGKXRUMOWJB-SJLPKXTDSA-N 2 1 354.495 -0.644 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730886 662285893 /nfs/dbraw/zinc/28/58/93/662285893.db2.gz ITXVGKXRUMOWJB-SJLPKXTDSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000900730887 662286276 /nfs/dbraw/zinc/28/62/76/662286276.db2.gz ITXVGKXRUMOWJB-WMZOPIPTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000900730887 662286275 /nfs/dbraw/zinc/28/62/75/662286275.db2.gz ITXVGKXRUMOWJB-WMZOPIPTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730887 662286270 /nfs/dbraw/zinc/28/62/70/662286270.db2.gz ITXVGKXRUMOWJB-WMZOPIPTSA-N 2 1 354.495 -0.644 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107502 662300374 /nfs/dbraw/zinc/30/03/74/662300374.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107502 662300370 /nfs/dbraw/zinc/30/03/70/662300370.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107502 662300366 /nfs/dbraw/zinc/30/03/66/662300366.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107506 662300452 /nfs/dbraw/zinc/30/04/52/662300452.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107506 662300450 /nfs/dbraw/zinc/30/04/50/662300450.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107506 662300449 /nfs/dbraw/zinc/30/04/49/662300449.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107507 662300511 /nfs/dbraw/zinc/30/05/11/662300511.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107507 662300509 /nfs/dbraw/zinc/30/05/09/662300509.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107507 662300507 /nfs/dbraw/zinc/30/05/07/662300507.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107508 662300413 /nfs/dbraw/zinc/30/04/13/662300413.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107508 662300409 /nfs/dbraw/zinc/30/04/09/662300409.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107508 662300404 /nfs/dbraw/zinc/30/04/04/662300404.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000901297760 662307500 /nfs/dbraw/zinc/30/75/00/662307500.db2.gz CGPCEZZEFHIPRC-GOSISDBHSA-N 2 1 355.479 -0.481 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000901297761 662307400 /nfs/dbraw/zinc/30/74/00/662307400.db2.gz CGPCEZZEFHIPRC-SFHVURJKSA-N 2 1 355.479 -0.481 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492654 662347416 /nfs/dbraw/zinc/34/74/16/662347416.db2.gz IRLTXYRKNUTREU-AFIMGQEJSA-N 3 1 352.479 -0.249 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492654 662347413 /nfs/dbraw/zinc/34/74/13/662347413.db2.gz IRLTXYRKNUTREU-AFIMGQEJSA-N 3 1 352.479 -0.249 20 0 FBADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492654 662347410 /nfs/dbraw/zinc/34/74/10/662347410.db2.gz IRLTXYRKNUTREU-AFIMGQEJSA-N 2 1 352.479 -0.249 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492659 662347466 /nfs/dbraw/zinc/34/74/66/662347466.db2.gz IRLTXYRKNUTREU-FSZRXZPDSA-N 3 1 352.479 -0.249 20 0 FBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492659 662347464 /nfs/dbraw/zinc/34/74/64/662347464.db2.gz IRLTXYRKNUTREU-FSZRXZPDSA-N 3 1 352.479 -0.249 20 0 FBADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492659 662347458 /nfs/dbraw/zinc/34/74/58/662347458.db2.gz IRLTXYRKNUTREU-FSZRXZPDSA-N 2 1 352.479 -0.249 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000903493533 662347948 /nfs/dbraw/zinc/34/79/48/662347948.db2.gz ULVKRJQWIFATHO-AYDFFVQHSA-N 2 1 359.492 -0.130 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000903493534 662347994 /nfs/dbraw/zinc/34/79/94/662347994.db2.gz ULVKRJQWIFATHO-CTASWTNQSA-N 2 1 359.492 -0.130 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000903493715 662348057 /nfs/dbraw/zinc/34/80/57/662348057.db2.gz VZAMIBMQBHJWIS-HRJSJKBJSA-N 2 1 351.447 -0.021 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000903493721 662347833 /nfs/dbraw/zinc/34/78/33/662347833.db2.gz VZAMIBMQBHJWIS-OJIVJNGMSA-N 2 1 351.447 -0.021 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903493866 662347927 /nfs/dbraw/zinc/34/79/27/662347927.db2.gz YHRLDOOBOIFVAY-IYOUNJFTSA-N 3 1 352.479 -0.201 20 0 FBADMP COCCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903496716 662348104 /nfs/dbraw/zinc/34/81/04/662348104.db2.gz ZSUPHIVOLPPYQS-KFWWJZLASA-N 2 1 361.508 -0.435 20 0 FBADMP COCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903496716 662348102 /nfs/dbraw/zinc/34/81/02/662348102.db2.gz ZSUPHIVOLPPYQS-KFWWJZLASA-N 2 1 361.508 -0.435 20 0 FBADMP COCCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903496717 662347816 /nfs/dbraw/zinc/34/78/16/662347816.db2.gz ZSUPHIVOLPPYQS-RBSFLKMASA-N 2 1 361.508 -0.435 20 0 FBADMP COCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903496717 662347811 /nfs/dbraw/zinc/34/78/11/662347811.db2.gz ZSUPHIVOLPPYQS-RBSFLKMASA-N 2 1 361.508 -0.435 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1CC[NH3+] ZINC000903497218 662347864 /nfs/dbraw/zinc/34/78/64/662347864.db2.gz QLVMLFCRSLBHMZ-BZUAXINKSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1CC[NH3+] ZINC000903497218 662347858 /nfs/dbraw/zinc/34/78/58/662347858.db2.gz QLVMLFCRSLBHMZ-BZUAXINKSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1CC[NH3+] ZINC000903497220 662347851 /nfs/dbraw/zinc/34/78/51/662347851.db2.gz QLVMLFCRSLBHMZ-OAGGEKHMSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1CC[NH3+] ZINC000903497220 662347846 /nfs/dbraw/zinc/34/78/46/662347846.db2.gz QLVMLFCRSLBHMZ-OAGGEKHMSA-N 2 1 372.535 -0.766 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506650 662348080 /nfs/dbraw/zinc/34/80/80/662348080.db2.gz DAHCEEVFRUIUJY-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506650 662348078 /nfs/dbraw/zinc/34/80/78/662348078.db2.gz DAHCEEVFRUIUJY-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP COC(=O)CN(C)C(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506650 662348075 /nfs/dbraw/zinc/34/80/75/662348075.db2.gz DAHCEEVFRUIUJY-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP COCCCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508642 662348095 /nfs/dbraw/zinc/34/80/95/662348095.db2.gz PHDPOGAPXGJDLX-CALCHBBNSA-N 2 1 374.551 -0.157 20 0 FBADMP C[C@@H](NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC000903510867 662348064 /nfs/dbraw/zinc/34/80/64/662348064.db2.gz SGRIJIJSTCYIIQ-BMFZPTHFSA-N 2 1 351.495 -0.520 20 0 FBADMP C[C@H](NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC000903510868 662347759 /nfs/dbraw/zinc/34/77/59/662347759.db2.gz SGRIJIJSTCYIIQ-CWRNSKLLSA-N 2 1 351.495 -0.520 20 0 FBADMP C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903560997 662349833 /nfs/dbraw/zinc/34/98/33/662349833.db2.gz BGJWXZSABGQTIC-AEGPPILISA-N 2 1 358.508 -0.307 20 0 FBADMP C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903560997 662349826 /nfs/dbraw/zinc/34/98/26/662349826.db2.gz BGJWXZSABGQTIC-AEGPPILISA-N 2 1 358.508 -0.307 20 0 FBADMP C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903560998 662349755 /nfs/dbraw/zinc/34/97/55/662349755.db2.gz BGJWXZSABGQTIC-YUELXQCFSA-N 2 1 358.508 -0.307 20 0 FBADMP C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903560998 662349751 /nfs/dbraw/zinc/34/97/51/662349751.db2.gz BGJWXZSABGQTIC-YUELXQCFSA-N 2 1 358.508 -0.307 20 0 FBADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562377 662349890 /nfs/dbraw/zinc/34/98/90/662349890.db2.gz KQTGIYQQMJINDK-CALCHBBNSA-N 3 1 371.551 -0.184 20 0 FBADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562377 662349885 /nfs/dbraw/zinc/34/98/85/662349885.db2.gz KQTGIYQQMJINDK-CALCHBBNSA-N 3 1 371.551 -0.184 20 0 FBADMP O=S(=O)(N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCCOCC1 ZINC000903562422 662350223 /nfs/dbraw/zinc/35/02/23/662350223.db2.gz MTHALDJLFADRMH-IYBDPMFKSA-N 2 1 358.508 -0.146 20 0 FBADMP O=S(=O)(N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCCOCC1 ZINC000903562422 662350219 /nfs/dbraw/zinc/35/02/19/662350219.db2.gz MTHALDJLFADRMH-IYBDPMFKSA-N 2 1 358.508 -0.146 20 0 FBADMP COC(=O)CCN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562773 662350294 /nfs/dbraw/zinc/35/02/94/662350294.db2.gz STXTWXMFWPLHSC-GASCZTMLSA-N 2 1 374.507 -0.373 20 0 FBADMP COC(=O)CCN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562773 662350287 /nfs/dbraw/zinc/35/02/87/662350287.db2.gz STXTWXMFWPLHSC-GASCZTMLSA-N 2 1 374.507 -0.373 20 0 FBADMP COCCOCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562928 662350012 /nfs/dbraw/zinc/35/00/12/662350012.db2.gz YNBVVZKZJWAEPF-IYBDPMFKSA-N 2 1 361.508 -0.120 20 0 FBADMP COCCOCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562928 662350010 /nfs/dbraw/zinc/35/00/10/662350010.db2.gz YNBVVZKZJWAEPF-IYBDPMFKSA-N 2 1 361.508 -0.120 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000903602950 662351128 /nfs/dbraw/zinc/35/11/28/662351128.db2.gz QJHJJNJIRYSSQZ-AWEZNQCLSA-N 2 1 359.496 -0.330 20 0 FBADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000903602951 662351089 /nfs/dbraw/zinc/35/10/89/662351089.db2.gz QJHJJNJIRYSSQZ-CQSZACIVSA-N 2 1 359.496 -0.330 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000903714136 662354831 /nfs/dbraw/zinc/35/48/31/662354831.db2.gz NMRLWQGGFRRLKG-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000903714136 662354829 /nfs/dbraw/zinc/35/48/29/662354829.db2.gz NMRLWQGGFRRLKG-OWCLPIDISA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCC[C@H](O)C1 ZINC000903714137 662354745 /nfs/dbraw/zinc/35/47/45/662354745.db2.gz NMRLWQGGFRRLKG-XHSDSOJGSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCC[C@H](O)C1 ZINC000903714137 662354740 /nfs/dbraw/zinc/35/47/40/662354740.db2.gz NMRLWQGGFRRLKG-XHSDSOJGSA-N 2 1 350.463 -0.603 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903714853 662354664 /nfs/dbraw/zinc/35/46/64/662354664.db2.gz JEGRURZBBKRAKI-BMFZPTHFSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903714853 662354661 /nfs/dbraw/zinc/35/46/61/662354661.db2.gz JEGRURZBBKRAKI-BMFZPTHFSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903714854 662354621 /nfs/dbraw/zinc/35/46/21/662354621.db2.gz JEGRURZBBKRAKI-CWRNSKLLSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903714854 662354617 /nfs/dbraw/zinc/35/46/17/662354617.db2.gz JEGRURZBBKRAKI-CWRNSKLLSA-N 2 1 350.463 -0.339 20 0 FBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718547 662355072 /nfs/dbraw/zinc/35/50/72/662355072.db2.gz ORPJWCNTXOMYEF-CVEARBPZSA-N 2 1 360.524 -0.041 20 0 FBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718548 662355093 /nfs/dbraw/zinc/35/50/93/662355093.db2.gz ORPJWCNTXOMYEF-HOTGVXAUSA-N 2 1 360.524 -0.041 20 0 FBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718549 662355008 /nfs/dbraw/zinc/35/50/08/662355008.db2.gz ORPJWCNTXOMYEF-HZPDHXFCSA-N 2 1 360.524 -0.041 20 0 FBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718550 662355021 /nfs/dbraw/zinc/35/50/21/662355021.db2.gz ORPJWCNTXOMYEF-JKSUJKDBSA-N 2 1 360.524 -0.041 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC000903719381 662355087 /nfs/dbraw/zinc/35/50/87/662355087.db2.gz KFBXKKGVIGXPDB-GASCZTMLSA-N 2 1 352.504 -0.011 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC000903719381 662355086 /nfs/dbraw/zinc/35/50/86/662355086.db2.gz KFBXKKGVIGXPDB-GASCZTMLSA-N 2 1 352.504 -0.011 20 0 FBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903719393 662355017 /nfs/dbraw/zinc/35/50/17/662355017.db2.gz KHYLQLMEIRXUFI-IYBDPMFKSA-N 3 1 351.495 -0.566 20 0 FBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903719393 662355016 /nfs/dbraw/zinc/35/50/16/662355016.db2.gz KHYLQLMEIRXUFI-IYBDPMFKSA-N 3 1 351.495 -0.566 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903724577 662355447 /nfs/dbraw/zinc/35/54/47/662355447.db2.gz VFFWNWWTIQCNNP-HNNXBMFYSA-N 2 1 353.511 -0.334 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903724577 662355444 /nfs/dbraw/zinc/35/54/44/662355444.db2.gz VFFWNWWTIQCNNP-HNNXBMFYSA-N 3 1 353.511 -0.334 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903724578 662355582 /nfs/dbraw/zinc/35/55/82/662355582.db2.gz VFFWNWWTIQCNNP-OAHLLOKOSA-N 2 1 353.511 -0.334 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903724578 662355580 /nfs/dbraw/zinc/35/55/80/662355580.db2.gz VFFWNWWTIQCNNP-OAHLLOKOSA-N 3 1 353.511 -0.334 20 0 FBADMP O=C(C(=O)N1CCCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903726368 662355392 /nfs/dbraw/zinc/35/53/92/662355392.db2.gz JBPOLGBZPBGVTL-IYBDPMFKSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(C(=O)N1CCCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903726368 662355389 /nfs/dbraw/zinc/35/53/89/662355389.db2.gz JBPOLGBZPBGVTL-IYBDPMFKSA-N 2 1 350.463 -0.338 20 0 FBADMP COCCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903730866 662355804 /nfs/dbraw/zinc/35/58/04/662355804.db2.gz PHCSAMCHXNLDCB-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP COCCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903730866 662355802 /nfs/dbraw/zinc/35/58/02/662355802.db2.gz PHCSAMCHXNLDCB-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCC[C@H]1CO ZINC000903730967 662355917 /nfs/dbraw/zinc/35/59/17/662355917.db2.gz SBCUXUWPFTUOFE-XHSDSOJGSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCC[C@H]1CO ZINC000903730967 662355916 /nfs/dbraw/zinc/35/59/16/662355916.db2.gz SBCUXUWPFTUOFE-XHSDSOJGSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733723 662355992 /nfs/dbraw/zinc/35/59/92/662355992.db2.gz PHYQSAQGOMPSRM-AEFFLSMTSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733728 662355856 /nfs/dbraw/zinc/35/58/56/662355856.db2.gz PHYQSAQGOMPSRM-FUHWJXTLSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733729 662355986 /nfs/dbraw/zinc/35/59/86/662355986.db2.gz PHYQSAQGOMPSRM-SJLPKXTDSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733730 662355962 /nfs/dbraw/zinc/35/59/62/662355962.db2.gz PHYQSAQGOMPSRM-WMZOPIPTSA-N 2 1 352.479 -0.769 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903735039 662355886 /nfs/dbraw/zinc/35/58/86/662355886.db2.gz GCXWPGJVTRAUMA-GHMZBOCLSA-N 2 1 366.384 -0.751 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[C@@H](CO)C1 ZINC000903735872 662355874 /nfs/dbraw/zinc/35/58/74/662355874.db2.gz QQISEWYNQSFYII-BMFZPTHFSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[C@@H](CO)C1 ZINC000903735872 662355869 /nfs/dbraw/zinc/35/58/69/662355869.db2.gz QQISEWYNQSFYII-BMFZPTHFSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[C@H](CO)C1 ZINC000903735875 662355904 /nfs/dbraw/zinc/35/59/04/662355904.db2.gz QQISEWYNQSFYII-CWRNSKLLSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[C@H](CO)C1 ZINC000903735875 662355901 /nfs/dbraw/zinc/35/59/01/662355901.db2.gz QQISEWYNQSFYII-CWRNSKLLSA-N 2 1 350.463 -0.746 20 0 FBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000903738054 662356375 /nfs/dbraw/zinc/35/63/75/662356375.db2.gz IDHNEUQCOMJJCX-GOEBONIOSA-N 3 1 351.495 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000903738054 662356370 /nfs/dbraw/zinc/35/63/70/662356370.db2.gz IDHNEUQCOMJJCX-GOEBONIOSA-N 3 1 351.495 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000903738055 662356496 /nfs/dbraw/zinc/35/64/96/662356496.db2.gz IDHNEUQCOMJJCX-HOCLYGCPSA-N 3 1 351.495 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000903738055 662356493 /nfs/dbraw/zinc/35/64/93/662356493.db2.gz IDHNEUQCOMJJCX-HOCLYGCPSA-N 3 1 351.495 -0.437 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000903738102 662356294 /nfs/dbraw/zinc/35/62/94/662356294.db2.gz JDHXFCXUPZKYQI-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000903738102 662356291 /nfs/dbraw/zinc/35/62/91/662356291.db2.gz JDHXFCXUPZKYQI-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000903738103 662356524 /nfs/dbraw/zinc/35/65/24/662356524.db2.gz JDHXFCXUPZKYQI-XHSDSOJGSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000903738103 662356522 /nfs/dbraw/zinc/35/65/22/662356522.db2.gz JDHXFCXUPZKYQI-XHSDSOJGSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H]1CC[NH3+] ZINC000903741907 662356946 /nfs/dbraw/zinc/35/69/46/662356946.db2.gz JDBWDZQPBAVNAX-HUUCEWRRSA-N 2 1 354.495 -0.265 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742425 662356725 /nfs/dbraw/zinc/35/67/25/662356725.db2.gz NRKYVAMYYBSVIA-CABCVRRESA-N 2 1 351.495 -0.580 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742426 662356763 /nfs/dbraw/zinc/35/67/63/662356763.db2.gz NRKYVAMYYBSVIA-GJZGRUSLSA-N 2 1 351.495 -0.580 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742427 662356878 /nfs/dbraw/zinc/35/68/78/662356878.db2.gz NRKYVAMYYBSVIA-HUUCEWRRSA-N 2 1 351.495 -0.580 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742428 662356712 /nfs/dbraw/zinc/35/67/12/662356712.db2.gz NRKYVAMYYBSVIA-LSDHHAIUSA-N 2 1 351.495 -0.580 20 0 FBADMP CN(CC(C)(C)O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903743592 662356891 /nfs/dbraw/zinc/35/68/91/662356891.db2.gz VKTCYTTWRRXHSO-GASCZTMLSA-N 2 1 352.479 -0.357 20 0 FBADMP CN(CC(C)(C)O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903743592 662356888 /nfs/dbraw/zinc/35/68/88/662356888.db2.gz VKTCYTTWRRXHSO-GASCZTMLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903744781 662357204 /nfs/dbraw/zinc/35/72/04/662357204.db2.gz QHYIUDIUZGDLNN-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903744781 662357202 /nfs/dbraw/zinc/35/72/02/662357202.db2.gz QHYIUDIUZGDLNN-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903744782 662357184 /nfs/dbraw/zinc/35/71/84/662357184.db2.gz QHYIUDIUZGDLNN-CWRNSKLLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903744782 662357181 /nfs/dbraw/zinc/35/71/81/662357181.db2.gz QHYIUDIUZGDLNN-CWRNSKLLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1CC[NH3+] ZINC000903746590 662357275 /nfs/dbraw/zinc/35/72/75/662357275.db2.gz DQVNRMLMGJCIBJ-HUUCEWRRSA-N 2 1 352.479 -0.247 20 0 FBADMP CCOCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903747195 662357313 /nfs/dbraw/zinc/35/73/13/662357313.db2.gz LETDCHSYBNZWNY-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP CCOCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903747195 662357312 /nfs/dbraw/zinc/35/73/12/662357312.db2.gz LETDCHSYBNZWNY-IYBDPMFKSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(CCCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903749961 662357564 /nfs/dbraw/zinc/35/75/64/662357564.db2.gz DEHDDVUZYXXBGK-IYBDPMFKSA-N 2 1 352.479 -0.356 20 0 FBADMP CCN(CCCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903749961 662357561 /nfs/dbraw/zinc/35/75/61/662357561.db2.gz DEHDDVUZYXXBGK-IYBDPMFKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903750501 662357640 /nfs/dbraw/zinc/35/76/40/662357640.db2.gz MBUOEYAKEMXJCZ-DZGCQCFKSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903750502 662357584 /nfs/dbraw/zinc/35/75/84/662357584.db2.gz MBUOEYAKEMXJCZ-HIFRSBDPSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903750503 662357712 /nfs/dbraw/zinc/35/77/12/662357712.db2.gz MBUOEYAKEMXJCZ-UKRRQHHQSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903750504 662357691 /nfs/dbraw/zinc/35/76/91/662357691.db2.gz MBUOEYAKEMXJCZ-ZFWWWQNUSA-N 2 1 352.479 -0.106 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903754410 662357829 /nfs/dbraw/zinc/35/78/29/662357829.db2.gz HQCIFKNEFFWYTD-AWEZNQCLSA-N 2 1 354.495 -0.001 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903754411 662357612 /nfs/dbraw/zinc/35/76/12/662357612.db2.gz HQCIFKNEFFWYTD-CQSZACIVSA-N 2 1 354.495 -0.001 20 0 FBADMP CN(CCCCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903755038 662357623 /nfs/dbraw/zinc/35/76/23/662357623.db2.gz YRCOCWLEDUSRNL-IYBDPMFKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN(CCCCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903755038 662357619 /nfs/dbraw/zinc/35/76/19/662357619.db2.gz YRCOCWLEDUSRNL-IYBDPMFKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC000903755603 662357676 /nfs/dbraw/zinc/35/76/76/662357676.db2.gz AJFAHCLJQJVKGG-BZUAXINKSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC000903755604 662357741 /nfs/dbraw/zinc/35/77/41/662357741.db2.gz AJFAHCLJQJVKGG-OWCLPIDISA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903756403 662358156 /nfs/dbraw/zinc/35/81/56/662358156.db2.gz MSUVUDJAKSTLTG-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903756403 662358151 /nfs/dbraw/zinc/35/81/51/662358151.db2.gz MSUVUDJAKSTLTG-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903756407 662358190 /nfs/dbraw/zinc/35/81/90/662358190.db2.gz MSUVUDJAKSTLTG-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903756407 662358187 /nfs/dbraw/zinc/35/81/87/662358187.db2.gz MSUVUDJAKSTLTG-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903758997 662358512 /nfs/dbraw/zinc/35/85/12/662358512.db2.gz MFHBLVMFPIUFQN-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903758997 662358509 /nfs/dbraw/zinc/35/85/09/662358509.db2.gz MFHBLVMFPIUFQN-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1CC[NH3+] ZINC000903758998 662358649 /nfs/dbraw/zinc/35/86/49/662358649.db2.gz MFHBLVMFPIUFQN-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@H]1CC[NH3+] ZINC000903758998 662358647 /nfs/dbraw/zinc/35/86/47/662358647.db2.gz MFHBLVMFPIUFQN-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903767502 662359454 /nfs/dbraw/zinc/35/94/54/662359454.db2.gz NCNCGPIPVUPXBT-HUUCEWRRSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769575 662359387 /nfs/dbraw/zinc/35/93/87/662359387.db2.gz JQWJQERJFVJKKK-INIZCTEOSA-N 2 1 352.479 -0.185 20 0 FBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769576 662359426 /nfs/dbraw/zinc/35/94/26/662359426.db2.gz JQWJQERJFVJKKK-MRXNPFEDSA-N 2 1 352.479 -0.185 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000903769930 662359488 /nfs/dbraw/zinc/35/94/88/662359488.db2.gz AHJOEMSJZOQIGZ-IRCOFANPSA-N 2 1 364.368 -0.998 20 0 FBADMP [NH3+][C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000903769931 662359351 /nfs/dbraw/zinc/35/93/51/662359351.db2.gz AHJOEMSJZOQIGZ-QCNOEVLYSA-N 2 1 364.368 -0.998 20 0 FBADMP [NH3+][C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000903769932 662359995 /nfs/dbraw/zinc/35/99/95/662359995.db2.gz AHJOEMSJZOQIGZ-USZNOCQGSA-N 2 1 364.368 -0.998 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000903769933 662359840 /nfs/dbraw/zinc/35/98/40/662359840.db2.gz AHJOEMSJZOQIGZ-WHOHXGKFSA-N 2 1 364.368 -0.998 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903778796 662360581 /nfs/dbraw/zinc/36/05/81/662360581.db2.gz SEBSVESYSXSXNW-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1CC[NH3+] ZINC000903778796 662360580 /nfs/dbraw/zinc/36/05/80/662360580.db2.gz SEBSVESYSXSXNW-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@H+]1CCO ZINC000903779704 662360650 /nfs/dbraw/zinc/36/06/50/662360650.db2.gz KLHJSLWHSZSQAG-GHMZBOCLSA-N 2 1 366.384 -0.751 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1CCO ZINC000903779704 662360647 /nfs/dbraw/zinc/36/06/47/662360647.db2.gz KLHJSLWHSZSQAG-GHMZBOCLSA-N 2 1 366.384 -0.751 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000903780239 662360571 /nfs/dbraw/zinc/36/05/71/662360571.db2.gz WKMXFQAUHWCXFQ-WRWGMCAJSA-N 2 1 366.384 -0.752 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000903780239 662360569 /nfs/dbraw/zinc/36/05/69/662360569.db2.gz WKMXFQAUHWCXFQ-WRWGMCAJSA-N 2 1 366.384 -0.752 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000903782815 662360588 /nfs/dbraw/zinc/36/05/88/662360588.db2.gz HCXMKXIRYQRKCK-INIZCTEOSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000903783097 662360698 /nfs/dbraw/zinc/36/06/98/662360698.db2.gz NQMXUTDLSBEGPF-INIZCTEOSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000903784634 662360656 /nfs/dbraw/zinc/36/06/56/662360656.db2.gz CKOFBKJUPHKXFG-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000903784635 662361065 /nfs/dbraw/zinc/36/10/65/662361065.db2.gz CKOFBKJUPHKXFG-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000903784655 662361099 /nfs/dbraw/zinc/36/10/99/662361099.db2.gz DHXLLAJWUSWGDO-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000903784986 662361092 /nfs/dbraw/zinc/36/10/92/662361092.db2.gz HQAXADSRSSQJKE-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000903784986 662361090 /nfs/dbraw/zinc/36/10/90/662361090.db2.gz HQAXADSRSSQJKE-INIZCTEOSA-N 2 1 355.527 -0.071 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000903785295 662361107 /nfs/dbraw/zinc/36/11/07/662361107.db2.gz JULIEKGEEHCQDG-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000903785295 662361104 /nfs/dbraw/zinc/36/11/04/662361104.db2.gz JULIEKGEEHCQDG-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000903785297 662360895 /nfs/dbraw/zinc/36/08/95/662360895.db2.gz JULIEKGEEHCQDG-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000903785297 662360889 /nfs/dbraw/zinc/36/08/89/662360889.db2.gz JULIEKGEEHCQDG-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP O=S(=O)(C1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903786973 662360901 /nfs/dbraw/zinc/36/09/01/662360901.db2.gz RXBPVYDQZLDCQV-AWEZNQCLSA-N 2 1 358.508 -0.936 20 0 FBADMP O=S(=O)(C1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903786974 662360917 /nfs/dbraw/zinc/36/09/17/662360917.db2.gz RXBPVYDQZLDCQV-CQSZACIVSA-N 2 1 358.508 -0.936 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)C2(C[NH3+])CCOCC2)C1 ZINC000903808791 662361877 /nfs/dbraw/zinc/36/18/77/662361877.db2.gz UFGZYDALJWKEDD-INIZCTEOSA-N 2 1 356.511 -0.101 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C2(C[NH3+])CCOCC2)C1 ZINC000903808792 662361831 /nfs/dbraw/zinc/36/18/31/662361831.db2.gz UFGZYDALJWKEDD-MRXNPFEDSA-N 2 1 356.511 -0.101 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)C ZINC000903809321 662361908 /nfs/dbraw/zinc/36/19/08/662361908.db2.gz QNJVBBVUBZAYFN-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000903809321 662361906 /nfs/dbraw/zinc/36/19/06/662361906.db2.gz QNJVBBVUBZAYFN-UHFFFAOYSA-N 2 1 355.527 -0.073 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000903810656 662361791 /nfs/dbraw/zinc/36/17/91/662361791.db2.gz CXBXSVPVDWNMGI-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000903810657 662361690 /nfs/dbraw/zinc/36/16/90/662361690.db2.gz CXBXSVPVDWNMGI-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000903836109 662363146 /nfs/dbraw/zinc/36/31/46/662363146.db2.gz DBZNZMDQQUYKNK-DLBZAZTESA-N 2 1 356.511 -0.230 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000903836110 662363171 /nfs/dbraw/zinc/36/31/71/662363171.db2.gz DBZNZMDQQUYKNK-IAGOWNOFSA-N 2 1 356.511 -0.230 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000903836111 662363012 /nfs/dbraw/zinc/36/30/12/662363012.db2.gz DBZNZMDQQUYKNK-IRXDYDNUSA-N 2 1 356.511 -0.230 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000903836112 662362956 /nfs/dbraw/zinc/36/29/56/662362956.db2.gz DBZNZMDQQUYKNK-SJORKVTESA-N 2 1 356.511 -0.230 20 0 FBADMP O=S(=O)(C1CN(Cc2cccc3c2CC[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000903874246 662363396 /nfs/dbraw/zinc/36/33/96/662363396.db2.gz VYFITUFEDPCUKR-UHFFFAOYSA-N 2 1 350.488 -0.249 20 0 FBADMP COCC(COC)[NH+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903929278 662364614 /nfs/dbraw/zinc/36/46/14/662364614.db2.gz DCEZAUGNODBRNP-HNNXBMFYSA-N 2 1 352.483 -0.018 20 0 FBADMP COCC(COC)[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903929279 662364760 /nfs/dbraw/zinc/36/47/60/662364760.db2.gz DCEZAUGNODBRNP-OAHLLOKOSA-N 2 1 352.483 -0.018 20 0 FBADMP COCCOCC[NH+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903931561 662364620 /nfs/dbraw/zinc/36/46/20/662364620.db2.gz FFDHNESWUVRYGI-INIZCTEOSA-N 2 1 352.483 -0.017 20 0 FBADMP COCCOCC[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903931562 662364683 /nfs/dbraw/zinc/36/46/83/662364683.db2.gz FFDHNESWUVRYGI-MRXNPFEDSA-N 2 1 352.483 -0.017 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)C[C@]2(C)C1 ZINC000904956095 660009227 /nfs/dbraw/zinc/00/92/27/660009227.db2.gz KVWZOERHSZMLPJ-KDOFPFPSSA-N 2 1 352.479 -0.247 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000904962034 660009514 /nfs/dbraw/zinc/00/95/14/660009514.db2.gz SXKWZUPVMVBNGM-KBXCAEBGSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000904962183 660009397 /nfs/dbraw/zinc/00/93/97/660009397.db2.gz VPAUTQDISISFSE-LSDHHAIUSA-N 2 1 352.479 -0.513 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965766 660009420 /nfs/dbraw/zinc/00/94/20/660009420.db2.gz DFKMNDRKPOFGKC-BLTAXRJOSA-N 2 1 362.396 -0.008 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965769 660009472 /nfs/dbraw/zinc/00/94/72/660009472.db2.gz DFKMNDRKPOFGKC-FJJYHAOUSA-N 2 1 362.396 -0.008 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904965771 660009411 /nfs/dbraw/zinc/00/94/11/660009411.db2.gz DFKMNDRKPOFGKC-OXIQGZBJSA-N 2 1 362.396 -0.008 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965772 660009449 /nfs/dbraw/zinc/00/94/49/660009449.db2.gz DFKMNDRKPOFGKC-YFCNSXCBSA-N 2 1 362.396 -0.008 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1(C[NH3+])CCOCC1 ZINC000904968467 660008365 /nfs/dbraw/zinc/00/83/65/660008365.db2.gz ALPFWSOICZRVBP-KRWDZBQOSA-N 2 1 352.479 -0.103 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1(C[NH3+])CCOCC1 ZINC000904968469 660008358 /nfs/dbraw/zinc/00/83/58/660008358.db2.gz ALPFWSOICZRVBP-QGZVFWFLSA-N 2 1 352.479 -0.103 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968569 660008335 /nfs/dbraw/zinc/00/83/35/660008335.db2.gz DALZQNDBTJVMAS-CABCVRRESA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968570 660008350 /nfs/dbraw/zinc/00/83/50/660008350.db2.gz DALZQNDBTJVMAS-GJZGRUSLSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968571 660008253 /nfs/dbraw/zinc/00/82/53/660008253.db2.gz DALZQNDBTJVMAS-HUUCEWRRSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968572 660008298 /nfs/dbraw/zinc/00/82/98/660008298.db2.gz DALZQNDBTJVMAS-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000904969178 660008327 /nfs/dbraw/zinc/00/83/27/660008327.db2.gz AZWJHXQNLPAWMM-KBXCAEBGSA-N 2 1 352.479 -0.369 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000904969180 660008285 /nfs/dbraw/zinc/00/82/85/660008285.db2.gz AZWJHXQNLPAWMM-KDOFPFPSSA-N 2 1 352.479 -0.369 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000904969182 660008353 /nfs/dbraw/zinc/00/83/53/660008353.db2.gz AZWJHXQNLPAWMM-KSSFIOAISA-N 2 1 352.479 -0.369 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000904969184 660008247 /nfs/dbraw/zinc/00/82/47/660008247.db2.gz AZWJHXQNLPAWMM-RDTXWAMCSA-N 2 1 352.479 -0.369 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000904974516 660008534 /nfs/dbraw/zinc/00/85/34/660008534.db2.gz SRSKZOZVPYOUMO-BASYENTBSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000904974516 660008526 /nfs/dbraw/zinc/00/85/26/660008526.db2.gz SRSKZOZVPYOUMO-BASYENTBSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000904974518 660008478 /nfs/dbraw/zinc/00/84/78/660008478.db2.gz SRSKZOZVPYOUMO-FSZRXZPDSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000904974518 660008475 /nfs/dbraw/zinc/00/84/75/660008475.db2.gz SRSKZOZVPYOUMO-FSZRXZPDSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000904974520 660008451 /nfs/dbraw/zinc/00/84/51/660008451.db2.gz SRSKZOZVPYOUMO-JTOWHCCKSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000904974520 660008449 /nfs/dbraw/zinc/00/84/49/660008449.db2.gz SRSKZOZVPYOUMO-JTOWHCCKSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000904974522 660008609 /nfs/dbraw/zinc/00/86/09/660008609.db2.gz SRSKZOZVPYOUMO-KRXQYRFLSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000904974522 660008606 /nfs/dbraw/zinc/00/86/06/660008606.db2.gz SRSKZOZVPYOUMO-KRXQYRFLSA-N 2 1 352.479 -0.370 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC[N@H+]1CCO ZINC000904976355 660008523 /nfs/dbraw/zinc/00/85/23/660008523.db2.gz YECFCHYZKCYWPF-KBXCAEBGSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC[N@@H+]1CCO ZINC000904976355 660008520 /nfs/dbraw/zinc/00/85/20/660008520.db2.gz YECFCHYZKCYWPF-KBXCAEBGSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC[N@H+]1CCO ZINC000904976356 660008470 /nfs/dbraw/zinc/00/84/70/660008470.db2.gz YECFCHYZKCYWPF-KDOFPFPSSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC[N@@H+]1CCO ZINC000904976356 660008467 /nfs/dbraw/zinc/00/84/67/660008467.db2.gz YECFCHYZKCYWPF-KDOFPFPSSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC[N@H+]1CCO ZINC000904976357 660008716 /nfs/dbraw/zinc/00/87/16/660008716.db2.gz YECFCHYZKCYWPF-KSSFIOAISA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC[N@@H+]1CCO ZINC000904976357 660008715 /nfs/dbraw/zinc/00/87/15/660008715.db2.gz YECFCHYZKCYWPF-KSSFIOAISA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC[N@H+]1CCO ZINC000904976358 660008839 /nfs/dbraw/zinc/00/88/39/660008839.db2.gz YECFCHYZKCYWPF-RDTXWAMCSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC[N@@H+]1CCO ZINC000904976358 660008836 /nfs/dbraw/zinc/00/88/36/660008836.db2.gz YECFCHYZKCYWPF-RDTXWAMCSA-N 2 1 352.479 -0.369 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904979553 660008734 /nfs/dbraw/zinc/00/87/34/660008734.db2.gz FOACFQUIDPMNLX-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C[C@H](C)[N@@H+]1C ZINC000904984286 660009038 /nfs/dbraw/zinc/00/90/38/660009038.db2.gz QPVCSQJKMUYNAG-GASCZTMLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C[C@H](C)[N@H+]1C ZINC000904984286 660009036 /nfs/dbraw/zinc/00/90/36/660009036.db2.gz QPVCSQJKMUYNAG-GASCZTMLSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1(C)C ZINC000904984301 660009064 /nfs/dbraw/zinc/00/90/64/660009064.db2.gz WYERCHROGOYGQD-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1(C)C ZINC000904984301 660009063 /nfs/dbraw/zinc/00/90/63/660009063.db2.gz WYERCHROGOYGQD-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC000904985025 660008956 /nfs/dbraw/zinc/00/89/56/660008956.db2.gz URHKROHFUXTWSR-UHFFFAOYSA-N 2 1 352.479 -0.090 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904985487 660011063 /nfs/dbraw/zinc/01/10/63/660011063.db2.gz BBGQITIDHMQHLM-CVEARBPZSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904985488 660010959 /nfs/dbraw/zinc/01/09/59/660010959.db2.gz BBGQITIDHMQHLM-HOTGVXAUSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904985489 660011017 /nfs/dbraw/zinc/01/10/17/660011017.db2.gz BBGQITIDHMQHLM-HZPDHXFCSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904985490 660011267 /nfs/dbraw/zinc/01/12/67/660011267.db2.gz BBGQITIDHMQHLM-JKSUJKDBSA-N 2 1 352.479 -0.369 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985525 660011233 /nfs/dbraw/zinc/01/12/33/660011233.db2.gz CBSKIDROXYATEC-FPCVCCKLSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985526 660011317 /nfs/dbraw/zinc/01/13/17/660011317.db2.gz CBSKIDROXYATEC-KLHDSHLOSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985527 660011220 /nfs/dbraw/zinc/01/12/20/660011220.db2.gz CBSKIDROXYATEC-LVQVYYBASA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985528 660011307 /nfs/dbraw/zinc/01/13/07/660011307.db2.gz CBSKIDROXYATEC-WCVJEAGWSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H]1C[NH3+] ZINC000904985626 660011255 /nfs/dbraw/zinc/01/12/55/660011255.db2.gz CLVZCVWYCCHYDG-FPCVCCKLSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H]1C[NH3+] ZINC000904985627 660011189 /nfs/dbraw/zinc/01/11/89/660011189.db2.gz CLVZCVWYCCHYDG-KLHDSHLOSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@@H]1C[NH3+] ZINC000904985628 660011355 /nfs/dbraw/zinc/01/13/55/660011355.db2.gz CLVZCVWYCCHYDG-QKPAOTATSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@@H]1C[NH3+] ZINC000904985629 660011195 /nfs/dbraw/zinc/01/11/95/660011195.db2.gz CLVZCVWYCCHYDG-QXSJWSMHSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904986250 660011340 /nfs/dbraw/zinc/01/13/40/660011340.db2.gz IIDCBSWCUDUIBP-FZKCQIBNSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904986251 660011201 /nfs/dbraw/zinc/01/12/01/660011201.db2.gz IIDCBSWCUDUIBP-JJXSEGSLSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904986252 660011179 /nfs/dbraw/zinc/01/11/79/660011179.db2.gz IIDCBSWCUDUIBP-XUWVNRHRSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904986253 660011283 /nfs/dbraw/zinc/01/12/83/660011283.db2.gz IIDCBSWCUDUIBP-ZJIFWQFVSA-N 2 1 352.479 -0.370 20 0 FBADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904986321 660011204 /nfs/dbraw/zinc/01/12/04/660011204.db2.gz HQWGHKOLNBEYQR-ARFHVFGLSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904986322 660011176 /nfs/dbraw/zinc/01/11/76/660011176.db2.gz HQWGHKOLNBEYQR-HRCADAONSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904986323 660011290 /nfs/dbraw/zinc/01/12/90/660011290.db2.gz HQWGHKOLNBEYQR-JYJNAYRXSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904986324 660011263 /nfs/dbraw/zinc/01/12/63/660011263.db2.gz HQWGHKOLNBEYQR-XHSDSOJGSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC000904986399 660011192 /nfs/dbraw/zinc/01/11/92/660011192.db2.gz IBLUVTVCVQLKBE-ADAWSYLGSA-N 2 1 350.463 -0.616 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC000904986404 660011242 /nfs/dbraw/zinc/01/12/42/660011242.db2.gz IBLUVTVCVQLKBE-BSXFFOKHSA-N 2 1 350.463 -0.616 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC000904986405 660011186 /nfs/dbraw/zinc/01/11/86/660011186.db2.gz IBLUVTVCVQLKBE-FSZRXZPDSA-N 2 1 350.463 -0.616 20 0 FBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC000904986406 660011225 /nfs/dbraw/zinc/01/12/25/660011225.db2.gz IBLUVTVCVQLKBE-LLDVTBCESA-N 2 1 350.463 -0.616 20 0 FBADMP O=C(C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986707 660011249 /nfs/dbraw/zinc/01/12/49/660011249.db2.gz KCMPFVTVSBGBAC-FZKCQIBNSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986709 660011349 /nfs/dbraw/zinc/01/13/49/660011349.db2.gz KCMPFVTVSBGBAC-JJXSEGSLSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986711 660011208 /nfs/dbraw/zinc/01/12/08/660011208.db2.gz KCMPFVTVSBGBAC-XUWVNRHRSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986713 660011299 /nfs/dbraw/zinc/01/12/99/660011299.db2.gz KCMPFVTVSBGBAC-ZJIFWQFVSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC000904986895 660011335 /nfs/dbraw/zinc/01/13/35/660011335.db2.gz KXXPIPYQUAPKCJ-JTOWHCCKSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC000904986896 660011585 /nfs/dbraw/zinc/01/15/85/660011585.db2.gz KXXPIPYQUAPKCJ-LUXYFRNMSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC000904986897 660011540 /nfs/dbraw/zinc/01/15/40/660011540.db2.gz KXXPIPYQUAPKCJ-OIPACUDHSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC000904986898 660011578 /nfs/dbraw/zinc/01/15/78/660011578.db2.gz KXXPIPYQUAPKCJ-YRBFXIGRSA-N 2 1 350.463 -0.888 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@H]1[NH3+] ZINC000904987260 660011530 /nfs/dbraw/zinc/01/15/30/660011530.db2.gz OFVIZUHQHBIOHS-FPCVCCKLSA-N 2 1 352.479 -0.370 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[C@H]1[NH3+] ZINC000904987261 660011604 /nfs/dbraw/zinc/01/16/04/660011604.db2.gz OFVIZUHQHBIOHS-KLHDSHLOSA-N 2 1 352.479 -0.370 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904987262 660011564 /nfs/dbraw/zinc/01/15/64/660011564.db2.gz OFVIZUHQHBIOHS-QKPAOTATSA-N 2 1 352.479 -0.370 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904987263 660011454 /nfs/dbraw/zinc/01/14/54/660011454.db2.gz OFVIZUHQHBIOHS-QXSJWSMHSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@@H]1C[NH3+] ZINC000904987623 660011430 /nfs/dbraw/zinc/01/14/30/660011430.db2.gz QILOKELPXIHMCR-FPCVCCKLSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[C@@H]1C[NH3+] ZINC000904987625 660011561 /nfs/dbraw/zinc/01/15/61/660011561.db2.gz QILOKELPXIHMCR-KLHDSHLOSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[C@H]1C[NH3+] ZINC000904987627 660011524 /nfs/dbraw/zinc/01/15/24/660011524.db2.gz QILOKELPXIHMCR-QKPAOTATSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@H]1C[NH3+] ZINC000904987629 660011422 /nfs/dbraw/zinc/01/14/22/660011422.db2.gz QILOKELPXIHMCR-QXSJWSMHSA-N 2 1 352.479 -0.513 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989519 660011408 /nfs/dbraw/zinc/01/14/08/660011408.db2.gz ZHHVPHVZYUHLKC-BZUAXINKSA-N 2 1 352.479 -0.226 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989521 660011395 /nfs/dbraw/zinc/01/13/95/660011395.db2.gz ZHHVPHVZYUHLKC-OAGGEKHMSA-N 2 1 352.479 -0.226 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989523 660011613 /nfs/dbraw/zinc/01/16/13/660011613.db2.gz ZHHVPHVZYUHLKC-OWCLPIDISA-N 2 1 352.479 -0.226 20 0 FBADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989525 660011543 /nfs/dbraw/zinc/01/15/43/660011543.db2.gz ZHHVPHVZYUHLKC-PMPSAXMXSA-N 2 1 352.479 -0.226 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989705 660011567 /nfs/dbraw/zinc/01/15/67/660011567.db2.gz NMXQCABIZJLJLC-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989706 660011608 /nfs/dbraw/zinc/01/16/08/660011608.db2.gz NMXQCABIZJLJLC-HRCADAONSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989707 660011518 /nfs/dbraw/zinc/01/15/18/660011518.db2.gz NMXQCABIZJLJLC-JYJNAYRXSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989708 660011557 /nfs/dbraw/zinc/01/15/57/660011557.db2.gz NMXQCABIZJLJLC-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000904990179 660011474 /nfs/dbraw/zinc/01/14/74/660011474.db2.gz OWBIKZNFQPFEJM-IIDMSEBBSA-N 2 1 350.463 -0.602 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000904990184 660011443 /nfs/dbraw/zinc/01/14/43/660011443.db2.gz OWBIKZNFQPFEJM-RKVPGOIHSA-N 2 1 350.463 -0.602 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000904990186 660011597 /nfs/dbraw/zinc/01/15/97/660011597.db2.gz OWBIKZNFQPFEJM-RVKKMQEKSA-N 2 1 350.463 -0.602 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000904990189 660011437 /nfs/dbraw/zinc/01/14/37/660011437.db2.gz OWBIKZNFQPFEJM-VKJFTORMSA-N 2 1 350.463 -0.602 20 0 FBADMP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990201 660011573 /nfs/dbraw/zinc/01/15/73/660011573.db2.gz OZOFCOPRXJAPIO-FPCVCCKLSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990204 660011536 /nfs/dbraw/zinc/01/15/36/660011536.db2.gz OZOFCOPRXJAPIO-JJXSEGSLSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990206 660011552 /nfs/dbraw/zinc/01/15/52/660011552.db2.gz OZOFCOPRXJAPIO-JONQDZQNSA-N 2 1 350.463 -0.746 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990208 660011626 /nfs/dbraw/zinc/01/16/26/660011626.db2.gz OZOFCOPRXJAPIO-QXSJWSMHSA-N 2 1 350.463 -0.746 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904990571 660011484 /nfs/dbraw/zinc/01/14/84/660011484.db2.gz PLYIWSHTKRAXRD-BZUAXINKSA-N 2 1 354.495 -0.124 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990572 660011546 /nfs/dbraw/zinc/01/15/46/660011546.db2.gz PLYIWSHTKRAXRD-OAGGEKHMSA-N 2 1 354.495 -0.124 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904990573 660011594 /nfs/dbraw/zinc/01/15/94/660011594.db2.gz PLYIWSHTKRAXRD-OWCLPIDISA-N 2 1 354.495 -0.124 20 0 FBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990574 660011836 /nfs/dbraw/zinc/01/18/36/660011836.db2.gz PLYIWSHTKRAXRD-PMPSAXMXSA-N 2 1 354.495 -0.124 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990577 660011772 /nfs/dbraw/zinc/01/17/72/660011772.db2.gz PORVLWGXNCIRIM-FZKCQIBNSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990578 660011731 /nfs/dbraw/zinc/01/17/31/660011731.db2.gz PORVLWGXNCIRIM-QKPAOTATSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990579 660011866 /nfs/dbraw/zinc/01/18/66/660011866.db2.gz PORVLWGXNCIRIM-QXSJWSMHSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990580 660011760 /nfs/dbraw/zinc/01/17/60/660011760.db2.gz PORVLWGXNCIRIM-XUWVNRHRSA-N 2 1 350.463 -0.603 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904990611 660011716 /nfs/dbraw/zinc/01/17/16/660011716.db2.gz QDXQNPKGIVGSGM-BPUTZDHNSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904990612 660011746 /nfs/dbraw/zinc/01/17/46/660011746.db2.gz QDXQNPKGIVGSGM-CWRNSKLLSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904990613 660011819 /nfs/dbraw/zinc/01/18/19/660011819.db2.gz QDXQNPKGIVGSGM-IMJJTQAJSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904990614 660011876 /nfs/dbraw/zinc/01/18/76/660011876.db2.gz QDXQNPKGIVGSGM-NUEKZKHPSA-N 2 1 352.479 -0.370 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904991381 660011808 /nfs/dbraw/zinc/01/18/08/660011808.db2.gz VAVIFQOECNOZJB-CVEARBPZSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000904991382 660011858 /nfs/dbraw/zinc/01/18/58/660011858.db2.gz VAVIFQOECNOZJB-HOTGVXAUSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904991384 660011739 /nfs/dbraw/zinc/01/17/39/660011739.db2.gz VAVIFQOECNOZJB-HZPDHXFCSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000904991385 660011844 /nfs/dbraw/zinc/01/18/44/660011844.db2.gz VAVIFQOECNOZJB-JKSUJKDBSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904991707 660011827 /nfs/dbraw/zinc/01/18/27/660011827.db2.gz XIYXRXIENMSFPJ-IIDMSEBBSA-N 2 1 350.463 -0.744 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000904991710 660011788 /nfs/dbraw/zinc/01/17/88/660011788.db2.gz XIYXRXIENMSFPJ-RKVPGOIHSA-N 2 1 350.463 -0.744 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904991711 660011701 /nfs/dbraw/zinc/01/17/01/660011701.db2.gz XIYXRXIENMSFPJ-RVKKMQEKSA-N 2 1 350.463 -0.744 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000904991712 660011728 /nfs/dbraw/zinc/01/17/28/660011728.db2.gz XIYXRXIENMSFPJ-VKJFTORMSA-N 2 1 350.463 -0.744 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991968 660011754 /nfs/dbraw/zinc/01/17/54/660011754.db2.gz ZZYCJKZFVMJGRW-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991969 660011712 /nfs/dbraw/zinc/01/17/12/660011712.db2.gz ZZYCJKZFVMJGRW-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991970 660011708 /nfs/dbraw/zinc/01/17/08/660011708.db2.gz ZZYCJKZFVMJGRW-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991971 660011955 /nfs/dbraw/zinc/01/19/55/660011955.db2.gz ZZYCJKZFVMJGRW-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000904992612 660012020 /nfs/dbraw/zinc/01/20/20/660012020.db2.gz DOZAMTSPDBXGQM-JONQDZQNSA-N 2 1 350.463 -0.495 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000904992614 660011941 /nfs/dbraw/zinc/01/19/41/660011941.db2.gz DOZAMTSPDBXGQM-QXSJWSMHSA-N 2 1 350.463 -0.495 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000904992615 660011978 /nfs/dbraw/zinc/01/19/78/660011978.db2.gz DOZAMTSPDBXGQM-UGUYLWEFSA-N 2 1 350.463 -0.495 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000904992616 660012038 /nfs/dbraw/zinc/01/20/38/660012038.db2.gz DOZAMTSPDBXGQM-VGWMRTNUSA-N 2 1 350.463 -0.495 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000904995147 660012197 /nfs/dbraw/zinc/01/21/97/660012197.db2.gz JZFLLVGFTVSIQU-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000904995149 660012234 /nfs/dbraw/zinc/01/22/34/660012234.db2.gz JZFLLVGFTVSIQU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000904995150 660012219 /nfs/dbraw/zinc/01/22/19/660012219.db2.gz JZFLLVGFTVSIQU-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000904995152 660012282 /nfs/dbraw/zinc/01/22/82/660012282.db2.gz JZFLLVGFTVSIQU-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000904996447 660009453 /nfs/dbraw/zinc/00/94/53/660009453.db2.gz QACSMUNCBCKXOE-CRAIPNDOSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000904996448 660009486 /nfs/dbraw/zinc/00/94/86/660009486.db2.gz QACSMUNCBCKXOE-MAUKXSAKSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000904996450 660009370 /nfs/dbraw/zinc/00/93/70/660009370.db2.gz QACSMUNCBCKXOE-QAPCUYQASA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000904996451 660009478 /nfs/dbraw/zinc/00/94/78/660009478.db2.gz QACSMUNCBCKXOE-YJBOKZPZSA-N 2 1 352.479 -0.232 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000904997522 660009674 /nfs/dbraw/zinc/00/96/74/660009674.db2.gz SXVOAUHTNJQRIW-HNNXBMFYSA-N 2 1 351.451 -0.123 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000904997524 660009701 /nfs/dbraw/zinc/00/97/01/660009701.db2.gz SXVOAUHTNJQRIW-OAHLLOKOSA-N 2 1 351.451 -0.123 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000904999632 660009698 /nfs/dbraw/zinc/00/96/98/660009698.db2.gz QJYKNVAERUNYIM-DZKIICNBSA-N 2 1 350.463 -0.352 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000904999634 660009661 /nfs/dbraw/zinc/00/96/61/660009661.db2.gz QJYKNVAERUNYIM-LZWOXQAQSA-N 2 1 350.463 -0.352 20 0 FBADMP O=C(NCCN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905004571 660009935 /nfs/dbraw/zinc/00/99/35/660009935.db2.gz OKHYOPKGGQJYSY-CALCHBBNSA-N 2 1 351.495 -0.071 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905005465 660009949 /nfs/dbraw/zinc/00/99/49/660009949.db2.gz DVIGXCPKSAKHPR-KBXCAEBGSA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905005466 660009959 /nfs/dbraw/zinc/00/99/59/660009959.db2.gz DVIGXCPKSAKHPR-KDOFPFPSSA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905005467 660009845 /nfs/dbraw/zinc/00/98/45/660009845.db2.gz DVIGXCPKSAKHPR-KSSFIOAISA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905005468 660009884 /nfs/dbraw/zinc/00/98/84/660009884.db2.gz DVIGXCPKSAKHPR-RDTXWAMCSA-N 2 1 352.479 -0.369 20 0 FBADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905006589 660009851 /nfs/dbraw/zinc/00/98/51/660009851.db2.gz JOGGBKXWEHGBGH-KBXCAEBGSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905006590 660009826 /nfs/dbraw/zinc/00/98/26/660009826.db2.gz JOGGBKXWEHGBGH-KDOFPFPSSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905006591 660010006 /nfs/dbraw/zinc/01/00/06/660010006.db2.gz JOGGBKXWEHGBGH-KSSFIOAISA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905006592 660010068 /nfs/dbraw/zinc/01/00/68/660010068.db2.gz JOGGBKXWEHGBGH-RDTXWAMCSA-N 2 1 350.463 -0.351 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905006703 660010165 /nfs/dbraw/zinc/01/01/65/660010165.db2.gz DTZNXINUWWPIDM-KBXCAEBGSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905006705 660010061 /nfs/dbraw/zinc/01/00/61/660010061.db2.gz DTZNXINUWWPIDM-KDOFPFPSSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905006707 660010132 /nfs/dbraw/zinc/01/01/32/660010132.db2.gz DTZNXINUWWPIDM-KSSFIOAISA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905006709 660010169 /nfs/dbraw/zinc/01/01/69/660010169.db2.gz DTZNXINUWWPIDM-RDTXWAMCSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])CC[NH+](C)C ZINC000905007009 660010094 /nfs/dbraw/zinc/01/00/94/660010094.db2.gz KNHKNZHWPDTDNM-CRAIPNDOSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905007009 660010091 /nfs/dbraw/zinc/01/00/91/660010091.db2.gz KNHKNZHWPDTDNM-CRAIPNDOSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])CC[NH+](C)C ZINC000905007010 660010080 /nfs/dbraw/zinc/01/00/80/660010080.db2.gz KNHKNZHWPDTDNM-MAUKXSAKSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905007010 660010075 /nfs/dbraw/zinc/01/00/75/660010075.db2.gz KNHKNZHWPDTDNM-MAUKXSAKSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])CC[NH+](C)C ZINC000905007011 660010162 /nfs/dbraw/zinc/01/01/62/660010162.db2.gz KNHKNZHWPDTDNM-QAPCUYQASA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905007011 660010160 /nfs/dbraw/zinc/01/01/60/660010160.db2.gz KNHKNZHWPDTDNM-QAPCUYQASA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])CC[NH+](C)C ZINC000905007012 660010110 /nfs/dbraw/zinc/01/01/10/660010110.db2.gz KNHKNZHWPDTDNM-YJBOKZPZSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905007012 660010109 /nfs/dbraw/zinc/01/01/09/660010109.db2.gz KNHKNZHWPDTDNM-YJBOKZPZSA-N 2 1 353.511 -0.332 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000905008007 660010144 /nfs/dbraw/zinc/01/01/44/660010144.db2.gz APBNQLNXKNXMTP-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000905008007 660010143 /nfs/dbraw/zinc/01/01/43/660010143.db2.gz APBNQLNXKNXMTP-KBXCAEBGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000905008008 660010101 /nfs/dbraw/zinc/01/01/01/660010101.db2.gz APBNQLNXKNXMTP-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000905008008 660010099 /nfs/dbraw/zinc/01/00/99/660010099.db2.gz APBNQLNXKNXMTP-KDOFPFPSSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000905008009 660010157 /nfs/dbraw/zinc/01/01/57/660010157.db2.gz APBNQLNXKNXMTP-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000905008009 660010156 /nfs/dbraw/zinc/01/01/56/660010156.db2.gz APBNQLNXKNXMTP-KSSFIOAISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000905008010 660010173 /nfs/dbraw/zinc/01/01/73/660010173.db2.gz APBNQLNXKNXMTP-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000905008010 660010172 /nfs/dbraw/zinc/01/01/72/660010172.db2.gz APBNQLNXKNXMTP-RDTXWAMCSA-N 2 1 352.479 -0.356 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905008269 660010176 /nfs/dbraw/zinc/01/01/76/660010176.db2.gz ONWDMIXUEKDOGC-CRAIPNDOSA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905008276 660010047 /nfs/dbraw/zinc/01/00/47/660010047.db2.gz ONWDMIXUEKDOGC-MAUKXSAKSA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905008279 660010362 /nfs/dbraw/zinc/01/03/62/660010362.db2.gz ONWDMIXUEKDOGC-QAPCUYQASA-N 2 1 351.495 -0.578 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905008282 660010289 /nfs/dbraw/zinc/01/02/89/660010289.db2.gz ONWDMIXUEKDOGC-YJBOKZPZSA-N 2 1 351.495 -0.578 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000905008433 660010395 /nfs/dbraw/zinc/01/03/95/660010395.db2.gz PEEQFJZKPJDNTE-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000905008433 660010394 /nfs/dbraw/zinc/01/03/94/660010394.db2.gz PEEQFJZKPJDNTE-GLJUWKHASA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000905008434 660010427 /nfs/dbraw/zinc/01/04/27/660010427.db2.gz PEEQFJZKPJDNTE-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000905008434 660010426 /nfs/dbraw/zinc/01/04/26/660010426.db2.gz PEEQFJZKPJDNTE-HBUWYVDXSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000905008435 660010326 /nfs/dbraw/zinc/01/03/26/660010326.db2.gz PEEQFJZKPJDNTE-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000905008435 660010325 /nfs/dbraw/zinc/01/03/25/660010325.db2.gz PEEQFJZKPJDNTE-LBTNJELSSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000905008436 660010261 /nfs/dbraw/zinc/01/02/61/660010261.db2.gz PEEQFJZKPJDNTE-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000905008436 660010259 /nfs/dbraw/zinc/01/02/59/660010259.db2.gz PEEQFJZKPJDNTE-QWQRMKEZSA-N 2 1 352.479 -0.370 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905008453 660010373 /nfs/dbraw/zinc/01/03/73/660010373.db2.gz PGKJTZMIDBSZMG-HDMKZQKVSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905008455 660010307 /nfs/dbraw/zinc/01/03/07/660010307.db2.gz PGKJTZMIDBSZMG-IIDMSEBBSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905008457 660010411 /nfs/dbraw/zinc/01/04/11/660010411.db2.gz PGKJTZMIDBSZMG-RLFYNMQTSA-N 2 1 350.463 -0.493 20 0 FBADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905008459 660010381 /nfs/dbraw/zinc/01/03/81/660010381.db2.gz PGKJTZMIDBSZMG-RVKKMQEKSA-N 2 1 350.463 -0.493 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011912 660010404 /nfs/dbraw/zinc/01/04/04/660010404.db2.gz LORIXOYWAGAYFG-GOSISDBHSA-N 2 1 351.495 -0.563 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011913 660010341 /nfs/dbraw/zinc/01/03/41/660010341.db2.gz LORIXOYWAGAYFG-SFHVURJKSA-N 2 1 351.495 -0.563 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)CC[NH+](C)C ZINC000905012381 660010586 /nfs/dbraw/zinc/01/05/86/660010586.db2.gz MOZCGZKUKSXKMW-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905012381 660010585 /nfs/dbraw/zinc/01/05/85/660010585.db2.gz MOZCGZKUKSXKMW-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)CC[NH+](C)C ZINC000905012382 660010555 /nfs/dbraw/zinc/01/05/55/660010555.db2.gz MOZCGZKUKSXKMW-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905012382 660010553 /nfs/dbraw/zinc/01/05/53/660010553.db2.gz MOZCGZKUKSXKMW-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905013579 660010560 /nfs/dbraw/zinc/01/05/60/660010560.db2.gz QRBMTDOFLXDHSA-GOSISDBHSA-N 2 1 352.479 -0.354 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905013581 660010641 /nfs/dbraw/zinc/01/06/41/660010641.db2.gz QRBMTDOFLXDHSA-SFHVURJKSA-N 2 1 352.479 -0.354 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905014228 660010629 /nfs/dbraw/zinc/01/06/29/660010629.db2.gz VNYWHPQMXGVVIR-GOSISDBHSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905014231 660010637 /nfs/dbraw/zinc/01/06/37/660010637.db2.gz VNYWHPQMXGVVIR-SFHVURJKSA-N 2 1 352.479 -0.090 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000905014273 660010614 /nfs/dbraw/zinc/01/06/14/660010614.db2.gz VZKBSXALINFWSR-CRAIPNDOSA-N 2 1 350.463 -0.478 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000905014274 660010650 /nfs/dbraw/zinc/01/06/50/660010650.db2.gz VZKBSXALINFWSR-MAUKXSAKSA-N 2 1 350.463 -0.478 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905014275 660010583 /nfs/dbraw/zinc/01/05/83/660010583.db2.gz VZKBSXALINFWSR-QAPCUYQASA-N 2 1 350.463 -0.478 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905014276 660010523 /nfs/dbraw/zinc/01/05/23/660010523.db2.gz VZKBSXALINFWSR-YJBOKZPZSA-N 2 1 350.463 -0.478 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000905014791 660010843 /nfs/dbraw/zinc/01/08/43/660010843.db2.gz RXKMRWPMQUIFPB-GOSISDBHSA-N 2 1 350.463 -0.336 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905014792 660010814 /nfs/dbraw/zinc/01/08/14/660010814.db2.gz RXKMRWPMQUIFPB-SFHVURJKSA-N 2 1 350.463 -0.336 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000905021882 660012399 /nfs/dbraw/zinc/01/23/99/660012399.db2.gz ORGXSLSYZMUJPB-CVEARBPZSA-N 2 1 352.479 -0.377 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000905021883 660012451 /nfs/dbraw/zinc/01/24/51/660012451.db2.gz ORGXSLSYZMUJPB-HOTGVXAUSA-N 2 1 352.479 -0.377 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000905021886 660012417 /nfs/dbraw/zinc/01/24/17/660012417.db2.gz ORGXSLSYZMUJPB-HZPDHXFCSA-N 2 1 352.479 -0.377 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000905021888 660012406 /nfs/dbraw/zinc/01/24/06/660012406.db2.gz ORGXSLSYZMUJPB-JKSUJKDBSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905340787 660016545 /nfs/dbraw/zinc/01/65/45/660016545.db2.gz PPPINEYOTNVMPT-HNNXBMFYSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905340787 660016498 /nfs/dbraw/zinc/01/64/98/660016498.db2.gz PPPINEYOTNVMPT-HNNXBMFYSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905340788 660017018 /nfs/dbraw/zinc/01/70/18/660017018.db2.gz PPPINEYOTNVMPT-OAHLLOKOSA-N 2 1 360.524 -0.152 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905340788 660017016 /nfs/dbraw/zinc/01/70/16/660017016.db2.gz PPPINEYOTNVMPT-OAHLLOKOSA-N 2 1 360.524 -0.152 20 0 FBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905361498 660015847 /nfs/dbraw/zinc/01/58/47/660015847.db2.gz GSLQJLAVTIWERV-KRWDZBQOSA-N 2 1 374.551 -0.298 20 0 FBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905361498 660015809 /nfs/dbraw/zinc/01/58/09/660015809.db2.gz GSLQJLAVTIWERV-KRWDZBQOSA-N 2 1 374.551 -0.298 20 0 FBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905361501 660016807 /nfs/dbraw/zinc/01/68/07/660016807.db2.gz GSLQJLAVTIWERV-QGZVFWFLSA-N 2 1 374.551 -0.298 20 0 FBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905361501 660016806 /nfs/dbraw/zinc/01/68/06/660016806.db2.gz GSLQJLAVTIWERV-QGZVFWFLSA-N 2 1 374.551 -0.298 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906173155 660019907 /nfs/dbraw/zinc/01/99/07/660019907.db2.gz ZXWVHEYCEQDBHB-UHFFFAOYSA-N 2 1 354.495 -0.129 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000906512080 660020821 /nfs/dbraw/zinc/02/08/21/660020821.db2.gz NPJHQVDJTORVQT-INIZCTEOSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000906512080 660020819 /nfs/dbraw/zinc/02/08/19/660020819.db2.gz NPJHQVDJTORVQT-INIZCTEOSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000906512080 660020818 /nfs/dbraw/zinc/02/08/18/660020818.db2.gz NPJHQVDJTORVQT-INIZCTEOSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000906512082 660020886 /nfs/dbraw/zinc/02/08/86/660020886.db2.gz NPJHQVDJTORVQT-MRXNPFEDSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000906512082 660020884 /nfs/dbraw/zinc/02/08/84/660020884.db2.gz NPJHQVDJTORVQT-MRXNPFEDSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000906512082 660020882 /nfs/dbraw/zinc/02/08/82/660020882.db2.gz NPJHQVDJTORVQT-MRXNPFEDSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561217 660021055 /nfs/dbraw/zinc/02/10/55/660021055.db2.gz VXNDHOLEPWGWSG-UHFFFAOYSA-N 2 1 351.495 -0.754 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906569153 660021314 /nfs/dbraw/zinc/02/13/14/660021314.db2.gz KVZLQQZWDVEQHI-UHFFFAOYSA-N 2 1 353.511 -0.508 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000906628866 660021500 /nfs/dbraw/zinc/02/15/00/660021500.db2.gz DRWDKDDOUWPDCN-UHFFFAOYSA-N 2 1 351.539 -0.034 20 0 FBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906632047 660021668 /nfs/dbraw/zinc/02/16/68/660021668.db2.gz LTDIFZIRDBZCEQ-UHFFFAOYSA-N 2 1 353.511 -0.461 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000906683574 660021559 /nfs/dbraw/zinc/02/15/59/660021559.db2.gz NQFHAIPMAGFXJJ-UHFFFAOYSA-N 2 1 353.511 -0.604 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906714152 660021971 /nfs/dbraw/zinc/02/19/71/660021971.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906714152 660021970 /nfs/dbraw/zinc/02/19/70/660021970.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906714152 660021968 /nfs/dbraw/zinc/02/19/68/660021968.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906714153 660021837 /nfs/dbraw/zinc/02/18/37/660021837.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906714153 660021834 /nfs/dbraw/zinc/02/18/34/660021834.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906714153 660021832 /nfs/dbraw/zinc/02/18/32/660021832.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 2 1 353.511 -0.998 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000907043000 660024592 /nfs/dbraw/zinc/02/45/92/660024592.db2.gz LQZIUFNXWIKOQM-INIZCTEOSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907043000 660024591 /nfs/dbraw/zinc/02/45/91/660024591.db2.gz LQZIUFNXWIKOQM-INIZCTEOSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907043000 660024589 /nfs/dbraw/zinc/02/45/89/660024589.db2.gz LQZIUFNXWIKOQM-INIZCTEOSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000907043006 660024488 /nfs/dbraw/zinc/02/44/88/660024488.db2.gz LQZIUFNXWIKOQM-MRXNPFEDSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[NH+](C)CC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907043006 660024485 /nfs/dbraw/zinc/02/44/85/660024485.db2.gz LQZIUFNXWIKOQM-MRXNPFEDSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907043006 660024481 /nfs/dbraw/zinc/02/44/81/660024481.db2.gz LQZIUFNXWIKOQM-MRXNPFEDSA-N 2 1 351.495 -0.755 20 0 FBADMP CC(C)C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)NCC[NH+](C)C ZINC000907149711 660026300 /nfs/dbraw/zinc/02/63/00/660026300.db2.gz NZVOTLODULCJHO-INIZCTEOSA-N 2 1 355.527 -0.312 20 0 FBADMP C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000907177026 660026282 /nfs/dbraw/zinc/02/62/82/660026282.db2.gz QQSQGFOPPICILF-AEFFLSMTSA-N 2 1 351.539 -0.036 20 0 FBADMP C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000907177028 660026343 /nfs/dbraw/zinc/02/63/43/660026343.db2.gz QQSQGFOPPICILF-FUHWJXTLSA-N 2 1 351.539 -0.036 20 0 FBADMP C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000907177030 660026385 /nfs/dbraw/zinc/02/63/85/660026385.db2.gz QQSQGFOPPICILF-SJLPKXTDSA-N 2 1 351.539 -0.036 20 0 FBADMP C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000907177032 660026319 /nfs/dbraw/zinc/02/63/19/660026319.db2.gz QQSQGFOPPICILF-WMZOPIPTSA-N 2 1 351.539 -0.036 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907203908 660026583 /nfs/dbraw/zinc/02/65/83/660026583.db2.gz UILARGQJYSMBLU-UHFFFAOYSA-N 2 1 354.495 -0.835 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000908015614 660032979 /nfs/dbraw/zinc/03/29/79/660032979.db2.gz RMHZQBFVPKXJAP-DLBZAZTESA-N 2 1 374.551 -0.515 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000908015615 660033100 /nfs/dbraw/zinc/03/31/00/660033100.db2.gz RMHZQBFVPKXJAP-IAGOWNOFSA-N 2 1 374.551 -0.515 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000908015616 660033154 /nfs/dbraw/zinc/03/31/54/660033154.db2.gz RMHZQBFVPKXJAP-IRXDYDNUSA-N 2 1 374.551 -0.515 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000908015617 660033057 /nfs/dbraw/zinc/03/30/57/660033057.db2.gz RMHZQBFVPKXJAP-SJORKVTESA-N 2 1 374.551 -0.515 20 0 FBADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908030021 660033237 /nfs/dbraw/zinc/03/32/37/660033237.db2.gz VZHZDCVHTAAJHR-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908030022 660033329 /nfs/dbraw/zinc/03/33/29/660033329.db2.gz VZHZDCVHTAAJHR-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908030023 660033445 /nfs/dbraw/zinc/03/34/45/660033445.db2.gz VZHZDCVHTAAJHR-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908030024 660033419 /nfs/dbraw/zinc/03/34/19/660033419.db2.gz VZHZDCVHTAAJHR-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1=O ZINC000908185493 660035022 /nfs/dbraw/zinc/03/50/22/660035022.db2.gz QHSBOUDQESJZPL-INIZCTEOSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1=O ZINC000908185494 660034949 /nfs/dbraw/zinc/03/49/49/660034949.db2.gz QHSBOUDQESJZPL-MRXNPFEDSA-N 2 1 351.495 -0.709 20 0 FBADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)C1=O ZINC000908186515 660034862 /nfs/dbraw/zinc/03/48/62/660034862.db2.gz WRDJKPDSCUCLDG-CRAIPNDOSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)C1=O ZINC000908186536 660035037 /nfs/dbraw/zinc/03/50/37/660035037.db2.gz WRDJKPDSCUCLDG-MAUKXSAKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)C1=O ZINC000908186537 660034919 /nfs/dbraw/zinc/03/49/19/660034919.db2.gz WRDJKPDSCUCLDG-QAPCUYQASA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)C1=O ZINC000908186538 660035009 /nfs/dbraw/zinc/03/50/09/660035009.db2.gz WRDJKPDSCUCLDG-YJBOKZPZSA-N 2 1 352.479 -0.356 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908204423 660035209 /nfs/dbraw/zinc/03/52/09/660035209.db2.gz VKYKQSUTBDOGSY-BZUAXINKSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908204423 660035208 /nfs/dbraw/zinc/03/52/08/660035208.db2.gz VKYKQSUTBDOGSY-BZUAXINKSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000908204423 660035206 /nfs/dbraw/zinc/03/52/06/660035206.db2.gz VKYKQSUTBDOGSY-BZUAXINKSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000908204423 660035204 /nfs/dbraw/zinc/03/52/04/660035204.db2.gz VKYKQSUTBDOGSY-BZUAXINKSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000908204425 660035305 /nfs/dbraw/zinc/03/53/05/660035305.db2.gz VKYKQSUTBDOGSY-OAGGEKHMSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000908204425 660035303 /nfs/dbraw/zinc/03/53/03/660035303.db2.gz VKYKQSUTBDOGSY-OAGGEKHMSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000908204425 660035301 /nfs/dbraw/zinc/03/53/01/660035301.db2.gz VKYKQSUTBDOGSY-OAGGEKHMSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000908204425 660035297 /nfs/dbraw/zinc/03/52/97/660035297.db2.gz VKYKQSUTBDOGSY-OAGGEKHMSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908204427 660035171 /nfs/dbraw/zinc/03/51/71/660035171.db2.gz VKYKQSUTBDOGSY-OWCLPIDISA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908204427 660035169 /nfs/dbraw/zinc/03/51/69/660035169.db2.gz VKYKQSUTBDOGSY-OWCLPIDISA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000908204427 660035168 /nfs/dbraw/zinc/03/51/68/660035168.db2.gz VKYKQSUTBDOGSY-OWCLPIDISA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000908204427 660035166 /nfs/dbraw/zinc/03/51/66/660035166.db2.gz VKYKQSUTBDOGSY-OWCLPIDISA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000908204429 660035197 /nfs/dbraw/zinc/03/51/97/660035197.db2.gz VKYKQSUTBDOGSY-PMPSAXMXSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000908204429 660035195 /nfs/dbraw/zinc/03/51/95/660035195.db2.gz VKYKQSUTBDOGSY-PMPSAXMXSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000908204429 660035193 /nfs/dbraw/zinc/03/51/93/660035193.db2.gz VKYKQSUTBDOGSY-PMPSAXMXSA-N 2 1 353.463 -0.071 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000908204429 660035191 /nfs/dbraw/zinc/03/51/91/660035191.db2.gz VKYKQSUTBDOGSY-PMPSAXMXSA-N 2 1 353.463 -0.071 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[NH+](C)C1CCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000908371620 660036031 /nfs/dbraw/zinc/03/60/31/660036031.db2.gz JNYZMOWLNKKDER-INIZCTEOSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[NH+](C)C1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000908371620 660036029 /nfs/dbraw/zinc/03/60/29/660036029.db2.gz JNYZMOWLNKKDER-INIZCTEOSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)C[NH+](C)C1CCC1 ZINC000908371620 660036024 /nfs/dbraw/zinc/03/60/24/660036024.db2.gz JNYZMOWLNKKDER-INIZCTEOSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[NH+](C)C1CCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000908371623 660035938 /nfs/dbraw/zinc/03/59/38/660035938.db2.gz JNYZMOWLNKKDER-MRXNPFEDSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[NH+](C)C1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000908371623 660035934 /nfs/dbraw/zinc/03/59/34/660035934.db2.gz JNYZMOWLNKKDER-MRXNPFEDSA-N 2 1 354.495 -0.110 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)C[NH+](C)C1CCC1 ZINC000908371623 660035933 /nfs/dbraw/zinc/03/59/33/660035933.db2.gz JNYZMOWLNKKDER-MRXNPFEDSA-N 2 1 354.495 -0.110 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908377676 660035915 /nfs/dbraw/zinc/03/59/15/660035915.db2.gz NCOWLFZMMVYRNO-GOSISDBHSA-N 2 1 354.495 -0.058 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908377677 660036051 /nfs/dbraw/zinc/03/60/51/660036051.db2.gz NCOWLFZMMVYRNO-SFHVURJKSA-N 2 1 354.495 -0.058 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908378516 660036073 /nfs/dbraw/zinc/03/60/73/660036073.db2.gz XLACKUQMFRRJJJ-UHFFFAOYSA-N 2 1 353.511 -0.412 20 0 FBADMP CCN1CC[NH+](CCC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909327351 658694122 /nfs/dbraw/zinc/69/41/22/658694122.db2.gz VIMCEPWPPJIQLL-UHFFFAOYSA-N 2 1 353.511 -0.268 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368586 658794309 /nfs/dbraw/zinc/79/43/09/658794309.db2.gz WHGASHGWMJOHTD-CRAIPNDOSA-N 2 1 352.479 -0.354 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368587 658794522 /nfs/dbraw/zinc/79/45/22/658794522.db2.gz WHGASHGWMJOHTD-MAUKXSAKSA-N 2 1 352.479 -0.354 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368588 658794370 /nfs/dbraw/zinc/79/43/70/658794370.db2.gz WHGASHGWMJOHTD-QAPCUYQASA-N 2 1 352.479 -0.354 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368589 658794686 /nfs/dbraw/zinc/79/46/86/658794686.db2.gz WHGASHGWMJOHTD-YJBOKZPZSA-N 2 1 352.479 -0.354 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368603 658794597 /nfs/dbraw/zinc/79/45/97/658794597.db2.gz WRLCYGUAGPAXAL-INIZCTEOSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368604 658794497 /nfs/dbraw/zinc/79/44/97/658794497.db2.gz WRLCYGUAGPAXAL-MRXNPFEDSA-N 2 1 351.495 -0.707 20 0 FBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000909877651 660038951 /nfs/dbraw/zinc/03/89/51/660038951.db2.gz DLYBUCHIENKOLW-GOSISDBHSA-N 2 1 355.479 -0.169 20 0 FBADMP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000909877651 660038949 /nfs/dbraw/zinc/03/89/49/660038949.db2.gz DLYBUCHIENKOLW-GOSISDBHSA-N 2 1 355.479 -0.169 20 0 FBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000909877652 660038919 /nfs/dbraw/zinc/03/89/19/660038919.db2.gz DLYBUCHIENKOLW-SFHVURJKSA-N 2 1 355.479 -0.169 20 0 FBADMP C[N@@H+]1CCC[C@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000909877652 660038917 /nfs/dbraw/zinc/03/89/17/660038917.db2.gz DLYBUCHIENKOLW-SFHVURJKSA-N 2 1 355.479 -0.169 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405388 660039749 /nfs/dbraw/zinc/03/97/49/660039749.db2.gz GNINDTJYKLMCSN-DOTOQJQBSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405389 660039913 /nfs/dbraw/zinc/03/99/13/660039913.db2.gz GNINDTJYKLMCSN-NVXWUHKLSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405390 660039894 /nfs/dbraw/zinc/03/98/94/660039894.db2.gz GNINDTJYKLMCSN-RDJZCZTQSA-N 2 1 354.495 -0.646 20 0 FBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405391 660039766 /nfs/dbraw/zinc/03/97/66/660039766.db2.gz GNINDTJYKLMCSN-WBVHZDCISA-N 2 1 354.495 -0.646 20 0 FBADMP COC(=O)[C@@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910413386 660039832 /nfs/dbraw/zinc/03/98/32/660039832.db2.gz NVPBEVFXHAKBRA-INIZCTEOSA-N 2 1 354.495 -0.034 20 0 FBADMP COC(=O)[C@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910413387 660039923 /nfs/dbraw/zinc/03/99/23/660039923.db2.gz NVPBEVFXHAKBRA-MRXNPFEDSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(S(N)(=O)=O)C3)CC2)CC1 ZINC000910531160 660040302 /nfs/dbraw/zinc/04/03/02/660040302.db2.gz PPPPCJNMRVOTIT-UHFFFAOYSA-N 2 1 358.508 -0.318 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000910563213 660040912 /nfs/dbraw/zinc/04/09/12/660040912.db2.gz MKPRJSHBBWXAOC-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000910563213 660040910 /nfs/dbraw/zinc/04/09/10/660040910.db2.gz MKPRJSHBBWXAOC-INIZCTEOSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000910563214 660040924 /nfs/dbraw/zinc/04/09/24/660040924.db2.gz MKPRJSHBBWXAOC-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000910563214 660040923 /nfs/dbraw/zinc/04/09/23/660040923.db2.gz MKPRJSHBBWXAOC-MRXNPFEDSA-N 2 1 352.479 -0.232 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C[C@]2(C)C1 ZINC000910609197 660041711 /nfs/dbraw/zinc/04/17/11/660041711.db2.gz GSLXZHMPQBSDBX-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C[C@]2(C)C1 ZINC000910609197 660041710 /nfs/dbraw/zinc/04/17/10/660041710.db2.gz GSLXZHMPQBSDBX-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000910609277 660041736 /nfs/dbraw/zinc/04/17/36/660041736.db2.gz HVJUHUXZLVQZPF-UHFFFAOYSA-N 2 1 356.511 -0.052 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910614725 660041825 /nfs/dbraw/zinc/04/18/25/660041825.db2.gz ZKSULCTZDNOYPX-MAUKXSAKSA-N 3 1 353.511 -0.652 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000910628504 660042698 /nfs/dbraw/zinc/04/26/98/660042698.db2.gz IFIWRYVWRULWTD-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000910628504 660042697 /nfs/dbraw/zinc/04/26/97/660042697.db2.gz IFIWRYVWRULWTD-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000910628504 660042694 /nfs/dbraw/zinc/04/26/94/660042694.db2.gz IFIWRYVWRULWTD-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000910628504 660042693 /nfs/dbraw/zinc/04/26/93/660042693.db2.gz IFIWRYVWRULWTD-CVEARBPZSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000910628515 660042443 /nfs/dbraw/zinc/04/24/43/660042443.db2.gz IFIWRYVWRULWTD-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000910628515 660042441 /nfs/dbraw/zinc/04/24/41/660042441.db2.gz IFIWRYVWRULWTD-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000910628515 660042438 /nfs/dbraw/zinc/04/24/38/660042438.db2.gz IFIWRYVWRULWTD-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000910628515 660042435 /nfs/dbraw/zinc/04/24/35/660042435.db2.gz IFIWRYVWRULWTD-HOTGVXAUSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000910628516 660042560 /nfs/dbraw/zinc/04/25/60/660042560.db2.gz IFIWRYVWRULWTD-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000910628516 660042559 /nfs/dbraw/zinc/04/25/59/660042559.db2.gz IFIWRYVWRULWTD-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000910628516 660042557 /nfs/dbraw/zinc/04/25/57/660042557.db2.gz IFIWRYVWRULWTD-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000910628516 660042556 /nfs/dbraw/zinc/04/25/56/660042556.db2.gz IFIWRYVWRULWTD-HZPDHXFCSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000910628517 660042672 /nfs/dbraw/zinc/04/26/72/660042672.db2.gz IFIWRYVWRULWTD-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000910628517 660042669 /nfs/dbraw/zinc/04/26/69/660042669.db2.gz IFIWRYVWRULWTD-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000910628517 660042668 /nfs/dbraw/zinc/04/26/68/660042668.db2.gz IFIWRYVWRULWTD-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000910628517 660042664 /nfs/dbraw/zinc/04/26/64/660042664.db2.gz IFIWRYVWRULWTD-JKSUJKDBSA-N 2 1 351.495 -0.565 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000910639401 660042962 /nfs/dbraw/zinc/04/29/62/660042962.db2.gz GFTLMOASRDETQV-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000910639401 660042957 /nfs/dbraw/zinc/04/29/57/660042957.db2.gz GFTLMOASRDETQV-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CC1 ZINC000910639401 660042954 /nfs/dbraw/zinc/04/29/54/660042954.db2.gz GFTLMOASRDETQV-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CC1 ZINC000910639401 660042950 /nfs/dbraw/zinc/04/29/50/660042950.db2.gz GFTLMOASRDETQV-UHFFFAOYSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000910746757 660047971 /nfs/dbraw/zinc/04/79/71/660047971.db2.gz LUHYLAIMKANJIR-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000910746757 660047969 /nfs/dbraw/zinc/04/79/69/660047969.db2.gz LUHYLAIMKANJIR-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000910746758 660048013 /nfs/dbraw/zinc/04/80/13/660048013.db2.gz LUHYLAIMKANJIR-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000910746758 660048011 /nfs/dbraw/zinc/04/80/11/660048011.db2.gz LUHYLAIMKANJIR-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000910750929 660048287 /nfs/dbraw/zinc/04/82/87/660048287.db2.gz RQPAXEMMWSNXAP-HNNXBMFYSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000910750929 660048285 /nfs/dbraw/zinc/04/82/85/660048285.db2.gz RQPAXEMMWSNXAP-HNNXBMFYSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000910750929 660048284 /nfs/dbraw/zinc/04/82/84/660048284.db2.gz RQPAXEMMWSNXAP-HNNXBMFYSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000910750929 660048283 /nfs/dbraw/zinc/04/82/83/660048283.db2.gz RQPAXEMMWSNXAP-HNNXBMFYSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000910750934 660048273 /nfs/dbraw/zinc/04/82/73/660048273.db2.gz RQPAXEMMWSNXAP-OAHLLOKOSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000910750934 660048271 /nfs/dbraw/zinc/04/82/71/660048271.db2.gz RQPAXEMMWSNXAP-OAHLLOKOSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000910750934 660048270 /nfs/dbraw/zinc/04/82/70/660048270.db2.gz RQPAXEMMWSNXAP-OAHLLOKOSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000910750934 660048269 /nfs/dbraw/zinc/04/82/69/660048269.db2.gz RQPAXEMMWSNXAP-OAHLLOKOSA-N 2 1 352.479 -0.403 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000910765778 660048528 /nfs/dbraw/zinc/04/85/28/660048528.db2.gz KOKBYFRFKIVGNB-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000910765778 660048525 /nfs/dbraw/zinc/04/85/25/660048525.db2.gz KOKBYFRFKIVGNB-INIZCTEOSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000910765780 660048653 /nfs/dbraw/zinc/04/86/53/660048653.db2.gz KOKBYFRFKIVGNB-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000910765780 660048652 /nfs/dbraw/zinc/04/86/52/660048652.db2.gz KOKBYFRFKIVGNB-MRXNPFEDSA-N 2 1 351.495 -0.565 20 0 FBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765866 660048650 /nfs/dbraw/zinc/04/86/50/660048650.db2.gz LLZHDVWOLLUSAF-BZUAXINKSA-N 3 1 353.511 -0.605 20 0 FBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765866 660048648 /nfs/dbraw/zinc/04/86/48/660048648.db2.gz LLZHDVWOLLUSAF-BZUAXINKSA-N 3 1 353.511 -0.605 20 0 FBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765868 660048688 /nfs/dbraw/zinc/04/86/88/660048688.db2.gz LLZHDVWOLLUSAF-OAGGEKHMSA-N 3 1 353.511 -0.605 20 0 FBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765868 660048687 /nfs/dbraw/zinc/04/86/87/660048687.db2.gz LLZHDVWOLLUSAF-OAGGEKHMSA-N 3 1 353.511 -0.605 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)CCO2 ZINC000910774568 660049899 /nfs/dbraw/zinc/04/98/99/660049899.db2.gz KQVRGBFXAJDVHX-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)CCO2 ZINC000910774568 660049897 /nfs/dbraw/zinc/04/98/97/660049897.db2.gz KQVRGBFXAJDVHX-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C[C@]2(C)C1 ZINC000910905381 660054245 /nfs/dbraw/zinc/05/42/45/660054245.db2.gz DPGVBANLHOODMS-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)C[C@]2(C)C1 ZINC000910905381 660054242 /nfs/dbraw/zinc/05/42/42/660054242.db2.gz DPGVBANLHOODMS-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)C[C@]2(C)C1 ZINC000910905381 660054240 /nfs/dbraw/zinc/05/42/40/660054240.db2.gz DPGVBANLHOODMS-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)C[C@]2(C)C1 ZINC000910905381 660054239 /nfs/dbraw/zinc/05/42/39/660054239.db2.gz DPGVBANLHOODMS-KDOFPFPSSA-N 2 1 352.479 -0.688 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C[C@H](C)[NH+]1CCO ZINC000910906857 660052209 /nfs/dbraw/zinc/05/22/09/660052209.db2.gz SPYRUDOEFJGKAD-JTOWHCCKSA-N 2 1 352.479 -0.690 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@H](C)[NH+]1CCO ZINC000910906857 660052206 /nfs/dbraw/zinc/05/22/06/660052206.db2.gz SPYRUDOEFJGKAD-JTOWHCCKSA-N 2 1 352.479 -0.690 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000910906857 660052203 /nfs/dbraw/zinc/05/22/03/660052203.db2.gz SPYRUDOEFJGKAD-JTOWHCCKSA-N 2 1 352.479 -0.690 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)[N@H+]1CCO ZINC000910906857 660052202 /nfs/dbraw/zinc/05/22/02/660052202.db2.gz SPYRUDOEFJGKAD-JTOWHCCKSA-N 2 1 352.479 -0.690 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000910918824 660054763 /nfs/dbraw/zinc/05/47/63/660054763.db2.gz HJAHEAAIQVQZLZ-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000910918824 660054762 /nfs/dbraw/zinc/05/47/62/660054762.db2.gz HJAHEAAIQVQZLZ-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918824 660054761 /nfs/dbraw/zinc/05/47/61/660054761.db2.gz HJAHEAAIQVQZLZ-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918824 660054760 /nfs/dbraw/zinc/05/47/60/660054760.db2.gz HJAHEAAIQVQZLZ-CABCVRRESA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000910918825 660054745 /nfs/dbraw/zinc/05/47/45/660054745.db2.gz HJAHEAAIQVQZLZ-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000910918825 660054744 /nfs/dbraw/zinc/05/47/44/660054744.db2.gz HJAHEAAIQVQZLZ-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918825 660054743 /nfs/dbraw/zinc/05/47/43/660054743.db2.gz HJAHEAAIQVQZLZ-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918825 660054742 /nfs/dbraw/zinc/05/47/42/660054742.db2.gz HJAHEAAIQVQZLZ-GJZGRUSLSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000910918826 660055154 /nfs/dbraw/zinc/05/51/54/660055154.db2.gz HJAHEAAIQVQZLZ-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000910918826 660055153 /nfs/dbraw/zinc/05/51/53/660055153.db2.gz HJAHEAAIQVQZLZ-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918826 660055152 /nfs/dbraw/zinc/05/51/52/660055152.db2.gz HJAHEAAIQVQZLZ-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918826 660055151 /nfs/dbraw/zinc/05/51/51/660055151.db2.gz HJAHEAAIQVQZLZ-HUUCEWRRSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000910918827 660055009 /nfs/dbraw/zinc/05/50/09/660055009.db2.gz HJAHEAAIQVQZLZ-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000910918827 660055006 /nfs/dbraw/zinc/05/50/06/660055006.db2.gz HJAHEAAIQVQZLZ-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918827 660055004 /nfs/dbraw/zinc/05/50/04/660055004.db2.gz HJAHEAAIQVQZLZ-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000910918827 660055002 /nfs/dbraw/zinc/05/50/02/660055002.db2.gz HJAHEAAIQVQZLZ-LSDHHAIUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910919504 660055106 /nfs/dbraw/zinc/05/51/06/660055106.db2.gz MDOUPRWURLZYHC-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910919504 660055104 /nfs/dbraw/zinc/05/51/04/660055104.db2.gz MDOUPRWURLZYHC-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000910919504 660055101 /nfs/dbraw/zinc/05/51/01/660055101.db2.gz MDOUPRWURLZYHC-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910919505 660055232 /nfs/dbraw/zinc/05/52/32/660055232.db2.gz MDOUPRWURLZYHC-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910919505 660055230 /nfs/dbraw/zinc/05/52/30/660055230.db2.gz MDOUPRWURLZYHC-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000910919505 660055229 /nfs/dbraw/zinc/05/52/29/660055229.db2.gz MDOUPRWURLZYHC-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910919506 660055192 /nfs/dbraw/zinc/05/51/92/660055192.db2.gz MDOUPRWURLZYHC-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910919506 660055191 /nfs/dbraw/zinc/05/51/91/660055191.db2.gz MDOUPRWURLZYHC-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000910919506 660055189 /nfs/dbraw/zinc/05/51/89/660055189.db2.gz MDOUPRWURLZYHC-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910919507 660054992 /nfs/dbraw/zinc/05/49/92/660054992.db2.gz MDOUPRWURLZYHC-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910919507 660054989 /nfs/dbraw/zinc/05/49/89/660054989.db2.gz MDOUPRWURLZYHC-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000910919507 660054986 /nfs/dbraw/zinc/05/49/86/660054986.db2.gz MDOUPRWURLZYHC-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910920002 660055024 /nfs/dbraw/zinc/05/50/24/660055024.db2.gz OXOXXXSGPLTMJS-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920002 660055021 /nfs/dbraw/zinc/05/50/21/660055021.db2.gz OXOXXXSGPLTMJS-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000910920002 660055019 /nfs/dbraw/zinc/05/50/19/660055019.db2.gz OXOXXXSGPLTMJS-ARFHVFGLSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910920003 660055161 /nfs/dbraw/zinc/05/51/61/660055161.db2.gz OXOXXXSGPLTMJS-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920003 660055160 /nfs/dbraw/zinc/05/51/60/660055160.db2.gz OXOXXXSGPLTMJS-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000910920003 660055159 /nfs/dbraw/zinc/05/51/59/660055159.db2.gz OXOXXXSGPLTMJS-HRCADAONSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910920004 660055206 /nfs/dbraw/zinc/05/52/06/660055206.db2.gz OXOXXXSGPLTMJS-JYJNAYRXSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920004 660055205 /nfs/dbraw/zinc/05/52/05/660055205.db2.gz OXOXXXSGPLTMJS-JYJNAYRXSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000910920004 660055203 /nfs/dbraw/zinc/05/52/03/660055203.db2.gz OXOXXXSGPLTMJS-JYJNAYRXSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910920005 660054965 /nfs/dbraw/zinc/05/49/65/660054965.db2.gz OXOXXXSGPLTMJS-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920005 660054962 /nfs/dbraw/zinc/05/49/62/660054962.db2.gz OXOXXXSGPLTMJS-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000910920005 660054959 /nfs/dbraw/zinc/05/49/59/660054959.db2.gz OXOXXXSGPLTMJS-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910921394 660055582 /nfs/dbraw/zinc/05/55/82/660055582.db2.gz CUAQMHKCWNWDFH-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910921394 660055581 /nfs/dbraw/zinc/05/55/81/660055581.db2.gz CUAQMHKCWNWDFH-CVEARBPZSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910921397 660055451 /nfs/dbraw/zinc/05/54/51/660055451.db2.gz CUAQMHKCWNWDFH-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910921397 660055448 /nfs/dbraw/zinc/05/54/48/660055448.db2.gz CUAQMHKCWNWDFH-HOTGVXAUSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910921399 660055532 /nfs/dbraw/zinc/05/55/32/660055532.db2.gz CUAQMHKCWNWDFH-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910921399 660055530 /nfs/dbraw/zinc/05/55/30/660055530.db2.gz CUAQMHKCWNWDFH-HZPDHXFCSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910921401 660055481 /nfs/dbraw/zinc/05/54/81/660055481.db2.gz CUAQMHKCWNWDFH-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910921401 660055478 /nfs/dbraw/zinc/05/54/78/660055478.db2.gz CUAQMHKCWNWDFH-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910923818 660055682 /nfs/dbraw/zinc/05/56/82/660055682.db2.gz LKYXSZFHRBMQIV-CVEARBPZSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910923820 660055674 /nfs/dbraw/zinc/05/56/74/660055674.db2.gz LKYXSZFHRBMQIV-HOTGVXAUSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910923821 660055810 /nfs/dbraw/zinc/05/58/10/660055810.db2.gz LKYXSZFHRBMQIV-HZPDHXFCSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910923822 660055921 /nfs/dbraw/zinc/05/59/21/660055921.db2.gz LKYXSZFHRBMQIV-JKSUJKDBSA-N 2 1 352.479 -0.402 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924446 660056004 /nfs/dbraw/zinc/05/60/04/660056004.db2.gz MOLNBLPOBCXLPP-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924446 660056003 /nfs/dbraw/zinc/05/60/03/660056003.db2.gz MOLNBLPOBCXLPP-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1C ZINC000910924446 660056002 /nfs/dbraw/zinc/05/60/02/660056002.db2.gz MOLNBLPOBCXLPP-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1C ZINC000910924446 660056001 /nfs/dbraw/zinc/05/60/01/660056001.db2.gz MOLNBLPOBCXLPP-FZKCQIBNSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924447 660055795 /nfs/dbraw/zinc/05/57/95/660055795.db2.gz MOLNBLPOBCXLPP-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924447 660055792 /nfs/dbraw/zinc/05/57/92/660055792.db2.gz MOLNBLPOBCXLPP-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1C ZINC000910924447 660055790 /nfs/dbraw/zinc/05/57/90/660055790.db2.gz MOLNBLPOBCXLPP-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1C ZINC000910924447 660055787 /nfs/dbraw/zinc/05/57/87/660055787.db2.gz MOLNBLPOBCXLPP-QKPAOTATSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924448 660056014 /nfs/dbraw/zinc/05/60/14/660056014.db2.gz MOLNBLPOBCXLPP-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924448 660056013 /nfs/dbraw/zinc/05/60/13/660056013.db2.gz MOLNBLPOBCXLPP-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1C ZINC000910924448 660056012 /nfs/dbraw/zinc/05/60/12/660056012.db2.gz MOLNBLPOBCXLPP-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1C ZINC000910924448 660056011 /nfs/dbraw/zinc/05/60/11/660056011.db2.gz MOLNBLPOBCXLPP-QXSJWSMHSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924449 660055947 /nfs/dbraw/zinc/05/59/47/660055947.db2.gz MOLNBLPOBCXLPP-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1C ZINC000910924449 660055946 /nfs/dbraw/zinc/05/59/46/660055946.db2.gz MOLNBLPOBCXLPP-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1C ZINC000910924449 660055944 /nfs/dbraw/zinc/05/59/44/660055944.db2.gz MOLNBLPOBCXLPP-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1C ZINC000910924449 660055941 /nfs/dbraw/zinc/05/59/41/660055941.db2.gz MOLNBLPOBCXLPP-XUWVNRHRSA-N 2 1 352.479 -0.405 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000910925542 660056049 /nfs/dbraw/zinc/05/60/49/660056049.db2.gz PBOWIVFVVKASRM-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000910925543 660055884 /nfs/dbraw/zinc/05/58/84/660055884.db2.gz PBOWIVFVVKASRM-OAGGEKHMSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000910925544 660055913 /nfs/dbraw/zinc/05/59/13/660055913.db2.gz PBOWIVFVVKASRM-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000910925545 660056023 /nfs/dbraw/zinc/05/60/23/660056023.db2.gz PBOWIVFVVKASRM-PMPSAXMXSA-N 2 1 352.479 -0.403 20 0 FBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000910933164 660054513 /nfs/dbraw/zinc/05/45/13/660054513.db2.gz GUOGCCZOEWWWPU-UHFFFAOYSA-N 2 1 356.511 -0.052 20 0 FBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000910933164 660054510 /nfs/dbraw/zinc/05/45/10/660054510.db2.gz GUOGCCZOEWWWPU-UHFFFAOYSA-N 2 1 356.511 -0.052 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000910933871 660054466 /nfs/dbraw/zinc/05/44/66/660054466.db2.gz NVKSFVCFUNLYML-GASCZTMLSA-N 2 1 356.511 -0.054 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000910933871 660054464 /nfs/dbraw/zinc/05/44/64/660054464.db2.gz NVKSFVCFUNLYML-GASCZTMLSA-N 2 1 356.511 -0.054 20 0 FBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000910953137 660056467 /nfs/dbraw/zinc/05/64/67/660056467.db2.gz QGYQICNVCJEFBH-SHTZXODSSA-N 2 1 352.479 -0.009 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000910954338 660056694 /nfs/dbraw/zinc/05/66/94/660056694.db2.gz ZGFOGJZKXJZCRN-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC000910964384 660056883 /nfs/dbraw/zinc/05/68/83/660056883.db2.gz UFQKKUVZZBXVCK-UHFFFAOYSA-N 2 1 353.511 -0.221 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1C ZINC000910977955 660057011 /nfs/dbraw/zinc/05/70/11/660057011.db2.gz NUKUMDBMRURJAP-NXEZZACHSA-N 2 1 362.356 -0.550 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000910983622 660057148 /nfs/dbraw/zinc/05/71/48/660057148.db2.gz IXYRTLAASXYLRA-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000910983623 660057048 /nfs/dbraw/zinc/05/70/48/660057048.db2.gz IXYRTLAASXYLRA-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000910983624 660057063 /nfs/dbraw/zinc/05/70/63/660057063.db2.gz IXYRTLAASXYLRA-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000910983625 660057137 /nfs/dbraw/zinc/05/71/37/660057137.db2.gz IXYRTLAASXYLRA-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CCCO1 ZINC000910984125 660057031 /nfs/dbraw/zinc/05/70/31/660057031.db2.gz LLLCPHQNUNXSGH-IIDMSEBBSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CCCO1 ZINC000910984127 660057126 /nfs/dbraw/zinc/05/71/26/660057126.db2.gz LLLCPHQNUNXSGH-RKVPGOIHSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CCCO1 ZINC000910984129 660057120 /nfs/dbraw/zinc/05/71/20/660057120.db2.gz LLLCPHQNUNXSGH-RVKKMQEKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CCCO1 ZINC000910984131 660057026 /nfs/dbraw/zinc/05/70/26/660057026.db2.gz LLLCPHQNUNXSGH-VKJFTORMSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCCO1 ZINC000910984658 660057084 /nfs/dbraw/zinc/05/70/84/660057084.db2.gz PBDHPBBBHLEEEE-CRAIPNDOSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCCO1 ZINC000910984659 660057041 /nfs/dbraw/zinc/05/70/41/660057041.db2.gz PBDHPBBBHLEEEE-MAUKXSAKSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCCO1 ZINC000910984660 660057081 /nfs/dbraw/zinc/05/70/81/660057081.db2.gz PBDHPBBBHLEEEE-QAPCUYQASA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCCO1 ZINC000910984661 660057035 /nfs/dbraw/zinc/05/70/35/660057035.db2.gz PBDHPBBBHLEEEE-YJBOKZPZSA-N 2 1 352.479 -0.042 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCO1 ZINC000910984885 660057142 /nfs/dbraw/zinc/05/71/42/660057142.db2.gz PQTRDZNBIHKSLL-HRCADAONSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCO1 ZINC000910984886 660057088 /nfs/dbraw/zinc/05/70/88/660057088.db2.gz PQTRDZNBIHKSLL-OWCLPIDISA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000910985280 660057023 /nfs/dbraw/zinc/05/70/23/660057023.db2.gz VMNNFSSVVRTSDQ-BZUAXINKSA-N 2 1 354.495 -0.035 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000910985281 660057108 /nfs/dbraw/zinc/05/71/08/660057108.db2.gz VMNNFSSVVRTSDQ-OWCLPIDISA-N 2 1 354.495 -0.035 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990308 660057335 /nfs/dbraw/zinc/05/73/35/660057335.db2.gz BQWMVJDGIIWWBG-BZUAXINKSA-N 2 1 354.495 -0.179 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990310 660057374 /nfs/dbraw/zinc/05/73/74/660057374.db2.gz BQWMVJDGIIWWBG-OAGGEKHMSA-N 2 1 354.495 -0.179 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000910991497 660057304 /nfs/dbraw/zinc/05/73/04/660057304.db2.gz GUCKPAZFTKDAGD-XHSDSOJGSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000910992587 660057346 /nfs/dbraw/zinc/05/73/46/660057346.db2.gz MUUPBOGBNFTWFP-CRAIPNDOSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000910992588 660057366 /nfs/dbraw/zinc/05/73/66/660057366.db2.gz MUUPBOGBNFTWFP-MAUKXSAKSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000910992589 660057340 /nfs/dbraw/zinc/05/73/40/660057340.db2.gz MUUPBOGBNFTWFP-QAPCUYQASA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000910992590 660057709 /nfs/dbraw/zinc/05/77/09/660057709.db2.gz MUUPBOGBNFTWFP-YJBOKZPZSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000910992609 660057693 /nfs/dbraw/zinc/05/76/93/660057693.db2.gz NLYHYANKBYWPHR-BZUAXINKSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000910992610 660057664 /nfs/dbraw/zinc/05/76/64/660057664.db2.gz NLYHYANKBYWPHR-OAGGEKHMSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000910993098 660057725 /nfs/dbraw/zinc/05/77/25/660057725.db2.gz PLIOFMANVNKYPZ-DAYGRLMNSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000910993099 660057577 /nfs/dbraw/zinc/05/75/77/660057577.db2.gz PLIOFMANVNKYPZ-HDMKZQKVSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000910993100 660057648 /nfs/dbraw/zinc/05/76/48/660057648.db2.gz PLIOFMANVNKYPZ-IIDMSEBBSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000910993101 660057703 /nfs/dbraw/zinc/05/77/03/660057703.db2.gz PLIOFMANVNKYPZ-RKVPGOIHSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000910993565 660057534 /nfs/dbraw/zinc/05/75/34/660057534.db2.gz RQGNMKIQDOCXQA-ARFHVFGLSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000910993566 660057615 /nfs/dbraw/zinc/05/76/15/660057615.db2.gz RQGNMKIQDOCXQA-BZUAXINKSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000910993567 660057714 /nfs/dbraw/zinc/05/77/14/660057714.db2.gz RQGNMKIQDOCXQA-HRCADAONSA-N 2 1 354.495 -0.097 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000910993568 660057518 /nfs/dbraw/zinc/05/75/18/660057518.db2.gz RQGNMKIQDOCXQA-OWCLPIDISA-N 2 1 354.495 -0.097 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@H+]1C ZINC000911007364 660058085 /nfs/dbraw/zinc/05/80/85/660058085.db2.gz JFTILPCFXVPLFN-CVEARBPZSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@@H+]1C ZINC000911007364 660058084 /nfs/dbraw/zinc/05/80/84/660058084.db2.gz JFTILPCFXVPLFN-CVEARBPZSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000911007364 660058082 /nfs/dbraw/zinc/05/80/82/660058082.db2.gz JFTILPCFXVPLFN-CVEARBPZSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@H+]1C ZINC000911007365 660058129 /nfs/dbraw/zinc/05/81/29/660058129.db2.gz JFTILPCFXVPLFN-HOTGVXAUSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@@H+]1C ZINC000911007365 660058127 /nfs/dbraw/zinc/05/81/27/660058127.db2.gz JFTILPCFXVPLFN-HOTGVXAUSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000911007365 660058125 /nfs/dbraw/zinc/05/81/25/660058125.db2.gz JFTILPCFXVPLFN-HOTGVXAUSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@H+]1C ZINC000911007366 660058171 /nfs/dbraw/zinc/05/81/71/660058171.db2.gz JFTILPCFXVPLFN-HZPDHXFCSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@@H+]1C ZINC000911007366 660058170 /nfs/dbraw/zinc/05/81/70/660058170.db2.gz JFTILPCFXVPLFN-HZPDHXFCSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000911007366 660058169 /nfs/dbraw/zinc/05/81/69/660058169.db2.gz JFTILPCFXVPLFN-HZPDHXFCSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@H+]1C ZINC000911007367 660058111 /nfs/dbraw/zinc/05/81/11/660058111.db2.gz JFTILPCFXVPLFN-JKSUJKDBSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC[N@@H+]1C ZINC000911007367 660058109 /nfs/dbraw/zinc/05/81/09/660058109.db2.gz JFTILPCFXVPLFN-JKSUJKDBSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000911007367 660058108 /nfs/dbraw/zinc/05/81/08/660058108.db2.gz JFTILPCFXVPLFN-JKSUJKDBSA-N 2 1 353.511 -0.223 20 0 FBADMP CC1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)COC1 ZINC000911007372 660058144 /nfs/dbraw/zinc/05/81/44/660058144.db2.gz JJCFFCRWRSRLDC-GASCZTMLSA-N 2 1 350.463 -0.434 20 0 FBADMP CC1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)COC1 ZINC000911007372 660058142 /nfs/dbraw/zinc/05/81/42/660058142.db2.gz JJCFFCRWRSRLDC-GASCZTMLSA-N 2 1 350.463 -0.434 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C ZINC000911007953 660058148 /nfs/dbraw/zinc/05/81/48/660058148.db2.gz LQWUSEYIKLDPJG-ILXRZTDVSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C ZINC000911007955 660058097 /nfs/dbraw/zinc/05/80/97/660058097.db2.gz LQWUSEYIKLDPJG-KFWWJZLASA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C ZINC000911007957 660058136 /nfs/dbraw/zinc/05/81/36/660058136.db2.gz LQWUSEYIKLDPJG-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C ZINC000911007959 660058157 /nfs/dbraw/zinc/05/81/57/660058157.db2.gz LQWUSEYIKLDPJG-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027132 660057860 /nfs/dbraw/zinc/05/78/60/660057860.db2.gz COWNCEXEAHKHHY-CABCVRRESA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027134 660057943 /nfs/dbraw/zinc/05/79/43/660057943.db2.gz COWNCEXEAHKHHY-GJZGRUSLSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027504 660057935 /nfs/dbraw/zinc/05/79/35/660057935.db2.gz COWNCEXEAHKHHY-HUUCEWRRSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027505 660057829 /nfs/dbraw/zinc/05/78/29/660057829.db2.gz COWNCEXEAHKHHY-LSDHHAIUSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911028816 660058744 /nfs/dbraw/zinc/05/87/44/660058744.db2.gz KAUVTQTYEVSUKB-KBXCAEBGSA-N 2 1 354.495 -0.075 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911028817 660058789 /nfs/dbraw/zinc/05/87/89/660058789.db2.gz KAUVTQTYEVSUKB-KDOFPFPSSA-N 2 1 354.495 -0.075 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911028818 660058768 /nfs/dbraw/zinc/05/87/68/660058768.db2.gz KAUVTQTYEVSUKB-KSSFIOAISA-N 2 1 354.495 -0.075 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911028819 660058835 /nfs/dbraw/zinc/05/88/35/660058835.db2.gz KAUVTQTYEVSUKB-RDTXWAMCSA-N 2 1 354.495 -0.075 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030154 660058938 /nfs/dbraw/zinc/05/89/38/660058938.db2.gz ROOXZPCJTPGFNN-OWCLPIDISA-N 2 1 353.511 -0.510 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030155 660059012 /nfs/dbraw/zinc/05/90/12/660059012.db2.gz ROOXZPCJTPGFNN-XHSDSOJGSA-N 2 1 353.511 -0.510 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911030286 660058953 /nfs/dbraw/zinc/05/89/53/660058953.db2.gz VPCVYYFJQBNWJH-BASYENTBSA-N 2 1 354.495 -0.219 20 0 FBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911030287 660058991 /nfs/dbraw/zinc/05/89/91/660058991.db2.gz VPCVYYFJQBNWJH-FSZRXZPDSA-N 2 1 354.495 -0.219 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911030288 660058914 /nfs/dbraw/zinc/05/89/14/660058914.db2.gz VPCVYYFJQBNWJH-JTOWHCCKSA-N 2 1 354.495 -0.219 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911030289 660058972 /nfs/dbraw/zinc/05/89/72/660058972.db2.gz VPCVYYFJQBNWJH-KRXQYRFLSA-N 2 1 354.495 -0.219 20 0 FBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911030470 660058930 /nfs/dbraw/zinc/05/89/30/660058930.db2.gz XICZYHUAGKSRBB-HNNXBMFYSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911030471 660059038 /nfs/dbraw/zinc/05/90/38/660059038.db2.gz XICZYHUAGKSRBB-OAHLLOKOSA-N 2 1 353.511 -0.366 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911030986 660058927 /nfs/dbraw/zinc/05/89/27/660058927.db2.gz ODEDEYAQCZBEEY-HNNXBMFYSA-N 2 1 353.511 -0.428 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911030987 660059026 /nfs/dbraw/zinc/05/90/26/660059026.db2.gz ODEDEYAQCZBEEY-OAHLLOKOSA-N 2 1 353.511 -0.428 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911031752 660059336 /nfs/dbraw/zinc/05/93/36/660059336.db2.gz SSEPSZSFDMFHHM-GRYCIOLGSA-N 2 1 365.400 -0.914 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911031755 660059346 /nfs/dbraw/zinc/05/93/46/660059346.db2.gz SSEPSZSFDMFHHM-IJLUTSLNSA-N 2 1 365.400 -0.914 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911031756 660059384 /nfs/dbraw/zinc/05/93/84/660059384.db2.gz SSEPSZSFDMFHHM-UTUOFQBUSA-N 2 1 365.400 -0.914 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911031758 660059341 /nfs/dbraw/zinc/05/93/41/660059341.db2.gz SSEPSZSFDMFHHM-WOPDTQHZSA-N 2 1 365.400 -0.914 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032967 660059301 /nfs/dbraw/zinc/05/93/01/660059301.db2.gz GZSCBWNUYNIASX-CABCVRRESA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032967 660059298 /nfs/dbraw/zinc/05/92/98/660059298.db2.gz GZSCBWNUYNIASX-CABCVRRESA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032968 660059355 /nfs/dbraw/zinc/05/93/55/660059355.db2.gz GZSCBWNUYNIASX-GJZGRUSLSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032968 660059353 /nfs/dbraw/zinc/05/93/53/660059353.db2.gz GZSCBWNUYNIASX-GJZGRUSLSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032969 660059249 /nfs/dbraw/zinc/05/92/49/660059249.db2.gz GZSCBWNUYNIASX-HUUCEWRRSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032969 660059246 /nfs/dbraw/zinc/05/92/46/660059246.db2.gz GZSCBWNUYNIASX-HUUCEWRRSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032970 660059225 /nfs/dbraw/zinc/05/92/25/660059225.db2.gz GZSCBWNUYNIASX-LSDHHAIUSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032970 660059223 /nfs/dbraw/zinc/05/92/23/660059223.db2.gz GZSCBWNUYNIASX-LSDHHAIUSA-N 2 1 351.495 -0.532 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911033386 660059476 /nfs/dbraw/zinc/05/94/76/660059476.db2.gz IUTBCFARPGIZOS-FXUDXRNXSA-N 2 1 354.495 -0.036 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911033397 660059674 /nfs/dbraw/zinc/05/96/74/660059674.db2.gz IUTBCFARPGIZOS-KLHDSHLOSA-N 2 1 354.495 -0.036 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911033401 660059579 /nfs/dbraw/zinc/05/95/79/660059579.db2.gz IUTBCFARPGIZOS-LVQVYYBASA-N 2 1 354.495 -0.036 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911033404 660059542 /nfs/dbraw/zinc/05/95/42/660059542.db2.gz IUTBCFARPGIZOS-QKPAOTATSA-N 2 1 354.495 -0.036 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033948 660059652 /nfs/dbraw/zinc/05/96/52/660059652.db2.gz LFTQWEWXBYZZOF-DZGCQCFKSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033948 660059650 /nfs/dbraw/zinc/05/96/50/660059650.db2.gz LFTQWEWXBYZZOF-DZGCQCFKSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033958 660059682 /nfs/dbraw/zinc/05/96/82/660059682.db2.gz LFTQWEWXBYZZOF-HIFRSBDPSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033958 660059679 /nfs/dbraw/zinc/05/96/79/660059679.db2.gz LFTQWEWXBYZZOF-HIFRSBDPSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033961 660059528 /nfs/dbraw/zinc/05/95/28/660059528.db2.gz LFTQWEWXBYZZOF-UKRRQHHQSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033961 660059526 /nfs/dbraw/zinc/05/95/26/660059526.db2.gz LFTQWEWXBYZZOF-UKRRQHHQSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033963 660059588 /nfs/dbraw/zinc/05/95/88/660059588.db2.gz LFTQWEWXBYZZOF-ZFWWWQNUSA-N 2 1 351.495 -0.615 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033963 660059585 /nfs/dbraw/zinc/05/95/85/660059585.db2.gz LFTQWEWXBYZZOF-ZFWWWQNUSA-N 2 1 351.495 -0.615 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000911034033 660059498 /nfs/dbraw/zinc/05/94/98/660059498.db2.gz MAGWRDPLTOILFP-HNNXBMFYSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000911034033 660059496 /nfs/dbraw/zinc/05/94/96/660059496.db2.gz MAGWRDPLTOILFP-HNNXBMFYSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000911034121 660059599 /nfs/dbraw/zinc/05/95/99/660059599.db2.gz MAGWRDPLTOILFP-OAHLLOKOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000911034121 660059598 /nfs/dbraw/zinc/05/95/98/660059598.db2.gz MAGWRDPLTOILFP-OAHLLOKOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034309 660059570 /nfs/dbraw/zinc/05/95/70/660059570.db2.gz NAKSYFRMJYUBQY-KFWWJZLASA-N 2 1 351.495 -0.676 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034309 660059568 /nfs/dbraw/zinc/05/95/68/660059568.db2.gz NAKSYFRMJYUBQY-KFWWJZLASA-N 2 1 351.495 -0.676 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034325 660059611 /nfs/dbraw/zinc/05/96/11/660059611.db2.gz NAKSYFRMJYUBQY-RBSFLKMASA-N 2 1 351.495 -0.676 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034325 660059607 /nfs/dbraw/zinc/05/96/07/660059607.db2.gz NAKSYFRMJYUBQY-RBSFLKMASA-N 2 1 351.495 -0.676 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911034855 660059635 /nfs/dbraw/zinc/05/96/35/660059635.db2.gz QBNVTWAAHMTDRZ-ILXRZTDVSA-N 2 1 351.495 -0.757 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911034855 660059633 /nfs/dbraw/zinc/05/96/33/660059633.db2.gz QBNVTWAAHMTDRZ-ILXRZTDVSA-N 2 1 351.495 -0.757 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911034856 660059698 /nfs/dbraw/zinc/05/96/98/660059698.db2.gz QBNVTWAAHMTDRZ-QLFBSQMISA-N 2 1 351.495 -0.757 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911034856 660059695 /nfs/dbraw/zinc/05/96/95/660059695.db2.gz QBNVTWAAHMTDRZ-QLFBSQMISA-N 2 1 351.495 -0.757 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035238 660059863 /nfs/dbraw/zinc/05/98/63/660059863.db2.gz RZFUYSGHKZZMOY-DZGCQCFKSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035238 660059861 /nfs/dbraw/zinc/05/98/61/660059861.db2.gz RZFUYSGHKZZMOY-DZGCQCFKSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035240 660059892 /nfs/dbraw/zinc/05/98/92/660059892.db2.gz RZFUYSGHKZZMOY-HIFRSBDPSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035240 660059891 /nfs/dbraw/zinc/05/98/91/660059891.db2.gz RZFUYSGHKZZMOY-HIFRSBDPSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035242 660059854 /nfs/dbraw/zinc/05/98/54/660059854.db2.gz RZFUYSGHKZZMOY-UKRRQHHQSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035242 660059852 /nfs/dbraw/zinc/05/98/52/660059852.db2.gz RZFUYSGHKZZMOY-UKRRQHHQSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035244 660059920 /nfs/dbraw/zinc/05/99/20/660059920.db2.gz RZFUYSGHKZZMOY-ZFWWWQNUSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035244 660059919 /nfs/dbraw/zinc/05/99/19/660059919.db2.gz RZFUYSGHKZZMOY-ZFWWWQNUSA-N 2 1 351.495 -0.533 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036636 660059907 /nfs/dbraw/zinc/05/99/07/660059907.db2.gz WTKXVABXDSMXBE-ILXRZTDVSA-N 2 1 351.495 -0.485 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036636 660059906 /nfs/dbraw/zinc/05/99/06/660059906.db2.gz WTKXVABXDSMXBE-ILXRZTDVSA-N 2 1 351.495 -0.485 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036637 660059876 /nfs/dbraw/zinc/05/98/76/660059876.db2.gz WTKXVABXDSMXBE-QLFBSQMISA-N 2 1 351.495 -0.485 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036637 660059875 /nfs/dbraw/zinc/05/98/75/660059875.db2.gz WTKXVABXDSMXBE-QLFBSQMISA-N 2 1 351.495 -0.485 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H](C)O1 ZINC000911052604 660058574 /nfs/dbraw/zinc/05/85/74/660058574.db2.gz DJKMNPIFXODGNP-ARILJUKYSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052605 660058547 /nfs/dbraw/zinc/05/85/47/660058547.db2.gz DJKMNPIFXODGNP-BTFPBAQTSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052606 660058517 /nfs/dbraw/zinc/05/85/17/660058517.db2.gz DJKMNPIFXODGNP-QKGCVVFFSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052606 660058515 /nfs/dbraw/zinc/05/85/15/660058515.db2.gz DJKMNPIFXODGNP-QKGCVVFFSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052607 660058554 /nfs/dbraw/zinc/05/85/54/660058554.db2.gz DJKMNPIFXODGNP-SBJFKYEJSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H](C)O1 ZINC000911052608 660058542 /nfs/dbraw/zinc/05/85/42/660058542.db2.gz DJKMNPIFXODGNP-UXXRCYHCSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052609 660058581 /nfs/dbraw/zinc/05/85/81/660058581.db2.gz DJKMNPIFXODGNP-XPABHHOTSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)O1 ZINC000911052609 660058579 /nfs/dbraw/zinc/05/85/79/660058579.db2.gz DJKMNPIFXODGNP-XPABHHOTSA-N 2 1 352.479 -0.001 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911054301 660058557 /nfs/dbraw/zinc/05/85/57/660058557.db2.gz UJCXVWPTAUASQO-KBXIAJHMSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911054301 660058556 /nfs/dbraw/zinc/05/85/56/660058556.db2.gz UJCXVWPTAUASQO-KBXIAJHMSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000911054302 660058798 /nfs/dbraw/zinc/05/87/98/660058798.db2.gz UJCXVWPTAUASQO-QPSCCSFWSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911054303 660058727 /nfs/dbraw/zinc/05/87/27/660058727.db2.gz UJCXVWPTAUASQO-TUVASFSCSA-N 2 1 354.495 -0.038 20 0 FBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055376 660058821 /nfs/dbraw/zinc/05/88/21/660058821.db2.gz OBMCVAFGFBBCTQ-INIZCTEOSA-N 2 1 353.511 -0.094 20 0 FBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055377 660058764 /nfs/dbraw/zinc/05/87/64/660058764.db2.gz OBMCVAFGFBBCTQ-MRXNPFEDSA-N 2 1 353.511 -0.094 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000911067616 660060543 /nfs/dbraw/zinc/06/05/43/660060543.db2.gz HNGFGEGHKDSZGU-CABCVRRESA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000911067617 660060664 /nfs/dbraw/zinc/06/06/64/660060664.db2.gz HNGFGEGHKDSZGU-GJZGRUSLSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000911067618 660060614 /nfs/dbraw/zinc/06/06/14/660060614.db2.gz HNGFGEGHKDSZGU-HUUCEWRRSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000911067619 660060708 /nfs/dbraw/zinc/06/07/08/660060708.db2.gz HNGFGEGHKDSZGU-LSDHHAIUSA-N 2 1 353.511 -0.511 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911068885 660060640 /nfs/dbraw/zinc/06/06/40/660060640.db2.gz NONOHOWOEACSMF-CVEARBPZSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911068886 660060568 /nfs/dbraw/zinc/06/05/68/660060568.db2.gz NONOHOWOEACSMF-HOTGVXAUSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911068887 660060652 /nfs/dbraw/zinc/06/06/52/660060652.db2.gz NONOHOWOEACSMF-HZPDHXFCSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911068888 660060607 /nfs/dbraw/zinc/06/06/07/660060607.db2.gz NONOHOWOEACSMF-JKSUJKDBSA-N 2 1 353.511 -0.428 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000911069312 660060589 /nfs/dbraw/zinc/06/05/89/660060589.db2.gz RINRVBZNHARONH-BZUAXINKSA-N 2 1 353.511 -0.572 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000911069313 660060658 /nfs/dbraw/zinc/06/06/58/660060658.db2.gz RINRVBZNHARONH-OAGGEKHMSA-N 2 1 353.511 -0.572 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[NH+]1CCN(C)CC1 ZINC000911069477 660060557 /nfs/dbraw/zinc/06/05/57/660060557.db2.gz UPFSIPMOXMCGRS-JJXSEGSLSA-N 2 1 351.495 -0.616 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[NH+]1CCN(C)CC1 ZINC000911069478 660060714 /nfs/dbraw/zinc/06/07/14/660060714.db2.gz UPFSIPMOXMCGRS-QKPAOTATSA-N 2 1 351.495 -0.616 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[NH+]1CCN(C)CC1 ZINC000911069479 660060627 /nfs/dbraw/zinc/06/06/27/660060627.db2.gz UPFSIPMOXMCGRS-QXSJWSMHSA-N 2 1 351.495 -0.616 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[NH+]1CCN(C)CC1 ZINC000911069480 660060575 /nfs/dbraw/zinc/06/05/75/660060575.db2.gz UPFSIPMOXMCGRS-ZJIFWQFVSA-N 2 1 351.495 -0.616 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000911070007 660060996 /nfs/dbraw/zinc/06/09/96/660060996.db2.gz YQMDJIKMDGZJML-BMFZPTHFSA-N 2 1 354.495 -0.036 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000911070008 660060819 /nfs/dbraw/zinc/06/08/19/660060819.db2.gz YQMDJIKMDGZJML-FVQBIDKESA-N 2 1 354.495 -0.036 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000911070030 660060826 /nfs/dbraw/zinc/06/08/26/660060826.db2.gz ZAQQIHHYJBXAAU-INIZCTEOSA-N 2 1 355.527 -0.169 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000911070031 660060917 /nfs/dbraw/zinc/06/09/17/660060917.db2.gz ZAQQIHHYJBXAAU-MRXNPFEDSA-N 2 1 355.527 -0.169 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000911070039 660060909 /nfs/dbraw/zinc/06/09/09/660060909.db2.gz ZIYMNEIRWBWXSX-OWCLPIDISA-N 2 1 353.511 -0.654 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000911070040 660060771 /nfs/dbraw/zinc/06/07/71/660060771.db2.gz ZIYMNEIRWBWXSX-PMPSAXMXSA-N 2 1 353.511 -0.654 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911070099 660060957 /nfs/dbraw/zinc/06/09/57/660060957.db2.gz ZZMLSZHFDSVBJZ-OWCLPIDISA-N 2 1 353.511 -0.382 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000911070101 660060839 /nfs/dbraw/zinc/06/08/39/660060839.db2.gz ZZMLSZHFDSVBJZ-PMPSAXMXSA-N 2 1 353.511 -0.382 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911071698 660060984 /nfs/dbraw/zinc/06/09/84/660060984.db2.gz DCORDIWFZOVQAB-AWEZNQCLSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911071699 660060853 /nfs/dbraw/zinc/06/08/53/660060853.db2.gz DCORDIWFZOVQAB-CQSZACIVSA-N 2 1 350.463 -0.290 20 0 FBADMP COC[C@H](C)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911072303 660060993 /nfs/dbraw/zinc/06/09/93/660060993.db2.gz IPFABLIWUJVODI-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP COC[C@H](C)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911072303 660060991 /nfs/dbraw/zinc/06/09/91/660060991.db2.gz IPFABLIWUJVODI-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP COC[C@@H](C)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911072305 660060900 /nfs/dbraw/zinc/06/09/00/660060900.db2.gz IPFABLIWUJVODI-CWRNSKLLSA-N 2 1 352.479 -0.188 20 0 FBADMP COC[C@@H](C)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911072305 660060898 /nfs/dbraw/zinc/06/08/98/660060898.db2.gz IPFABLIWUJVODI-CWRNSKLLSA-N 2 1 352.479 -0.188 20 0 FBADMP O=C(NCCCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000911072996 660060868 /nfs/dbraw/zinc/06/08/68/660060868.db2.gz OOSPIBRDQQCMLK-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911072996 660060864 /nfs/dbraw/zinc/06/08/64/660060864.db2.gz OOSPIBRDQQCMLK-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000911072997 660060972 /nfs/dbraw/zinc/06/09/72/660060972.db2.gz OOSPIBRDQQCMLK-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(NCCCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911072997 660060970 /nfs/dbraw/zinc/06/09/70/660060970.db2.gz OOSPIBRDQQCMLK-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911073536 660060844 /nfs/dbraw/zinc/06/08/44/660060844.db2.gz UHUOQOCBAVHHNO-KBPBESRZSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911073537 660060981 /nfs/dbraw/zinc/06/09/81/660060981.db2.gz UHUOQOCBAVHHNO-KGLIPLIRSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911073538 660060808 /nfs/dbraw/zinc/06/08/08/660060808.db2.gz UHUOQOCBAVHHNO-UONOGXRCSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911073539 660060923 /nfs/dbraw/zinc/06/09/23/660060923.db2.gz UHUOQOCBAVHHNO-ZIAGYGMSSA-N 2 1 350.463 -0.386 20 0 FBADMP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000911074056 660060931 /nfs/dbraw/zinc/06/09/31/660060931.db2.gz YQECSEVXROCIHN-DZGCQCFKSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000911074057 660060787 /nfs/dbraw/zinc/06/07/87/660060787.db2.gz YQECSEVXROCIHN-HIFRSBDPSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000911074058 660060963 /nfs/dbraw/zinc/06/09/63/660060963.db2.gz YQECSEVXROCIHN-UKRRQHHQSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000911074059 660060883 /nfs/dbraw/zinc/06/08/83/660060883.db2.gz YQECSEVXROCIHN-ZFWWWQNUSA-N 2 1 350.463 -0.304 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911080131 660060359 /nfs/dbraw/zinc/06/03/59/660060359.db2.gz MGZUEYVDSURHAG-INIZCTEOSA-N 2 1 353.511 -0.508 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911080141 660060400 /nfs/dbraw/zinc/06/04/00/660060400.db2.gz MGZUEYVDSURHAG-MRXNPFEDSA-N 2 1 353.511 -0.508 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911081170 660060415 /nfs/dbraw/zinc/06/04/15/660060415.db2.gz UROZURMUPDSREB-CRAIPNDOSA-N 2 1 354.495 -0.217 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911081171 660060336 /nfs/dbraw/zinc/06/03/36/660060336.db2.gz UROZURMUPDSREB-MAUKXSAKSA-N 2 1 354.495 -0.217 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911081172 660060271 /nfs/dbraw/zinc/06/02/71/660060271.db2.gz UROZURMUPDSREB-QAPCUYQASA-N 2 1 354.495 -0.217 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911081173 660060384 /nfs/dbraw/zinc/06/03/84/660060384.db2.gz UROZURMUPDSREB-YJBOKZPZSA-N 2 1 354.495 -0.217 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000911081780 660060316 /nfs/dbraw/zinc/06/03/16/660060316.db2.gz XFTNQQXCUBGZKO-CVEARBPZSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000911081782 660060392 /nfs/dbraw/zinc/06/03/92/660060392.db2.gz XFTNQQXCUBGZKO-HOTGVXAUSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000911081783 660060261 /nfs/dbraw/zinc/06/02/61/660060261.db2.gz XFTNQQXCUBGZKO-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000911081785 660060369 /nfs/dbraw/zinc/06/03/69/660060369.db2.gz XFTNQQXCUBGZKO-JKSUJKDBSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[C@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911088250 660061932 /nfs/dbraw/zinc/06/19/32/660061932.db2.gz MEKIJCPKONEPQU-BMFZPTHFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911088250 660061929 /nfs/dbraw/zinc/06/19/29/660061929.db2.gz MEKIJCPKONEPQU-BMFZPTHFSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911088251 660061892 /nfs/dbraw/zinc/06/18/92/660061892.db2.gz MEKIJCPKONEPQU-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[C@@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911088251 660061890 /nfs/dbraw/zinc/06/18/90/660061890.db2.gz MEKIJCPKONEPQU-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911090861 660061201 /nfs/dbraw/zinc/06/12/01/660061201.db2.gz HTEJOTQNLURZLS-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911090862 660061232 /nfs/dbraw/zinc/06/12/32/660061232.db2.gz HTEJOTQNLURZLS-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911091319 660061190 /nfs/dbraw/zinc/06/11/90/660061190.db2.gz LBMMRBOATFAARU-HNNXBMFYSA-N 2 1 353.511 -0.238 20 0 FBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911091320 660061239 /nfs/dbraw/zinc/06/12/39/660061239.db2.gz LBMMRBOATFAARU-OAHLLOKOSA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1(C)C ZINC000911095573 660061254 /nfs/dbraw/zinc/06/12/54/660061254.db2.gz CXBCJKWIHUMZBL-GOSISDBHSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1(C)C ZINC000911095574 660061242 /nfs/dbraw/zinc/06/12/42/660061242.db2.gz CXBCJKWIHUMZBL-SFHVURJKSA-N 2 1 351.495 -0.517 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095916 660061247 /nfs/dbraw/zinc/06/12/47/660061247.db2.gz GXZNABVVIDWXOV-KBXCAEBGSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095917 660061186 /nfs/dbraw/zinc/06/11/86/660061186.db2.gz GXZNABVVIDWXOV-KDOFPFPSSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095918 660061215 /nfs/dbraw/zinc/06/12/15/660061215.db2.gz GXZNABVVIDWXOV-KSSFIOAISA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095920 660061345 /nfs/dbraw/zinc/06/13/45/660061345.db2.gz GXZNABVVIDWXOV-RDTXWAMCSA-N 2 1 351.495 -0.532 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000911096067 660061460 /nfs/dbraw/zinc/06/14/60/660061460.db2.gz IELPICVFNMVTFX-HUUCEWRRSA-N 2 1 353.511 -0.510 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096866 660061365 /nfs/dbraw/zinc/06/13/65/660061365.db2.gz LXAZVEDEZZMSBE-HNNXBMFYSA-N 2 1 353.511 -0.223 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096868 660061331 /nfs/dbraw/zinc/06/13/31/660061331.db2.gz LXAZVEDEZZMSBE-OAHLLOKOSA-N 2 1 353.511 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1CC[NH3+] ZINC000911097473 660061388 /nfs/dbraw/zinc/06/13/88/660061388.db2.gz QWXXKQMMEWAQNK-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911098132 660061394 /nfs/dbraw/zinc/06/13/94/660061394.db2.gz ASDKUOIOEJSSKM-INIZCTEOSA-N 2 1 353.511 -0.271 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1(C)C ZINC000911098175 660061401 /nfs/dbraw/zinc/06/14/01/660061401.db2.gz YVUWOVCAMJUQHO-LSDHHAIUSA-N 2 1 351.495 -0.804 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000911098185 660061448 /nfs/dbraw/zinc/06/14/48/660061448.db2.gz ZBDKJMNBLUNLGS-HNNXBMFYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098192 660061468 /nfs/dbraw/zinc/06/14/68/660061468.db2.gz ZCUXWLXOXXYIPA-CABCVRRESA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098194 660061352 /nfs/dbraw/zinc/06/13/52/660061352.db2.gz ZCUXWLXOXXYIPA-GJZGRUSLSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098195 660061510 /nfs/dbraw/zinc/06/15/10/660061510.db2.gz ZCUXWLXOXXYIPA-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098197 660061320 /nfs/dbraw/zinc/06/13/20/660061320.db2.gz ZCUXWLXOXXYIPA-LSDHHAIUSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099337 660061485 /nfs/dbraw/zinc/06/14/85/660061485.db2.gz LOUBKGFEZLGWLE-HUUCEWRRSA-N 2 1 353.511 -0.510 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911099697 660061440 /nfs/dbraw/zinc/06/14/40/660061440.db2.gz AAHBUTYFNQKFRM-INIZCTEOSA-N 2 1 353.511 -0.223 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911099698 660061361 /nfs/dbraw/zinc/06/13/61/660061361.db2.gz AAHBUTYFNQKFRM-MRXNPFEDSA-N 2 1 353.511 -0.223 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)CCC(F)(F)F ZINC000911100633 660061504 /nfs/dbraw/zinc/06/15/04/660061504.db2.gz KAXYJYZXDNZJMG-AWEZNQCLSA-N 2 1 368.400 -0.311 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)CCC(F)(F)F ZINC000911100633 660061503 /nfs/dbraw/zinc/06/15/03/660061503.db2.gz KAXYJYZXDNZJMG-AWEZNQCLSA-N 2 1 368.400 -0.311 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)CCC(F)(F)F ZINC000911100634 660061480 /nfs/dbraw/zinc/06/14/80/660061480.db2.gz KAXYJYZXDNZJMG-CQSZACIVSA-N 2 1 368.400 -0.311 20 0 FBADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)CCC(F)(F)F ZINC000911100634 660061477 /nfs/dbraw/zinc/06/14/77/660061477.db2.gz KAXYJYZXDNZJMG-CQSZACIVSA-N 2 1 368.400 -0.311 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1CC[NH3+] ZINC000911100731 660061701 /nfs/dbraw/zinc/06/17/01/660061701.db2.gz SXZNDVIEELSSLD-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911101734 660061578 /nfs/dbraw/zinc/06/15/78/660061578.db2.gz NFBSOGLJNWOKSC-GOSISDBHSA-N 2 1 351.495 -0.517 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911101736 660061717 /nfs/dbraw/zinc/06/17/17/660061717.db2.gz NFBSOGLJNWOKSC-SFHVURJKSA-N 2 1 351.495 -0.517 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911101738 660061636 /nfs/dbraw/zinc/06/16/36/660061636.db2.gz NGGONOHFQLRYQL-LSDHHAIUSA-N 2 1 351.495 -0.804 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[C@H]1C[NH3+] ZINC000911102233 660061693 /nfs/dbraw/zinc/06/16/93/660061693.db2.gz OSVBHBHLLZVOES-CABCVRRESA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[C@H]1C[NH3+] ZINC000911102235 660061614 /nfs/dbraw/zinc/06/16/14/660061614.db2.gz OSVBHBHLLZVOES-GJZGRUSLSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000911102237 660061658 /nfs/dbraw/zinc/06/16/58/660061658.db2.gz OSVBHBHLLZVOES-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000911102239 660061689 /nfs/dbraw/zinc/06/16/89/660061689.db2.gz OSVBHBHLLZVOES-LSDHHAIUSA-N 2 1 353.511 -0.428 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911103501 660061630 /nfs/dbraw/zinc/06/16/30/660061630.db2.gz YJCDLFGXUKVOFF-KBXCAEBGSA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911103502 660061600 /nfs/dbraw/zinc/06/16/00/660061600.db2.gz YJCDLFGXUKVOFF-KDOFPFPSSA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911103503 660061646 /nfs/dbraw/zinc/06/16/46/660061646.db2.gz YJCDLFGXUKVOFF-KSSFIOAISA-N 2 1 351.495 -0.532 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911103504 660061664 /nfs/dbraw/zinc/06/16/64/660061664.db2.gz YJCDLFGXUKVOFF-RDTXWAMCSA-N 2 1 351.495 -0.532 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CCC1 ZINC000911113059 660062682 /nfs/dbraw/zinc/06/26/82/660062682.db2.gz GSULZAAWVRMECM-UHFFFAOYSA-N 2 1 353.511 -0.221 20 0 FBADMP CC(C)OCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911122821 660061802 /nfs/dbraw/zinc/06/18/02/660061802.db2.gz FIDJHTDHQZIJOA-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)OCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911122821 660061799 /nfs/dbraw/zinc/06/17/99/660061799.db2.gz FIDJHTDHQZIJOA-IYBDPMFKSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+])C[NH+]1CCOCC1 ZINC000911137743 660062421 /nfs/dbraw/zinc/06/24/21/660062421.db2.gz HICZTZWAEPTTCX-IIDMSEBBSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+])C[NH+]1CCOCC1 ZINC000911137745 660062296 /nfs/dbraw/zinc/06/22/96/660062296.db2.gz HICZTZWAEPTTCX-RKVPGOIHSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+])C[NH+]1CCOCC1 ZINC000911137747 660062435 /nfs/dbraw/zinc/06/24/35/660062435.db2.gz HICZTZWAEPTTCX-RVKKMQEKSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+])C[NH+]1CCOCC1 ZINC000911137749 660062419 /nfs/dbraw/zinc/06/24/19/660062419.db2.gz HICZTZWAEPTTCX-VKJFTORMSA-N 2 1 352.479 -0.199 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911137971 660062334 /nfs/dbraw/zinc/06/23/34/660062334.db2.gz JSJMNYWAALMCDQ-UHFFFAOYSA-N 2 1 350.467 -0.501 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000911137981 660062357 /nfs/dbraw/zinc/06/23/57/660062357.db2.gz JXSCVLCRVOQLMV-AWEZNQCLSA-N 2 1 356.467 -0.963 20 0 FBADMP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000911137982 660062312 /nfs/dbraw/zinc/06/23/12/660062312.db2.gz JXSCVLCRVOQLMV-CQSZACIVSA-N 2 1 356.467 -0.963 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C[NH+]1CCOCC1 ZINC000911138285 660062402 /nfs/dbraw/zinc/06/24/02/660062402.db2.gz MRNACTCVBHJKHK-CRAIPNDOSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C[NH+]1CCOCC1 ZINC000911138286 660062433 /nfs/dbraw/zinc/06/24/33/660062433.db2.gz MRNACTCVBHJKHK-MAUKXSAKSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C[NH+]1CCOCC1 ZINC000911138287 660062386 /nfs/dbraw/zinc/06/23/86/660062386.db2.gz MRNACTCVBHJKHK-QAPCUYQASA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C[NH+]1CCOCC1 ZINC000911138288 660062423 /nfs/dbraw/zinc/06/24/23/660062423.db2.gz MRNACTCVBHJKHK-YJBOKZPZSA-N 2 1 352.479 -0.185 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000911138364 660062390 /nfs/dbraw/zinc/06/23/90/660062390.db2.gz OOTNMWHLMICDAN-IJLUTSLNSA-N 2 1 366.384 -0.581 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000911138365 660062431 /nfs/dbraw/zinc/06/24/31/660062431.db2.gz OOTNMWHLMICDAN-QJPTWQEYSA-N 2 1 366.384 -0.581 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C[NH+]1CCOCC1 ZINC000911139099 660062329 /nfs/dbraw/zinc/06/23/29/660062329.db2.gz WRNSMMQXINTGAJ-HDMKZQKVSA-N 2 1 352.479 -0.281 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C[NH+]1CCOCC1 ZINC000911139101 660062428 /nfs/dbraw/zinc/06/24/28/660062428.db2.gz WRNSMMQXINTGAJ-IIDMSEBBSA-N 2 1 352.479 -0.281 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911146352 660062958 /nfs/dbraw/zinc/06/29/58/660062958.db2.gz AKDGKHLMLIRZGG-JTOWHCCKSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911146355 660062968 /nfs/dbraw/zinc/06/29/68/660062968.db2.gz AKDGKHLMLIRZGG-LUXYFRNMSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911146358 660062961 /nfs/dbraw/zinc/06/29/61/660062961.db2.gz AKDGKHLMLIRZGG-OIPACUDHSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911146360 660062964 /nfs/dbraw/zinc/06/29/64/660062964.db2.gz AKDGKHLMLIRZGG-YRBFXIGRSA-N 2 1 350.463 -0.304 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147806 660062868 /nfs/dbraw/zinc/06/28/68/660062868.db2.gz JQYLRVAGIBQXAB-DDHJBXDOSA-N 2 1 364.368 -0.686 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147807 660062945 /nfs/dbraw/zinc/06/29/45/660062945.db2.gz JQYLRVAGIBQXAB-IRCOFANPSA-N 2 1 364.368 -0.686 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147808 660062917 /nfs/dbraw/zinc/06/29/17/660062917.db2.gz JQYLRVAGIBQXAB-NNYUYHANSA-N 2 1 364.368 -0.686 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147809 660062952 /nfs/dbraw/zinc/06/29/52/660062952.db2.gz JQYLRVAGIBQXAB-WRWGMCAJSA-N 2 1 364.368 -0.686 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149232 660062881 /nfs/dbraw/zinc/06/28/81/660062881.db2.gz VEZODLFJNKFQJT-ATNYBXOESA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149235 660062850 /nfs/dbraw/zinc/06/28/50/660062850.db2.gz VEZODLFJNKFQJT-BASYENTBSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149237 660062980 /nfs/dbraw/zinc/06/29/80/660062980.db2.gz VEZODLFJNKFQJT-LUXYFRNMSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149241 660062892 /nfs/dbraw/zinc/06/28/92/660062892.db2.gz VEZODLFJNKFQJT-OIPACUDHSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149540 660062900 /nfs/dbraw/zinc/06/29/00/660062900.db2.gz XHOWITCXPVALAU-DAYGRLMNSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149541 660062984 /nfs/dbraw/zinc/06/29/84/660062984.db2.gz XHOWITCXPVALAU-HDMKZQKVSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149542 660062940 /nfs/dbraw/zinc/06/29/40/660062940.db2.gz XHOWITCXPVALAU-IIDMSEBBSA-N 2 1 350.463 -0.290 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149543 660062874 /nfs/dbraw/zinc/06/28/74/660062874.db2.gz XHOWITCXPVALAU-RKVPGOIHSA-N 2 1 350.463 -0.290 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911156680 660063238 /nfs/dbraw/zinc/06/32/38/660063238.db2.gz QAGDCOCXBYLHQB-GHMZBOCLSA-N 2 1 354.373 -0.581 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911156681 660063086 /nfs/dbraw/zinc/06/30/86/660063086.db2.gz QAGDCOCXBYLHQB-MNOVXSKESA-N 2 1 354.373 -0.581 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911156682 660063161 /nfs/dbraw/zinc/06/31/61/660063161.db2.gz QAGDCOCXBYLHQB-QWRGUYRKSA-N 2 1 354.373 -0.581 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911156683 660063309 /nfs/dbraw/zinc/06/33/09/660063309.db2.gz QAGDCOCXBYLHQB-WDEREUQCSA-N 2 1 354.373 -0.581 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911156699 660063204 /nfs/dbraw/zinc/06/32/04/660063204.db2.gz QFQJKRWCIADFBQ-AWEZNQCLSA-N 2 1 356.467 -0.963 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911156701 660063132 /nfs/dbraw/zinc/06/31/32/660063132.db2.gz QFQJKRWCIADFBQ-CQSZACIVSA-N 2 1 356.467 -0.963 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911158430 660063188 /nfs/dbraw/zinc/06/31/88/660063188.db2.gz ZPPXAKCNBZYKKF-UHFFFAOYSA-N 2 1 356.467 -0.948 20 0 FBADMP C[N@@H+](CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CCCCC1 ZINC000911160361 660063115 /nfs/dbraw/zinc/06/31/15/660063115.db2.gz BYTGXHLGDLRWEP-UHFFFAOYSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911160788 660063287 /nfs/dbraw/zinc/06/32/87/660063287.db2.gz CEXYWHLUQOFEGX-DBIOUOCHSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911160788 660063283 /nfs/dbraw/zinc/06/32/83/660063283.db2.gz CEXYWHLUQOFEGX-DBIOUOCHSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911160795 660063222 /nfs/dbraw/zinc/06/32/22/660063222.db2.gz CEXYWHLUQOFEGX-GWOFURMSSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911160795 660063220 /nfs/dbraw/zinc/06/32/20/660063220.db2.gz CEXYWHLUQOFEGX-GWOFURMSSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911160796 660063304 /nfs/dbraw/zinc/06/33/04/660063304.db2.gz CEXYWHLUQOFEGX-LNFKQOIKSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911160796 660063300 /nfs/dbraw/zinc/06/33/00/660063300.db2.gz CEXYWHLUQOFEGX-LNFKQOIKSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911160797 660063157 /nfs/dbraw/zinc/06/31/57/660063157.db2.gz CEXYWHLUQOFEGX-ZDCRXTMVSA-N 2 1 352.357 -0.830 20 0 FBADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911160797 660063156 /nfs/dbraw/zinc/06/31/56/660063156.db2.gz CEXYWHLUQOFEGX-ZDCRXTMVSA-N 2 1 352.357 -0.830 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000911161042 660063480 /nfs/dbraw/zinc/06/34/80/660063480.db2.gz DXHBZAKJQNZKNV-UYTSQGDYSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000911161043 660063596 /nfs/dbraw/zinc/06/35/96/660063596.db2.gz DXHBZAKJQNZKNV-WTXIUTQJSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911161230 660063594 /nfs/dbraw/zinc/06/35/94/660063594.db2.gz JCFOMEPPXSPTTP-DAYGRLMNSA-N 2 1 354.495 -0.217 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911161233 660063545 /nfs/dbraw/zinc/06/35/45/660063545.db2.gz JCFOMEPPXSPTTP-RVKKMQEKSA-N 2 1 354.495 -0.217 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000911161916 660063587 /nfs/dbraw/zinc/06/35/87/660063587.db2.gz MNRXPZHUQCXNRZ-HNNXBMFYSA-N 2 1 351.451 -0.075 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000911161917 660063460 /nfs/dbraw/zinc/06/34/60/660063460.db2.gz MNRXPZHUQCXNRZ-OAHLLOKOSA-N 2 1 351.451 -0.075 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163011 660063559 /nfs/dbraw/zinc/06/35/59/660063559.db2.gz BKRVVUHVDNQLRJ-BBRMVZONSA-N 2 1 354.476 -0.221 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163013 660063398 /nfs/dbraw/zinc/06/33/98/660063398.db2.gz BKRVVUHVDNQLRJ-CJNGLKHVSA-N 2 1 354.476 -0.221 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163014 660063523 /nfs/dbraw/zinc/06/35/23/660063523.db2.gz BKRVVUHVDNQLRJ-CZUORRHYSA-N 2 1 354.476 -0.221 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163016 660063531 /nfs/dbraw/zinc/06/35/31/660063531.db2.gz BKRVVUHVDNQLRJ-XJKSGUPXSA-N 2 1 354.476 -0.221 20 0 FBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911163775 660063827 /nfs/dbraw/zinc/06/38/27/660063827.db2.gz YJUILCSUEXUDQL-IYBDPMFKSA-N 2 1 353.511 -0.508 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163903 660063769 /nfs/dbraw/zinc/06/37/69/660063769.db2.gz ZNIMIFSSHXTBEQ-BJDJZHNGSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911163903 660063767 /nfs/dbraw/zinc/06/37/67/660063767.db2.gz ZNIMIFSSHXTBEQ-BJDJZHNGSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911163904 660063815 /nfs/dbraw/zinc/06/38/15/660063815.db2.gz ZNIMIFSSHXTBEQ-FIQHERPVSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911163904 660063814 /nfs/dbraw/zinc/06/38/14/660063814.db2.gz ZNIMIFSSHXTBEQ-FIQHERPVSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911163905 660063670 /nfs/dbraw/zinc/06/36/70/660063670.db2.gz ZNIMIFSSHXTBEQ-NNYUYHANSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911163905 660063668 /nfs/dbraw/zinc/06/36/68/660063668.db2.gz ZNIMIFSSHXTBEQ-NNYUYHANSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163906 660063725 /nfs/dbraw/zinc/06/37/25/660063725.db2.gz ZNIMIFSSHXTBEQ-YFKTTZPYSA-N 2 1 366.384 -0.440 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911163906 660063724 /nfs/dbraw/zinc/06/37/24/660063724.db2.gz ZNIMIFSSHXTBEQ-YFKTTZPYSA-N 2 1 366.384 -0.440 20 0 FBADMP COCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911171662 660064558 /nfs/dbraw/zinc/06/45/58/660064558.db2.gz JWLXDUGIMZCMDG-BMFZPTHFSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911171662 660064553 /nfs/dbraw/zinc/06/45/53/660064553.db2.gz JWLXDUGIMZCMDG-BMFZPTHFSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911171663 660064704 /nfs/dbraw/zinc/06/47/04/660064704.db2.gz JWLXDUGIMZCMDG-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP COCC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911171663 660064702 /nfs/dbraw/zinc/06/47/02/660064702.db2.gz JWLXDUGIMZCMDG-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175226 660064525 /nfs/dbraw/zinc/06/45/25/660064525.db2.gz FLZQDRLOIZLDNA-NEPJUHHUSA-N 2 1 368.400 -0.191 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175227 660064720 /nfs/dbraw/zinc/06/47/20/660064720.db2.gz FLZQDRLOIZLDNA-NWDGAFQWSA-N 2 1 368.400 -0.191 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175228 660064630 /nfs/dbraw/zinc/06/46/30/660064630.db2.gz FLZQDRLOIZLDNA-RYUDHWBXSA-N 2 1 368.400 -0.191 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175229 660064748 /nfs/dbraw/zinc/06/47/48/660064748.db2.gz FLZQDRLOIZLDNA-VXGBXAGGSA-N 2 1 368.400 -0.191 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911177785 660064824 /nfs/dbraw/zinc/06/48/24/660064824.db2.gz WBGQMZDARNCMIW-GHMZBOCLSA-N 2 1 354.373 -0.581 20 0 FBADMP COCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911184343 660063689 /nfs/dbraw/zinc/06/36/89/660063689.db2.gz SVAXDYFJWJTKMI-IYBDPMFKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911184343 660063687 /nfs/dbraw/zinc/06/36/87/660063687.db2.gz SVAXDYFJWJTKMI-IYBDPMFKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911185465 660064027 /nfs/dbraw/zinc/06/40/27/660064027.db2.gz FXLXASFCEBKJPJ-CRAIPNDOSA-N 2 1 354.495 -0.073 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911185466 660063954 /nfs/dbraw/zinc/06/39/54/660063954.db2.gz FXLXASFCEBKJPJ-MAUKXSAKSA-N 2 1 354.495 -0.073 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911185467 660064082 /nfs/dbraw/zinc/06/40/82/660064082.db2.gz FXLXASFCEBKJPJ-QAPCUYQASA-N 2 1 354.495 -0.073 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911185468 660064005 /nfs/dbraw/zinc/06/40/05/660064005.db2.gz FXLXASFCEBKJPJ-YJBOKZPZSA-N 2 1 354.495 -0.073 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911185477 660064107 /nfs/dbraw/zinc/06/41/07/660064107.db2.gz GISBDGFEHSJQSS-HNNXBMFYSA-N 2 1 353.511 -0.366 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911185478 660063897 /nfs/dbraw/zinc/06/38/97/660063897.db2.gz GISBDGFEHSJQSS-OAHLLOKOSA-N 2 1 353.511 -0.366 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185483 660064073 /nfs/dbraw/zinc/06/40/73/660064073.db2.gz GKIGZRWWQBVALY-CRAIPNDOSA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185484 660064084 /nfs/dbraw/zinc/06/40/84/660064084.db2.gz GKIGZRWWQBVALY-MAUKXSAKSA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911185485 660063931 /nfs/dbraw/zinc/06/39/31/660063931.db2.gz GKIGZRWWQBVALY-QAPCUYQASA-N 2 1 351.495 -0.530 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911185486 660063996 /nfs/dbraw/zinc/06/39/96/660063996.db2.gz GKIGZRWWQBVALY-YJBOKZPZSA-N 2 1 351.495 -0.530 20 0 FBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911185545 660064123 /nfs/dbraw/zinc/06/41/23/660064123.db2.gz HUCLTUXXIAMFDM-INIZCTEOSA-N 2 1 353.511 -0.364 20 0 FBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911185546 660064094 /nfs/dbraw/zinc/06/40/94/660064094.db2.gz HUCLTUXXIAMFDM-MRXNPFEDSA-N 2 1 353.511 -0.364 20 0 FBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911185889 660063922 /nfs/dbraw/zinc/06/39/22/660063922.db2.gz KVDMKGZPHGIZQJ-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911185890 660063937 /nfs/dbraw/zinc/06/39/37/660063937.db2.gz KVDMKGZPHGIZQJ-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911186622 660064102 /nfs/dbraw/zinc/06/41/02/660064102.db2.gz JHSIMZFWGCDQGA-AWEZNQCLSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911186623 660064059 /nfs/dbraw/zinc/06/40/59/660064059.db2.gz JHSIMZFWGCDQGA-CQSZACIVSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000911187156 660063965 /nfs/dbraw/zinc/06/39/65/660063965.db2.gz QQPYWSKKEWMMLP-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911187837 660064264 /nfs/dbraw/zinc/06/42/64/660064264.db2.gz UCYLWDCKVCHPLT-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911187838 660064425 /nfs/dbraw/zinc/06/44/25/660064425.db2.gz UCYLWDCKVCHPLT-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911188287 660064315 /nfs/dbraw/zinc/06/43/15/660064315.db2.gz ULABKZCHXBLDKZ-IJLUTSLNSA-N 2 1 366.384 -0.439 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911188288 660064358 /nfs/dbraw/zinc/06/43/58/660064358.db2.gz ULABKZCHXBLDKZ-QJPTWQEYSA-N 2 1 366.384 -0.439 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911188756 660064337 /nfs/dbraw/zinc/06/43/37/660064337.db2.gz YHOFKDOBOCMTLD-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911188758 660064418 /nfs/dbraw/zinc/06/44/18/660064418.db2.gz YHOFKDOBOCMTLD-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CC1 ZINC000911188832 660064278 /nfs/dbraw/zinc/06/42/78/660064278.db2.gz XJPCDQXIKCDTMT-HNNXBMFYSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CC1 ZINC000911188833 660064404 /nfs/dbraw/zinc/06/44/04/660064404.db2.gz XJPCDQXIKCDTMT-OAHLLOKOSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000911189227 660064380 /nfs/dbraw/zinc/06/43/80/660064380.db2.gz ZBBNITMZDJUKEF-UHFFFAOYSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911192550 660064429 /nfs/dbraw/zinc/06/44/29/660064429.db2.gz BYVSJNMAOLNBNL-AWEZNQCLSA-N 2 1 356.467 -0.820 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911192552 660064223 /nfs/dbraw/zinc/06/42/23/660064223.db2.gz BYVSJNMAOLNBNL-CQSZACIVSA-N 2 1 356.467 -0.820 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911193014 660064344 /nfs/dbraw/zinc/06/43/44/660064344.db2.gz GQLCMBAPOSLLGE-HDMKZQKVSA-N 2 1 352.479 -0.138 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911193015 660064252 /nfs/dbraw/zinc/06/42/52/660064252.db2.gz GQLCMBAPOSLLGE-IIDMSEBBSA-N 2 1 352.479 -0.138 20 0 FBADMP CC(C)(O)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911193546 660064669 /nfs/dbraw/zinc/06/46/69/660064669.db2.gz BVJPZVIEIUUSJB-GASCZTMLSA-N 2 1 352.479 -0.309 20 0 FBADMP CC(C)(O)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911193546 660064665 /nfs/dbraw/zinc/06/46/65/660064665.db2.gz BVJPZVIEIUUSJB-GASCZTMLSA-N 2 1 352.479 -0.309 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911194460 660064739 /nfs/dbraw/zinc/06/47/39/660064739.db2.gz NIOIFLXSMDLFNK-CRAIPNDOSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911194461 660064650 /nfs/dbraw/zinc/06/46/50/660064650.db2.gz NIOIFLXSMDLFNK-MAUKXSAKSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911194462 660064584 /nfs/dbraw/zinc/06/45/84/660064584.db2.gz NIOIFLXSMDLFNK-QAPCUYQASA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911194463 660064676 /nfs/dbraw/zinc/06/46/76/660064676.db2.gz NIOIFLXSMDLFNK-YJBOKZPZSA-N 2 1 352.479 -0.042 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000911196323 660065310 /nfs/dbraw/zinc/06/53/10/660065310.db2.gz WPWFGLDZIWIAKA-CABCVRRESA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000911196326 660065453 /nfs/dbraw/zinc/06/54/53/660065453.db2.gz WPWFGLDZIWIAKA-GJZGRUSLSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000911196329 660065320 /nfs/dbraw/zinc/06/53/20/660065320.db2.gz WPWFGLDZIWIAKA-HUUCEWRRSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000911196331 660065422 /nfs/dbraw/zinc/06/54/22/660065422.db2.gz WPWFGLDZIWIAKA-LSDHHAIUSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911196346 660065435 /nfs/dbraw/zinc/06/54/35/660065435.db2.gz WRNPPRLVBQZCOB-DAYGRLMNSA-N 2 1 352.479 -0.057 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911196349 660065370 /nfs/dbraw/zinc/06/53/70/660065370.db2.gz WRNPPRLVBQZCOB-HDMKZQKVSA-N 2 1 352.479 -0.057 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911196352 660065392 /nfs/dbraw/zinc/06/53/92/660065392.db2.gz WRNPPRLVBQZCOB-IIDMSEBBSA-N 2 1 352.479 -0.057 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911196354 660065307 /nfs/dbraw/zinc/06/53/07/660065307.db2.gz WRNPPRLVBQZCOB-RKVPGOIHSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000911205338 660064928 /nfs/dbraw/zinc/06/49/28/660064928.db2.gz JSSNVAXZIPVLET-KBPBESRZSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000911205340 660064911 /nfs/dbraw/zinc/06/49/11/660064911.db2.gz JSSNVAXZIPVLET-KGLIPLIRSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000911205342 660065196 /nfs/dbraw/zinc/06/51/96/660065196.db2.gz JSSNVAXZIPVLET-UONOGXRCSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000911205343 660065114 /nfs/dbraw/zinc/06/51/14/660065114.db2.gz JSSNVAXZIPVLET-ZIAGYGMSSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[N@@H+](C)C1CC1 ZINC000911208167 660065097 /nfs/dbraw/zinc/06/50/97/660065097.db2.gz WKPKLUIMHCVVPT-DZGCQCFKSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[N@@H+](C)C1CC1 ZINC000911208168 660065151 /nfs/dbraw/zinc/06/51/51/660065151.db2.gz WKPKLUIMHCVVPT-HIFRSBDPSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[N@@H+](C)C1CC1 ZINC000911208169 660065057 /nfs/dbraw/zinc/06/50/57/660065057.db2.gz WKPKLUIMHCVVPT-UKRRQHHQSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[N@@H+](C)C1CC1 ZINC000911208170 660065077 /nfs/dbraw/zinc/06/50/77/660065077.db2.gz WKPKLUIMHCVVPT-ZFWWWQNUSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)[N@@H+](C)C1CC1 ZINC000911208241 660065065 /nfs/dbraw/zinc/06/50/65/660065065.db2.gz WVJSMXWPFZFJSK-AWEZNQCLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)[N@@H+](C)C1CC1 ZINC000911208243 660065172 /nfs/dbraw/zinc/06/51/72/660065172.db2.gz WVJSMXWPFZFJSK-CQSZACIVSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911230851 660066288 /nfs/dbraw/zinc/06/62/88/660066288.db2.gz IWJSBWORBLTJJR-GHMZBOCLSA-N 2 1 354.373 -0.581 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911232575 660066434 /nfs/dbraw/zinc/06/64/34/660066434.db2.gz XKAWJPANRHLIHJ-NEPJUHHUSA-N 2 1 368.400 -0.191 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911232576 660066448 /nfs/dbraw/zinc/06/64/48/660066448.db2.gz XKAWJPANRHLIHJ-NWDGAFQWSA-N 2 1 368.400 -0.191 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911232577 660066475 /nfs/dbraw/zinc/06/64/75/660066475.db2.gz XKAWJPANRHLIHJ-RYUDHWBXSA-N 2 1 368.400 -0.191 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911232578 660066398 /nfs/dbraw/zinc/06/63/98/660066398.db2.gz XKAWJPANRHLIHJ-VXGBXAGGSA-N 2 1 368.400 -0.191 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000911237003 660065533 /nfs/dbraw/zinc/06/55/33/660065533.db2.gz CNSOONWRRVVPKA-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000911237005 660065643 /nfs/dbraw/zinc/06/56/43/660065643.db2.gz CNSOONWRRVVPKA-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000911237007 660065607 /nfs/dbraw/zinc/06/56/07/660065607.db2.gz CNSOONWRRVVPKA-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000911237014 660065614 /nfs/dbraw/zinc/06/56/14/660065614.db2.gz CNSOONWRRVVPKA-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000911238762 660065832 /nfs/dbraw/zinc/06/58/32/660065832.db2.gz VZOCYSVWPCXOSE-INIZCTEOSA-N 2 1 351.495 -0.341 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000911238763 660065805 /nfs/dbraw/zinc/06/58/05/660065805.db2.gz VZOCYSVWPCXOSE-MRXNPFEDSA-N 2 1 351.495 -0.341 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911239936 660065843 /nfs/dbraw/zinc/06/58/43/660065843.db2.gz GZCQFUJEHOSVOF-QJPTWQEYSA-N 2 1 366.384 -0.439 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911239937 660065799 /nfs/dbraw/zinc/06/57/99/660065799.db2.gz GZCQFUJEHOSVOF-SDDRHHMPSA-N 2 1 366.384 -0.439 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000911239938 660065897 /nfs/dbraw/zinc/06/58/97/660065897.db2.gz GZCQFUJEHOSVOF-SRVKXCTJSA-N 2 1 366.384 -0.439 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000911239939 660065819 /nfs/dbraw/zinc/06/58/19/660065819.db2.gz GZCQFUJEHOSVOF-TUAOUCFPSA-N 2 1 366.384 -0.439 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911241301 660065850 /nfs/dbraw/zinc/06/58/50/660065850.db2.gz LYULMPGKPUJIOF-GMTAPVOTSA-N 2 1 352.357 -0.829 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911241303 660065816 /nfs/dbraw/zinc/06/58/16/660065816.db2.gz LYULMPGKPUJIOF-HBNTYKKESA-N 2 1 352.357 -0.829 20 0 FBADMP O=C(NC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911244318 660066080 /nfs/dbraw/zinc/06/60/80/660066080.db2.gz LSKXEELLAMTLJV-OWCLPIDISA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911244318 660066079 /nfs/dbraw/zinc/06/60/79/660066079.db2.gz LSKXEELLAMTLJV-OWCLPIDISA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911244319 660066036 /nfs/dbraw/zinc/06/60/36/660066036.db2.gz LSKXEELLAMTLJV-XHSDSOJGSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911244319 660066035 /nfs/dbraw/zinc/06/60/35/660066035.db2.gz LSKXEELLAMTLJV-XHSDSOJGSA-N 2 1 350.463 -0.291 20 0 FBADMP [NH3+][C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000911248224 660066029 /nfs/dbraw/zinc/06/60/29/660066029.db2.gz VEFGMMVRGWWOJP-NEPJUHHUSA-N 2 1 366.384 -0.437 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000911248227 660066048 /nfs/dbraw/zinc/06/60/48/660066048.db2.gz VEFGMMVRGWWOJP-NWDGAFQWSA-N 2 1 366.384 -0.437 20 0 FBADMP [NH3+][C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000911248229 660066026 /nfs/dbraw/zinc/06/60/26/660066026.db2.gz VEFGMMVRGWWOJP-RYUDHWBXSA-N 2 1 366.384 -0.437 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000911248231 660066058 /nfs/dbraw/zinc/06/60/58/660066058.db2.gz VEFGMMVRGWWOJP-VXGBXAGGSA-N 2 1 366.384 -0.437 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000911248703 660066040 /nfs/dbraw/zinc/06/60/40/660066040.db2.gz ZXLVCRSFUUGGFU-GHMZBOCLSA-N 2 1 352.357 -0.827 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256875 660067700 /nfs/dbraw/zinc/06/77/00/660067700.db2.gz CILJIWGBUOQXQS-HNNXBMFYSA-N 2 1 353.511 -0.238 20 0 FBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256877 660067668 /nfs/dbraw/zinc/06/76/68/660067668.db2.gz CILJIWGBUOQXQS-OAHLLOKOSA-N 2 1 353.511 -0.238 20 0 FBADMP CCOCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911260094 660067688 /nfs/dbraw/zinc/06/76/88/660067688.db2.gz SQSIPGCARUZIFB-IYBDPMFKSA-N 2 1 352.479 -0.044 20 0 FBADMP CCOCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911260094 660067683 /nfs/dbraw/zinc/06/76/83/660067683.db2.gz SQSIPGCARUZIFB-IYBDPMFKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])CN1CC[NH+](C)CC1 ZINC000911269020 660066481 /nfs/dbraw/zinc/06/64/81/660066481.db2.gz HAFOHOZZHWIUPM-IIDMSEBBSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])CN1CC[NH+](C)CC1 ZINC000911269021 660066442 /nfs/dbraw/zinc/06/64/42/660066442.db2.gz HAFOHOZZHWIUPM-RKVPGOIHSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])CN1CC[NH+](C)CC1 ZINC000911269022 660066427 /nfs/dbraw/zinc/06/64/27/660066427.db2.gz HAFOHOZZHWIUPM-RVKKMQEKSA-N 2 1 351.495 -0.674 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])CN1CC[NH+](C)CC1 ZINC000911269023 660066455 /nfs/dbraw/zinc/06/64/55/660066455.db2.gz HAFOHOZZHWIUPM-VKJFTORMSA-N 2 1 351.495 -0.674 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269362 660066463 /nfs/dbraw/zinc/06/64/63/660066463.db2.gz JYCOKHDXZOMCPV-CABCVRRESA-N 2 1 353.511 -0.428 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269363 660066418 /nfs/dbraw/zinc/06/64/18/660066418.db2.gz JYCOKHDXZOMCPV-GJZGRUSLSA-N 2 1 353.511 -0.428 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269364 660066425 /nfs/dbraw/zinc/06/64/25/660066425.db2.gz JYCOKHDXZOMCPV-HUUCEWRRSA-N 2 1 353.511 -0.428 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269365 660066682 /nfs/dbraw/zinc/06/66/82/660066682.db2.gz JYCOKHDXZOMCPV-LSDHHAIUSA-N 2 1 353.511 -0.428 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000911269386 660066656 /nfs/dbraw/zinc/06/66/56/660066656.db2.gz KICIMAMJHRZYIF-CVEARBPZSA-N 2 1 353.511 -0.413 20 0 FBADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000911269387 660066826 /nfs/dbraw/zinc/06/68/26/660066826.db2.gz KICIMAMJHRZYIF-HOTGVXAUSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000911269390 660066702 /nfs/dbraw/zinc/06/67/02/660066702.db2.gz KJHHEDSXCQHVLN-CVEARBPZSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000911269391 660066625 /nfs/dbraw/zinc/06/66/25/660066625.db2.gz KJHHEDSXCQHVLN-HOTGVXAUSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000911269392 660066676 /nfs/dbraw/zinc/06/66/76/660066676.db2.gz KJHHEDSXCQHVLN-HZPDHXFCSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000911269393 660066758 /nfs/dbraw/zinc/06/67/58/660066758.db2.gz KJHHEDSXCQHVLN-JKSUJKDBSA-N 2 1 353.511 -0.366 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000911269531 660066613 /nfs/dbraw/zinc/06/66/13/660066613.db2.gz LFOZETPSDZJJGR-ARFHVFGLSA-N 2 1 353.511 -0.652 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000911269534 660066766 /nfs/dbraw/zinc/06/67/66/660066766.db2.gz LFOZETPSDZJJGR-BZUAXINKSA-N 2 1 353.511 -0.652 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269539 660066790 /nfs/dbraw/zinc/06/67/90/660066790.db2.gz LJGJFVBEPVQATC-OAGGEKHMSA-N 2 1 353.511 -0.380 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269541 660066618 /nfs/dbraw/zinc/06/66/18/660066618.db2.gz LJGJFVBEPVQATC-XHSDSOJGSA-N 2 1 353.511 -0.380 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCCCC1 ZINC000911269583 660066589 /nfs/dbraw/zinc/06/65/89/660066589.db2.gz MNPOIFCWTUGHDA-CABCVRRESA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCCCC1 ZINC000911269584 660066635 /nfs/dbraw/zinc/06/66/35/660066635.db2.gz MNPOIFCWTUGHDA-GJZGRUSLSA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCCCC1 ZINC000911269585 660066688 /nfs/dbraw/zinc/06/66/88/660066688.db2.gz MNPOIFCWTUGHDA-HUUCEWRRSA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCCCC1 ZINC000911269586 660066749 /nfs/dbraw/zinc/06/67/49/660066749.db2.gz MNPOIFCWTUGHDA-LSDHHAIUSA-N 2 1 352.479 -0.178 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000911269682 660066811 /nfs/dbraw/zinc/06/68/11/660066811.db2.gz NUHHFWCMCUDCAO-HRCADAONSA-N 2 1 351.495 -0.946 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000911269683 660066650 /nfs/dbraw/zinc/06/66/50/660066650.db2.gz NUHHFWCMCUDCAO-OWCLPIDISA-N 2 1 351.495 -0.946 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269724 660066819 /nfs/dbraw/zinc/06/68/19/660066819.db2.gz OPWLRVIWVMDVQE-OAGGEKHMSA-N 2 1 353.511 -0.652 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269725 660066660 /nfs/dbraw/zinc/06/66/60/660066660.db2.gz OPWLRVIWVMDVQE-XHSDSOJGSA-N 2 1 353.511 -0.652 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269924 660066605 /nfs/dbraw/zinc/06/66/05/660066605.db2.gz QROQFFUFLQWTMA-CVEARBPZSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269925 660066713 /nfs/dbraw/zinc/06/67/13/660066713.db2.gz QROQFFUFLQWTMA-HOTGVXAUSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269926 660066776 /nfs/dbraw/zinc/06/67/76/660066776.db2.gz QROQFFUFLQWTMA-HZPDHXFCSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269927 660066667 /nfs/dbraw/zinc/06/66/67/660066667.db2.gz QROQFFUFLQWTMA-JKSUJKDBSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911270099 660066639 /nfs/dbraw/zinc/06/66/39/660066639.db2.gz SRIJWXIFXTYLOS-ARFHVFGLSA-N 2 1 353.511 -0.571 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270105 660066740 /nfs/dbraw/zinc/06/67/40/660066740.db2.gz STVNXFGWWRBPHM-CABCVRRESA-N 2 1 353.511 -0.510 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270106 660066696 /nfs/dbraw/zinc/06/66/96/660066696.db2.gz STVNXFGWWRBPHM-GJZGRUSLSA-N 2 1 353.511 -0.510 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270107 660066643 /nfs/dbraw/zinc/06/66/43/660066643.db2.gz STVNXFGWWRBPHM-HUUCEWRRSA-N 2 1 353.511 -0.510 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270108 660066799 /nfs/dbraw/zinc/06/67/99/660066799.db2.gz STVNXFGWWRBPHM-LSDHHAIUSA-N 2 1 353.511 -0.510 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270290 660066883 /nfs/dbraw/zinc/06/68/83/660066883.db2.gz VIEZCLRFAIFRKE-CAOSSQGBSA-N 2 1 351.495 -0.615 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270291 660066979 /nfs/dbraw/zinc/06/69/79/660066979.db2.gz VIEZCLRFAIFRKE-LVQVYYBASA-N 2 1 351.495 -0.615 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270292 660067022 /nfs/dbraw/zinc/06/70/22/660067022.db2.gz VIEZCLRFAIFRKE-QKPAOTATSA-N 2 1 351.495 -0.615 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270293 660066917 /nfs/dbraw/zinc/06/69/17/660066917.db2.gz VIEZCLRFAIFRKE-XUWVNRHRSA-N 2 1 351.495 -0.615 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911270441 660066975 /nfs/dbraw/zinc/06/69/75/660066975.db2.gz NTSOKTJZJFBPHY-CABCVRRESA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911270441 660066973 /nfs/dbraw/zinc/06/69/73/660066973.db2.gz NTSOKTJZJFBPHY-CABCVRRESA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911270442 660067029 /nfs/dbraw/zinc/06/70/29/660067029.db2.gz NTSOKTJZJFBPHY-GJZGRUSLSA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911270442 660067027 /nfs/dbraw/zinc/06/70/27/660067027.db2.gz NTSOKTJZJFBPHY-GJZGRUSLSA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911270443 660066928 /nfs/dbraw/zinc/06/69/28/660066928.db2.gz NTSOKTJZJFBPHY-HUUCEWRRSA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911270443 660066925 /nfs/dbraw/zinc/06/69/25/660066925.db2.gz NTSOKTJZJFBPHY-HUUCEWRRSA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911270444 660066957 /nfs/dbraw/zinc/06/69/57/660066957.db2.gz NTSOKTJZJFBPHY-LSDHHAIUSA-N 2 1 369.535 -0.906 20 0 FBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911270444 660066955 /nfs/dbraw/zinc/06/69/55/660066955.db2.gz NTSOKTJZJFBPHY-LSDHHAIUSA-N 2 1 369.535 -0.906 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911270464 660067003 /nfs/dbraw/zinc/06/70/03/660067003.db2.gz XFQZHGBVJFVBIF-ARFHVFGLSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911270465 660066961 /nfs/dbraw/zinc/06/69/61/660066961.db2.gz XFQZHGBVJFVBIF-BZUAXINKSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000911270510 660066996 /nfs/dbraw/zinc/06/69/96/660066996.db2.gz YACOAHPJTFYFPH-BZUAXINKSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000911270511 660066872 /nfs/dbraw/zinc/06/68/72/660066872.db2.gz YACOAHPJTFYFPH-OAGGEKHMSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000911270512 660066911 /nfs/dbraw/zinc/06/69/11/660066911.db2.gz YACOAHPJTFYFPH-OWCLPIDISA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000911270513 660067043 /nfs/dbraw/zinc/06/70/43/660067043.db2.gz YACOAHPJTFYFPH-PMPSAXMXSA-N 2 1 353.511 -0.571 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000911270600 660066985 /nfs/dbraw/zinc/06/69/85/660066985.db2.gz ZMLSDJXJVFXVNB-CRAIPNDOSA-N 2 1 351.495 -0.659 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000911270601 660066891 /nfs/dbraw/zinc/06/68/91/660066891.db2.gz ZMLSDJXJVFXVNB-MAUKXSAKSA-N 2 1 351.495 -0.659 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000911270602 660066936 /nfs/dbraw/zinc/06/69/36/660066936.db2.gz ZMLSDJXJVFXVNB-QAPCUYQASA-N 2 1 351.495 -0.659 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000911270603 660067032 /nfs/dbraw/zinc/06/70/32/660067032.db2.gz ZMLSDJXJVFXVNB-YJBOKZPZSA-N 2 1 351.495 -0.659 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@H]1CCC[NH2+]C1 ZINC000911274856 660067216 /nfs/dbraw/zinc/06/72/16/660067216.db2.gz JRTGYOHLOOPTPT-CAOSSQGBSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@@H]1CCC[NH2+]C1 ZINC000911274857 660067286 /nfs/dbraw/zinc/06/72/86/660067286.db2.gz JRTGYOHLOOPTPT-JJXSEGSLSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@H]1CCC[NH2+]C1 ZINC000911274858 660067202 /nfs/dbraw/zinc/06/72/02/660067202.db2.gz JRTGYOHLOOPTPT-JONQDZQNSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@@H]1CCC[NH2+]C1 ZINC000911274859 660067232 /nfs/dbraw/zinc/06/72/32/660067232.db2.gz JRTGYOHLOOPTPT-ZJIFWQFVSA-N 2 1 352.479 -0.452 20 0 FBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911275825 660067393 /nfs/dbraw/zinc/06/73/93/660067393.db2.gz ZFQFGENFVWAOIO-INIZCTEOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911275825 660067392 /nfs/dbraw/zinc/06/73/92/660067392.db2.gz ZFQFGENFVWAOIO-INIZCTEOSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911275826 660067423 /nfs/dbraw/zinc/06/74/23/660067423.db2.gz ZFQFGENFVWAOIO-MRXNPFEDSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911275826 660067422 /nfs/dbraw/zinc/06/74/22/660067422.db2.gz ZFQFGENFVWAOIO-MRXNPFEDSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911292686 660067808 /nfs/dbraw/zinc/06/78/08/660067808.db2.gz APVGVKOZKVOUPJ-DGAVXFQQSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911292686 660067804 /nfs/dbraw/zinc/06/78/04/660067804.db2.gz APVGVKOZKVOUPJ-DGAVXFQQSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911292687 660067934 /nfs/dbraw/zinc/06/79/34/660067934.db2.gz APVGVKOZKVOUPJ-FQUUOJAGSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911292687 660067932 /nfs/dbraw/zinc/06/79/32/660067932.db2.gz APVGVKOZKVOUPJ-FQUUOJAGSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911292688 660067871 /nfs/dbraw/zinc/06/78/71/660067871.db2.gz APVGVKOZKVOUPJ-IGQOVBAYSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911292688 660067867 /nfs/dbraw/zinc/06/78/67/660067867.db2.gz APVGVKOZKVOUPJ-IGQOVBAYSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911292689 660067980 /nfs/dbraw/zinc/06/79/80/660067980.db2.gz APVGVKOZKVOUPJ-REWJHTLYSA-N 2 1 370.519 -0.088 20 0 FBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911292689 660067979 /nfs/dbraw/zinc/06/79/79/660067979.db2.gz APVGVKOZKVOUPJ-REWJHTLYSA-N 2 1 370.519 -0.088 20 0 FBADMP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]CC1 ZINC000911298625 660067779 /nfs/dbraw/zinc/06/77/79/660067779.db2.gz ORFFOTIOVSEKRY-CABCVRRESA-N 2 1 352.479 -0.450 20 0 FBADMP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]CC1 ZINC000911298637 660067944 /nfs/dbraw/zinc/06/79/44/660067944.db2.gz ORFFOTIOVSEKRY-GJZGRUSLSA-N 2 1 352.479 -0.450 20 0 FBADMP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]CC1 ZINC000911298638 660067914 /nfs/dbraw/zinc/06/79/14/660067914.db2.gz ORFFOTIOVSEKRY-HUUCEWRRSA-N 2 1 352.479 -0.450 20 0 FBADMP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]CC1 ZINC000911298639 660067973 /nfs/dbraw/zinc/06/79/73/660067973.db2.gz ORFFOTIOVSEKRY-LSDHHAIUSA-N 2 1 352.479 -0.450 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000911299294 660068196 /nfs/dbraw/zinc/06/81/96/660068196.db2.gz WSMMMTAHMPFEFO-ARFHVFGLSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000911299295 660068172 /nfs/dbraw/zinc/06/81/72/660068172.db2.gz WSMMMTAHMPFEFO-HRCADAONSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000911299296 660068191 /nfs/dbraw/zinc/06/81/91/660068191.db2.gz WSMMMTAHMPFEFO-JYJNAYRXSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000911299297 660068210 /nfs/dbraw/zinc/06/82/10/660068210.db2.gz WSMMMTAHMPFEFO-XHSDSOJGSA-N 2 1 352.479 -0.322 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCC[NH2+]C1 ZINC000911299721 660068187 /nfs/dbraw/zinc/06/81/87/660068187.db2.gz YHMZFVJPWCBNNI-DAYGRLMNSA-N 2 1 352.479 -0.450 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCC[NH2+]C1 ZINC000911299722 660068160 /nfs/dbraw/zinc/06/81/60/660068160.db2.gz YHMZFVJPWCBNNI-MPGHIAIKSA-N 2 1 352.479 -0.450 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCC[NH2+]C1 ZINC000911299723 660068200 /nfs/dbraw/zinc/06/82/00/660068200.db2.gz YHMZFVJPWCBNNI-RKVPGOIHSA-N 2 1 352.479 -0.450 20 0 FBADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCC[NH2+]C1 ZINC000911299724 660068203 /nfs/dbraw/zinc/06/82/03/660068203.db2.gz YHMZFVJPWCBNNI-VKJFTORMSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911312099 660069547 /nfs/dbraw/zinc/06/95/47/660069547.db2.gz UYPVYHFRMKJIJF-BFHYXJOUSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911312099 660069544 /nfs/dbraw/zinc/06/95/44/660069544.db2.gz UYPVYHFRMKJIJF-BFHYXJOUSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911312100 660069560 /nfs/dbraw/zinc/06/95/60/660069560.db2.gz UYPVYHFRMKJIJF-IHRRRGAJSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911312100 660069556 /nfs/dbraw/zinc/06/95/56/660069556.db2.gz UYPVYHFRMKJIJF-IHRRRGAJSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911312101 660069432 /nfs/dbraw/zinc/06/94/32/660069432.db2.gz UYPVYHFRMKJIJF-MELADBBJSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911312101 660069429 /nfs/dbraw/zinc/06/94/29/660069429.db2.gz UYPVYHFRMKJIJF-MELADBBJSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911312102 660069499 /nfs/dbraw/zinc/06/94/99/660069499.db2.gz UYPVYHFRMKJIJF-MJBXVCDLSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911312102 660069496 /nfs/dbraw/zinc/06/94/96/660069496.db2.gz UYPVYHFRMKJIJF-MJBXVCDLSA-N 2 1 356.492 -0.823 20 0 FBADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312324 660069422 /nfs/dbraw/zinc/06/94/22/660069422.db2.gz WMEDVKOWGMSLGK-CVEARBPZSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312327 660069486 /nfs/dbraw/zinc/06/94/86/660069486.db2.gz WMEDVKOWGMSLGK-HOTGVXAUSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312329 660069445 /nfs/dbraw/zinc/06/94/45/660069445.db2.gz WMEDVKOWGMSLGK-HZPDHXFCSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312331 660069532 /nfs/dbraw/zinc/06/95/32/660069532.db2.gz WMEDVKOWGMSLGK-JKSUJKDBSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911320680 660069614 /nfs/dbraw/zinc/06/96/14/660069614.db2.gz CLZUBIQFWDYRPT-CVEARBPZSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911320681 660069726 /nfs/dbraw/zinc/06/97/26/660069726.db2.gz CLZUBIQFWDYRPT-HOTGVXAUSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911320682 660069746 /nfs/dbraw/zinc/06/97/46/660069746.db2.gz CLZUBIQFWDYRPT-HZPDHXFCSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911320683 660069714 /nfs/dbraw/zinc/06/97/14/660069714.db2.gz CLZUBIQFWDYRPT-JKSUJKDBSA-N 2 1 352.479 -0.450 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911324416 660068493 /nfs/dbraw/zinc/06/84/93/660068493.db2.gz CEZIIFMSDLXAPR-CVEARBPZSA-N 2 1 351.495 -0.341 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911324417 660068350 /nfs/dbraw/zinc/06/83/50/660068350.db2.gz CEZIIFMSDLXAPR-HOTGVXAUSA-N 2 1 351.495 -0.341 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000911324418 660068383 /nfs/dbraw/zinc/06/83/83/660068383.db2.gz CEZIIFMSDLXAPR-HZPDHXFCSA-N 2 1 351.495 -0.341 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000911324419 660068337 /nfs/dbraw/zinc/06/83/37/660068337.db2.gz CEZIIFMSDLXAPR-JKSUJKDBSA-N 2 1 351.495 -0.341 20 0 FBADMP COC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000911324466 660068441 /nfs/dbraw/zinc/06/84/41/660068441.db2.gz DBGZEANRFOKQMN-APIJFGDWSA-N 2 1 356.467 -0.953 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911325330 660068668 /nfs/dbraw/zinc/06/86/68/660068668.db2.gz RADNVRVIMDDJCL-IYBDPMFKSA-N 2 1 353.511 -0.366 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000911325593 660068634 /nfs/dbraw/zinc/06/86/34/660068634.db2.gz VVCUAMMSZGTISV-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000911325594 660068578 /nfs/dbraw/zinc/06/85/78/660068578.db2.gz VVCUAMMSZGTISV-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000911325595 660068707 /nfs/dbraw/zinc/06/87/07/660068707.db2.gz VVCUAMMSZGTISV-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000911325596 660068737 /nfs/dbraw/zinc/06/87/37/660068737.db2.gz VVCUAMMSZGTISV-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000911326882 660068677 /nfs/dbraw/zinc/06/86/77/660068677.db2.gz AZQNOEXTSKJXMN-KBXCAEBGSA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000911326885 660069082 /nfs/dbraw/zinc/06/90/82/660069082.db2.gz AZQNOEXTSKJXMN-KDOFPFPSSA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000911326888 660069018 /nfs/dbraw/zinc/06/90/18/660069018.db2.gz AZQNOEXTSKJXMN-KSSFIOAISA-N 2 1 352.479 -0.178 20 0 FBADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000911326891 660069028 /nfs/dbraw/zinc/06/90/28/660069028.db2.gz AZQNOEXTSKJXMN-RDTXWAMCSA-N 2 1 352.479 -0.178 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911328131 660068976 /nfs/dbraw/zinc/06/89/76/660068976.db2.gz DPMIQGMBLLGPOC-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911328132 660069052 /nfs/dbraw/zinc/06/90/52/660069052.db2.gz DPMIQGMBLLGPOC-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911328134 660068935 /nfs/dbraw/zinc/06/89/35/660068935.db2.gz DPMIQGMBLLGPOC-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911328136 660068992 /nfs/dbraw/zinc/06/89/92/660068992.db2.gz DPMIQGMBLLGPOC-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911328336 660069035 /nfs/dbraw/zinc/06/90/35/660069035.db2.gz GBEXPAFXJZALAR-HNNXBMFYSA-N 2 1 351.495 -0.469 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911328339 660068872 /nfs/dbraw/zinc/06/88/72/660068872.db2.gz GBEXPAFXJZALAR-OAHLLOKOSA-N 2 1 351.495 -0.469 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336022 660068928 /nfs/dbraw/zinc/06/89/28/660068928.db2.gz CVSSCPRSIVTTFX-CABCVRRESA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336023 660069073 /nfs/dbraw/zinc/06/90/73/660069073.db2.gz CVSSCPRSIVTTFX-GJZGRUSLSA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336024 660069156 /nfs/dbraw/zinc/06/91/56/660069156.db2.gz CVSSCPRSIVTTFX-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336025 660069248 /nfs/dbraw/zinc/06/92/48/660069248.db2.gz CVSSCPRSIVTTFX-LSDHHAIUSA-N 2 1 352.479 -0.138 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336380 660069228 /nfs/dbraw/zinc/06/92/28/660069228.db2.gz HVQHLFLKFKMPJT-CABCVRRESA-N 2 1 352.479 -0.057 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336381 660069183 /nfs/dbraw/zinc/06/91/83/660069183.db2.gz HVQHLFLKFKMPJT-GJZGRUSLSA-N 2 1 352.479 -0.057 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336382 660069212 /nfs/dbraw/zinc/06/92/12/660069212.db2.gz HVQHLFLKFKMPJT-HUUCEWRRSA-N 2 1 352.479 -0.057 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336383 660069267 /nfs/dbraw/zinc/06/92/67/660069267.db2.gz HVQHLFLKFKMPJT-LSDHHAIUSA-N 2 1 352.479 -0.057 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911336771 660068890 /nfs/dbraw/zinc/06/88/90/660068890.db2.gz MZCGIOAZVZKGOU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911336771 660068887 /nfs/dbraw/zinc/06/88/87/660068887.db2.gz MZCGIOAZVZKGOU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911336771 660068885 /nfs/dbraw/zinc/06/88/85/660068885.db2.gz MZCGIOAZVZKGOU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911336772 660068948 /nfs/dbraw/zinc/06/89/48/660068948.db2.gz MZCGIOAZVZKGOU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911336772 660068946 /nfs/dbraw/zinc/06/89/46/660068946.db2.gz MZCGIOAZVZKGOU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911336772 660068943 /nfs/dbraw/zinc/06/89/43/660068943.db2.gz MZCGIOAZVZKGOU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337395 660070076 /nfs/dbraw/zinc/07/00/76/660070076.db2.gz SNQMNUKCHXERKI-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337396 660070102 /nfs/dbraw/zinc/07/01/02/660070102.db2.gz SNQMNUKCHXERKI-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000911337779 660070072 /nfs/dbraw/zinc/07/00/72/660070072.db2.gz WFUWGRHMRDMZBX-KBUPBQIOSA-N 2 1 350.463 -0.401 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000911338159 660070307 /nfs/dbraw/zinc/07/03/07/660070307.db2.gz ZAMIVQIQQDLVMH-KBUPBQIOSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911344812 660070386 /nfs/dbraw/zinc/07/03/86/660070386.db2.gz CKRFXOGDINSBOV-QLFBSQMISA-N 2 1 350.463 -0.555 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911344813 660070319 /nfs/dbraw/zinc/07/03/19/660070319.db2.gz CKRFXOGDINSBOV-RBSFLKMASA-N 2 1 350.463 -0.555 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911345018 660070353 /nfs/dbraw/zinc/07/03/53/660070353.db2.gz CKRFXOGDINSBOV-RRFJBIMHSA-N 2 1 350.463 -0.555 20 0 FBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911345020 660070343 /nfs/dbraw/zinc/07/03/43/660070343.db2.gz CKRFXOGDINSBOV-SOUVJXGZSA-N 2 1 350.463 -0.555 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCOCC1 ZINC000911345084 660070599 /nfs/dbraw/zinc/07/05/99/660070599.db2.gz DVQVALOOOMJJJJ-CHWSQXEVSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCOCC1 ZINC000911345084 660070597 /nfs/dbraw/zinc/07/05/97/660070597.db2.gz DVQVALOOOMJJJJ-CHWSQXEVSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCOCC1 ZINC000911345086 660070528 /nfs/dbraw/zinc/07/05/28/660070528.db2.gz DVQVALOOOMJJJJ-OLZOCXBDSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCOCC1 ZINC000911345086 660070525 /nfs/dbraw/zinc/07/05/25/660070525.db2.gz DVQVALOOOMJJJJ-OLZOCXBDSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCOCC1 ZINC000911345087 660070632 /nfs/dbraw/zinc/07/06/32/660070632.db2.gz DVQVALOOOMJJJJ-QWHCGFSZSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCOCC1 ZINC000911345087 660070631 /nfs/dbraw/zinc/07/06/31/660070631.db2.gz DVQVALOOOMJJJJ-QWHCGFSZSA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCOCC1 ZINC000911345088 660070515 /nfs/dbraw/zinc/07/05/15/660070515.db2.gz DVQVALOOOMJJJJ-STQMWFEESA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCOCC1 ZINC000911345088 660070512 /nfs/dbraw/zinc/07/05/12/660070512.db2.gz DVQVALOOOMJJJJ-STQMWFEESA-N 2 1 356.492 -0.694 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000911358922 660069964 /nfs/dbraw/zinc/06/99/64/660069964.db2.gz QHWPVPSATZDPOC-FPCVCCKLSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000911358923 660069843 /nfs/dbraw/zinc/06/98/43/660069843.db2.gz QHWPVPSATZDPOC-KLHDSHLOSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000911358924 660069855 /nfs/dbraw/zinc/06/98/55/660069855.db2.gz QHWPVPSATZDPOC-VGWMRTNUSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000911358925 660069958 /nfs/dbraw/zinc/06/99/58/660069958.db2.gz QHWPVPSATZDPOC-YHUYYLMFSA-N 2 1 352.479 -0.322 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911368554 660072224 /nfs/dbraw/zinc/07/22/24/660072224.db2.gz ZYIKDJQWSZILTB-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911368555 660072331 /nfs/dbraw/zinc/07/23/31/660072331.db2.gz ZYIKDJQWSZILTB-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911368555 660072330 /nfs/dbraw/zinc/07/23/30/660072330.db2.gz ZYIKDJQWSZILTB-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911368556 660072366 /nfs/dbraw/zinc/07/23/66/660072366.db2.gz ZYIKDJQWSZILTB-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911368557 660072275 /nfs/dbraw/zinc/07/22/75/660072275.db2.gz ZYIKDJQWSZILTB-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911368557 660072272 /nfs/dbraw/zinc/07/22/72/660072272.db2.gz ZYIKDJQWSZILTB-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911369808 660072588 /nfs/dbraw/zinc/07/25/88/660072588.db2.gz DHZNRYCQWJOWSB-FVQBIDKESA-N 2 1 351.495 -0.663 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911369808 660072586 /nfs/dbraw/zinc/07/25/86/660072586.db2.gz DHZNRYCQWJOWSB-FVQBIDKESA-N 2 1 351.495 -0.663 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911369809 660072536 /nfs/dbraw/zinc/07/25/36/660072536.db2.gz DHZNRYCQWJOWSB-VNQPRFMTSA-N 2 1 351.495 -0.663 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911369809 660072533 /nfs/dbraw/zinc/07/25/33/660072533.db2.gz DHZNRYCQWJOWSB-VNQPRFMTSA-N 2 1 351.495 -0.663 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000911377599 660072513 /nfs/dbraw/zinc/07/25/13/660072513.db2.gz BORBDQNDRYNGOM-OWCLPIDISA-N 2 1 351.495 -0.804 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000911377600 660072579 /nfs/dbraw/zinc/07/25/79/660072579.db2.gz BORBDQNDRYNGOM-PMPSAXMXSA-N 2 1 351.495 -0.804 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000911378767 660070968 /nfs/dbraw/zinc/07/09/68/660070968.db2.gz IMQUANIVGSAONW-ILXRZTDVSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000911378768 660071005 /nfs/dbraw/zinc/07/10/05/660071005.db2.gz IMQUANIVGSAONW-KFWWJZLASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000911382224 660071608 /nfs/dbraw/zinc/07/16/08/660071608.db2.gz HKWBLLDSCGEQGD-CABCVRRESA-N 2 1 353.511 -0.558 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000911382224 660071606 /nfs/dbraw/zinc/07/16/06/660071606.db2.gz HKWBLLDSCGEQGD-CABCVRRESA-N 2 1 353.511 -0.558 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000911382288 660071622 /nfs/dbraw/zinc/07/16/22/660071622.db2.gz JETQJZHNSPJMLZ-CABCVRRESA-N 2 1 354.495 -0.225 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383597 660071617 /nfs/dbraw/zinc/07/16/17/660071617.db2.gz CVEAFLWLGUWZSD-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383599 660071580 /nfs/dbraw/zinc/07/15/80/660071580.db2.gz CVEAFLWLGUWZSD-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383600 660071628 /nfs/dbraw/zinc/07/16/28/660071628.db2.gz CVEAFLWLGUWZSD-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383601 660071686 /nfs/dbraw/zinc/07/16/86/660071686.db2.gz CVEAFLWLGUWZSD-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000911383918 660071804 /nfs/dbraw/zinc/07/18/04/660071804.db2.gz XLDRBPGBFQQIGB-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000911383918 660071803 /nfs/dbraw/zinc/07/18/03/660071803.db2.gz XLDRBPGBFQQIGB-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000911383919 660071866 /nfs/dbraw/zinc/07/18/66/660071866.db2.gz XLDRBPGBFQQIGB-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000911383919 660071864 /nfs/dbraw/zinc/07/18/64/660071864.db2.gz XLDRBPGBFQQIGB-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC000911384438 660071824 /nfs/dbraw/zinc/07/18/24/660071824.db2.gz GNMJVAIOBQEQPH-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC000911384438 660071821 /nfs/dbraw/zinc/07/18/21/660071821.db2.gz GNMJVAIOBQEQPH-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC000911384439 660071898 /nfs/dbraw/zinc/07/18/98/660071898.db2.gz GNMJVAIOBQEQPH-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC000911384439 660071895 /nfs/dbraw/zinc/07/18/95/660071895.db2.gz GNMJVAIOBQEQPH-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385840 660071787 /nfs/dbraw/zinc/07/17/87/660071787.db2.gz LODLYCLMICZRDZ-CABCVRRESA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385841 660071877 /nfs/dbraw/zinc/07/18/77/660071877.db2.gz LODLYCLMICZRDZ-GJZGRUSLSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385842 660071901 /nfs/dbraw/zinc/07/19/01/660071901.db2.gz LODLYCLMICZRDZ-HUUCEWRRSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385843 660071832 /nfs/dbraw/zinc/07/18/32/660071832.db2.gz LODLYCLMICZRDZ-LSDHHAIUSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389007 660072117 /nfs/dbraw/zinc/07/21/17/660072117.db2.gz ZWHLZZQQNLDBPV-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389009 660072162 /nfs/dbraw/zinc/07/21/62/660072162.db2.gz ZWHLZZQQNLDBPV-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911389238 660072155 /nfs/dbraw/zinc/07/21/55/660072155.db2.gz CRMCISXKTHTZCB-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911389239 660072086 /nfs/dbraw/zinc/07/20/86/660072086.db2.gz CRMCISXKTHTZCB-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389607 660072038 /nfs/dbraw/zinc/07/20/38/660072038.db2.gz DTLNXUFNSFVDQG-AWEZNQCLSA-N 2 1 370.519 -0.574 20 0 FBADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389608 660072150 /nfs/dbraw/zinc/07/21/50/660072150.db2.gz DTLNXUFNSFVDQG-CQSZACIVSA-N 2 1 370.519 -0.574 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911389862 660072350 /nfs/dbraw/zinc/07/23/50/660072350.db2.gz UPMWZBRPSBHTBH-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911393088 660073319 /nfs/dbraw/zinc/07/33/19/660073319.db2.gz VACYXANSDRTWNN-FPCVCCKLSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911393090 660073387 /nfs/dbraw/zinc/07/33/87/660073387.db2.gz VACYXANSDRTWNN-KLHDSHLOSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911393092 660073336 /nfs/dbraw/zinc/07/33/36/660073336.db2.gz VACYXANSDRTWNN-LVQVYYBASA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911393094 660073431 /nfs/dbraw/zinc/07/34/31/660073431.db2.gz VACYXANSDRTWNN-WCVJEAGWSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911394994 660073566 /nfs/dbraw/zinc/07/35/66/660073566.db2.gz IWZICHGODJBSHD-LVQVYYBASA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911395268 660073657 /nfs/dbraw/zinc/07/36/57/660073657.db2.gz LQYYTVYNZXMFSW-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000911396069 660073558 /nfs/dbraw/zinc/07/35/58/660073558.db2.gz SMPRALAHSWJMHK-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000911396069 660073557 /nfs/dbraw/zinc/07/35/57/660073557.db2.gz SMPRALAHSWJMHK-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000911396072 660073655 /nfs/dbraw/zinc/07/36/55/660073655.db2.gz SMPRALAHSWJMHK-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000911396072 660073653 /nfs/dbraw/zinc/07/36/53/660073653.db2.gz SMPRALAHSWJMHK-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000911399946 660073631 /nfs/dbraw/zinc/07/36/31/660073631.db2.gz GHYVAVJTZGUHQR-HUUCEWRRSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000911400657 660073648 /nfs/dbraw/zinc/07/36/48/660073648.db2.gz MQVKCHOLAAJWQQ-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000911400657 660073646 /nfs/dbraw/zinc/07/36/46/660073646.db2.gz MQVKCHOLAAJWQQ-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000911400658 660073517 /nfs/dbraw/zinc/07/35/17/660073517.db2.gz MQVKCHOLAAJWQQ-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000911400658 660073514 /nfs/dbraw/zinc/07/35/14/660073514.db2.gz MQVKCHOLAAJWQQ-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911402763 660073947 /nfs/dbraw/zinc/07/39/47/660073947.db2.gz YACOTPDKGSDNMO-BZUAXINKSA-N 2 1 352.479 -0.471 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911402764 660073958 /nfs/dbraw/zinc/07/39/58/660073958.db2.gz YACOTPDKGSDNMO-OWCLPIDISA-N 2 1 352.479 -0.471 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911410847 660074215 /nfs/dbraw/zinc/07/42/15/660074215.db2.gz BFTLOVQDLOIQRG-GDBMZVCRSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911410848 660074268 /nfs/dbraw/zinc/07/42/68/660074268.db2.gz BFTLOVQDLOIQRG-GOEBONIOSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911410849 660074129 /nfs/dbraw/zinc/07/41/29/660074129.db2.gz BFTLOVQDLOIQRG-HOCLYGCPSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911410850 660074150 /nfs/dbraw/zinc/07/41/50/660074150.db2.gz BFTLOVQDLOIQRG-ZBFHGGJFSA-N 2 1 351.495 -0.532 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000911410870 660074283 /nfs/dbraw/zinc/07/42/83/660074283.db2.gz CEOOPCADNRZOGO-GDBMZVCRSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000911410871 660074144 /nfs/dbraw/zinc/07/41/44/660074144.db2.gz CEOOPCADNRZOGO-GOEBONIOSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000911410872 660074181 /nfs/dbraw/zinc/07/41/81/660074181.db2.gz CEOOPCADNRZOGO-HOCLYGCPSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000911410873 660074320 /nfs/dbraw/zinc/07/43/20/660074320.db2.gz CEOOPCADNRZOGO-ZBFHGGJFSA-N 2 1 353.511 -0.286 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000911410937 660074230 /nfs/dbraw/zinc/07/42/30/660074230.db2.gz HSRRKLXSWCXCMW-CABCVRRESA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000911410937 660074228 /nfs/dbraw/zinc/07/42/28/660074228.db2.gz HSRRKLXSWCXCMW-CABCVRRESA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000911410938 660074263 /nfs/dbraw/zinc/07/42/63/660074263.db2.gz HSRRKLXSWCXCMW-GJZGRUSLSA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000911410938 660074259 /nfs/dbraw/zinc/07/42/59/660074259.db2.gz HSRRKLXSWCXCMW-GJZGRUSLSA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000911410939 660074137 /nfs/dbraw/zinc/07/41/37/660074137.db2.gz HSRRKLXSWCXCMW-HUUCEWRRSA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000911410939 660074135 /nfs/dbraw/zinc/07/41/35/660074135.db2.gz HSRRKLXSWCXCMW-HUUCEWRRSA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000911410940 660074226 /nfs/dbraw/zinc/07/42/26/660074226.db2.gz HSRRKLXSWCXCMW-LSDHHAIUSA-N 2 1 369.535 -0.778 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000911410940 660074223 /nfs/dbraw/zinc/07/42/23/660074223.db2.gz HSRRKLXSWCXCMW-LSDHHAIUSA-N 2 1 369.535 -0.778 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411075 660074122 /nfs/dbraw/zinc/07/41/22/660074122.db2.gz FNABOAJPXHFUPU-HNNXBMFYSA-N 2 1 353.511 -0.380 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411076 660074176 /nfs/dbraw/zinc/07/41/76/660074176.db2.gz FNABOAJPXHFUPU-OAHLLOKOSA-N 2 1 353.511 -0.380 20 0 FBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411165 660074193 /nfs/dbraw/zinc/07/41/93/660074193.db2.gz KUCCBRMIRKEGFG-INIZCTEOSA-N 2 1 353.511 -0.142 20 0 FBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411166 660074160 /nfs/dbraw/zinc/07/41/60/660074160.db2.gz KUCCBRMIRKEGFG-MRXNPFEDSA-N 2 1 353.511 -0.142 20 0 FBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411258 660074303 /nfs/dbraw/zinc/07/43/03/660074303.db2.gz IJZONZRBBHIHMX-UHFFFAOYSA-N 2 1 350.467 -0.421 20 0 FBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411901 660074438 /nfs/dbraw/zinc/07/44/38/660074438.db2.gz VLUXUCQYZIUOIS-INIZCTEOSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411901 660074436 /nfs/dbraw/zinc/07/44/36/660074436.db2.gz VLUXUCQYZIUOIS-INIZCTEOSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411902 660074503 /nfs/dbraw/zinc/07/45/03/660074503.db2.gz VLUXUCQYZIUOIS-MRXNPFEDSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411902 660074501 /nfs/dbraw/zinc/07/45/01/660074501.db2.gz VLUXUCQYZIUOIS-MRXNPFEDSA-N 2 1 353.511 -0.286 20 0 FBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911412325 660074407 /nfs/dbraw/zinc/07/44/07/660074407.db2.gz LTTLKVNGQCODGL-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911412327 660074460 /nfs/dbraw/zinc/07/44/60/660074460.db2.gz LTTLKVNGQCODGL-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412623 660074346 /nfs/dbraw/zinc/07/43/46/660074346.db2.gz ONSCXIBZPPOAHA-CVEARBPZSA-N 2 1 351.495 -0.389 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911412736 660074451 /nfs/dbraw/zinc/07/44/51/660074451.db2.gz BTJWZPFIYIXVED-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911412736 660074448 /nfs/dbraw/zinc/07/44/48/660074448.db2.gz BTJWZPFIYIXVED-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911412737 660074373 /nfs/dbraw/zinc/07/43/73/660074373.db2.gz BTJWZPFIYIXVED-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911412737 660074370 /nfs/dbraw/zinc/07/43/70/660074370.db2.gz BTJWZPFIYIXVED-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911412738 660074530 /nfs/dbraw/zinc/07/45/30/660074530.db2.gz BTJWZPFIYIXVED-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911412738 660074529 /nfs/dbraw/zinc/07/45/29/660074529.db2.gz BTJWZPFIYIXVED-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911412739 660074383 /nfs/dbraw/zinc/07/43/83/660074383.db2.gz BTJWZPFIYIXVED-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911412739 660074380 /nfs/dbraw/zinc/07/43/80/660074380.db2.gz BTJWZPFIYIXVED-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@H+]3CCSC[C@@H]13)C2 ZINC000911413144 660074517 /nfs/dbraw/zinc/07/45/17/660074517.db2.gz FBHZBKLEVBJMNY-AYMQEEERSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@@H+]3CCSC[C@@H]13)C2 ZINC000911413144 660074516 /nfs/dbraw/zinc/07/45/16/660074516.db2.gz FBHZBKLEVBJMNY-AYMQEEERSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@H+]3CCSC[C@@H]13)C2 ZINC000911413145 660074414 /nfs/dbraw/zinc/07/44/14/660074414.db2.gz FBHZBKLEVBJMNY-QDEZUTFSSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+]3CCSC[C@@H]13)C2 ZINC000911413145 660074411 /nfs/dbraw/zinc/07/44/11/660074411.db2.gz FBHZBKLEVBJMNY-QDEZUTFSSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@H+]3CCSC[C@H]13)C2 ZINC000911413146 660074359 /nfs/dbraw/zinc/07/43/59/660074359.db2.gz FBHZBKLEVBJMNY-SZOQZIPDSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@@H+]3CCSC[C@H]13)C2 ZINC000911413146 660074356 /nfs/dbraw/zinc/07/43/56/660074356.db2.gz FBHZBKLEVBJMNY-SZOQZIPDSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@H+]3CCSC[C@H]13)C2 ZINC000911413147 660074473 /nfs/dbraw/zinc/07/44/73/660074473.db2.gz FBHZBKLEVBJMNY-ZOMKSWQUSA-N 2 1 352.504 -0.250 20 0 FBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+]3CCSC[C@H]13)C2 ZINC000911413147 660074470 /nfs/dbraw/zinc/07/44/70/660074470.db2.gz FBHZBKLEVBJMNY-ZOMKSWQUSA-N 2 1 352.504 -0.250 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C[C@H]1C[NH3+] ZINC000911413473 660074513 /nfs/dbraw/zinc/07/45/13/660074513.db2.gz HNFAOBULHOAXSJ-APIJFGDWSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C[C@H]1C[NH3+] ZINC000911413473 660074510 /nfs/dbraw/zinc/07/45/10/660074510.db2.gz HNFAOBULHOAXSJ-APIJFGDWSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C[C@H]1C[NH3+] ZINC000911413474 660074524 /nfs/dbraw/zinc/07/45/24/660074524.db2.gz HNFAOBULHOAXSJ-CBBWQLFWSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C[C@H]1C[NH3+] ZINC000911413474 660074521 /nfs/dbraw/zinc/07/45/21/660074521.db2.gz HNFAOBULHOAXSJ-CBBWQLFWSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C[C@H]1C[NH3+] ZINC000911413476 660074828 /nfs/dbraw/zinc/07/48/28/660074828.db2.gz HNFAOBULHOAXSJ-KBUPBQIOSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@H]1C[NH3+] ZINC000911413476 660074827 /nfs/dbraw/zinc/07/48/27/660074827.db2.gz HNFAOBULHOAXSJ-KBUPBQIOSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C[C@H]1C[NH3+] ZINC000911413477 660074714 /nfs/dbraw/zinc/07/47/14/660074714.db2.gz HNFAOBULHOAXSJ-LXTVHRRPSA-N 2 1 370.519 -0.495 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@H]1C[NH3+] ZINC000911413477 660074712 /nfs/dbraw/zinc/07/47/12/660074712.db2.gz HNFAOBULHOAXSJ-LXTVHRRPSA-N 2 1 370.519 -0.495 20 0 FBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911413528 660074668 /nfs/dbraw/zinc/07/46/68/660074668.db2.gz UKXASISSFURPQW-UHFFFAOYSA-N 2 1 353.511 -0.142 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000911413763 660074692 /nfs/dbraw/zinc/07/46/92/660074692.db2.gz IXDKEDKOHOVZLK-CABCVRRESA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000911413765 660074795 /nfs/dbraw/zinc/07/47/95/660074795.db2.gz IXDKEDKOHOVZLK-GJZGRUSLSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000911413766 660074823 /nfs/dbraw/zinc/07/48/23/660074823.db2.gz IXDKEDKOHOVZLK-HUUCEWRRSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000911413768 660074787 /nfs/dbraw/zinc/07/47/87/660074787.db2.gz IXDKEDKOHOVZLK-LSDHHAIUSA-N 2 1 353.511 -0.238 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000911413932 660074821 /nfs/dbraw/zinc/07/48/21/660074821.db2.gz WSWSWBFIXDPBPC-GDBMZVCRSA-N 2 1 353.511 -0.143 20 0 FBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000911413933 660074741 /nfs/dbraw/zinc/07/47/41/660074741.db2.gz WSWSWBFIXDPBPC-GOEBONIOSA-N 2 1 353.511 -0.143 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000911413934 660074751 /nfs/dbraw/zinc/07/47/51/660074751.db2.gz WSWSWBFIXDPBPC-HOCLYGCPSA-N 2 1 353.511 -0.143 20 0 FBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000911413935 660074818 /nfs/dbraw/zinc/07/48/18/660074818.db2.gz WSWSWBFIXDPBPC-ZBFHGGJFSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911414513 660072858 /nfs/dbraw/zinc/07/28/58/660072858.db2.gz OAUSGIWXMGRTGD-KBPBESRZSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911414513 660072855 /nfs/dbraw/zinc/07/28/55/660072855.db2.gz OAUSGIWXMGRTGD-KBPBESRZSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911414514 660072844 /nfs/dbraw/zinc/07/28/44/660072844.db2.gz OAUSGIWXMGRTGD-KGLIPLIRSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911414514 660072841 /nfs/dbraw/zinc/07/28/41/660072841.db2.gz OAUSGIWXMGRTGD-KGLIPLIRSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911414515 660072753 /nfs/dbraw/zinc/07/27/53/660072753.db2.gz OAUSGIWXMGRTGD-UONOGXRCSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911414515 660072751 /nfs/dbraw/zinc/07/27/51/660072751.db2.gz OAUSGIWXMGRTGD-UONOGXRCSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911414516 660072817 /nfs/dbraw/zinc/07/28/17/660072817.db2.gz OAUSGIWXMGRTGD-ZIAGYGMSSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911414516 660072814 /nfs/dbraw/zinc/07/28/14/660072814.db2.gz OAUSGIWXMGRTGD-ZIAGYGMSSA-N 2 1 370.519 -0.351 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415239 660072867 /nfs/dbraw/zinc/07/28/67/660072867.db2.gz UFHOPJHWGVCIGT-GBJTYRQASA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415239 660072863 /nfs/dbraw/zinc/07/28/63/660072863.db2.gz UFHOPJHWGVCIGT-GBJTYRQASA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415240 660072904 /nfs/dbraw/zinc/07/29/04/660072904.db2.gz UFHOPJHWGVCIGT-LJISPDSOSA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415240 660072902 /nfs/dbraw/zinc/07/29/02/660072902.db2.gz UFHOPJHWGVCIGT-LJISPDSOSA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415241 660072797 /nfs/dbraw/zinc/07/27/97/660072797.db2.gz UFHOPJHWGVCIGT-XGUBFFRZSA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415241 660072796 /nfs/dbraw/zinc/07/27/96/660072796.db2.gz UFHOPJHWGVCIGT-XGUBFFRZSA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415242 660072741 /nfs/dbraw/zinc/07/27/41/660072741.db2.gz UFHOPJHWGVCIGT-YJNKXOJESA-N 2 1 352.504 -0.250 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911415242 660072738 /nfs/dbraw/zinc/07/27/38/660072738.db2.gz UFHOPJHWGVCIGT-YJNKXOJESA-N 2 1 352.504 -0.250 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415262 660072825 /nfs/dbraw/zinc/07/28/25/660072825.db2.gz UQWONMWXYPEGJG-GDBMZVCRSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415263 660072761 /nfs/dbraw/zinc/07/27/61/660072761.db2.gz UQWONMWXYPEGJG-GOEBONIOSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415264 660072694 /nfs/dbraw/zinc/07/26/94/660072694.db2.gz UQWONMWXYPEGJG-HOCLYGCPSA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415265 660072889 /nfs/dbraw/zinc/07/28/89/660072889.db2.gz UQWONMWXYPEGJG-ZBFHGGJFSA-N 2 1 351.495 -0.532 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCO1 ZINC000911418272 660073057 /nfs/dbraw/zinc/07/30/57/660073057.db2.gz FMLDIVYOYDWIMY-CRWXNKLISA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCO1 ZINC000911418272 660073056 /nfs/dbraw/zinc/07/30/56/660073056.db2.gz FMLDIVYOYDWIMY-CRWXNKLISA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCO1 ZINC000911418273 660073115 /nfs/dbraw/zinc/07/31/15/660073115.db2.gz FMLDIVYOYDWIMY-DGAVXFQQSA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCO1 ZINC000911418273 660073112 /nfs/dbraw/zinc/07/31/12/660073112.db2.gz FMLDIVYOYDWIMY-DGAVXFQQSA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCO1 ZINC000911418274 660073157 /nfs/dbraw/zinc/07/31/57/660073157.db2.gz FMLDIVYOYDWIMY-FQUUOJAGSA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCO1 ZINC000911418274 660073155 /nfs/dbraw/zinc/07/31/55/660073155.db2.gz FMLDIVYOYDWIMY-FQUUOJAGSA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCO1 ZINC000911418275 660073016 /nfs/dbraw/zinc/07/30/16/660073016.db2.gz FMLDIVYOYDWIMY-XUXIUFHCSA-N 2 1 356.492 -0.743 20 0 FBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCO1 ZINC000911418275 660073015 /nfs/dbraw/zinc/07/30/15/660073015.db2.gz FMLDIVYOYDWIMY-XUXIUFHCSA-N 2 1 356.492 -0.743 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCCO1 ZINC000911418651 660073044 /nfs/dbraw/zinc/07/30/44/660073044.db2.gz IVNBGUDIDXZUQT-HZSPNIEDSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCCO1 ZINC000911418651 660073042 /nfs/dbraw/zinc/07/30/42/660073042.db2.gz IVNBGUDIDXZUQT-HZSPNIEDSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCCO1 ZINC000911418652 660072998 /nfs/dbraw/zinc/07/29/98/660072998.db2.gz IVNBGUDIDXZUQT-MCIONIFRSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCCO1 ZINC000911418652 660072997 /nfs/dbraw/zinc/07/29/97/660072997.db2.gz IVNBGUDIDXZUQT-MCIONIFRSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCCO1 ZINC000911418653 660073088 /nfs/dbraw/zinc/07/30/88/660073088.db2.gz IVNBGUDIDXZUQT-MGPQQGTHSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCCO1 ZINC000911418653 660073086 /nfs/dbraw/zinc/07/30/86/660073086.db2.gz IVNBGUDIDXZUQT-MGPQQGTHSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCCO1 ZINC000911418654 660073098 /nfs/dbraw/zinc/07/30/98/660073098.db2.gz IVNBGUDIDXZUQT-RDBSUJKOSA-N 2 1 356.492 -0.741 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCCO1 ZINC000911418654 660073095 /nfs/dbraw/zinc/07/30/95/660073095.db2.gz IVNBGUDIDXZUQT-RDBSUJKOSA-N 2 1 356.492 -0.741 20 0 FBADMP C[C@H]1COC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911420874 660073583 /nfs/dbraw/zinc/07/35/83/660073583.db2.gz KBVXQPGXVKRAPQ-ARLBYUKCSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@H]1COC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911420874 660073582 /nfs/dbraw/zinc/07/35/82/660073582.db2.gz KBVXQPGXVKRAPQ-ARLBYUKCSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1COC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911420878 660073691 /nfs/dbraw/zinc/07/36/91/660073691.db2.gz KBVXQPGXVKRAPQ-DMRZNYOFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1COC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911420878 660073689 /nfs/dbraw/zinc/07/36/89/660073689.db2.gz KBVXQPGXVKRAPQ-DMRZNYOFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911420881 660073614 /nfs/dbraw/zinc/07/36/14/660073614.db2.gz KBVXQPGXVKRAPQ-HNKHHVNMSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911420881 660073611 /nfs/dbraw/zinc/07/36/11/660073611.db2.gz KBVXQPGXVKRAPQ-HNKHHVNMSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911420885 660073683 /nfs/dbraw/zinc/07/36/83/660073683.db2.gz KBVXQPGXVKRAPQ-OJLVUWQFSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911420885 660073681 /nfs/dbraw/zinc/07/36/81/660073681.db2.gz KBVXQPGXVKRAPQ-OJLVUWQFSA-N 2 1 350.463 -0.435 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911422258 660076437 /nfs/dbraw/zinc/07/64/37/660076437.db2.gz YUNYRIOOVYCADC-CKEIUWERSA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911422258 660076436 /nfs/dbraw/zinc/07/64/36/660076436.db2.gz YUNYRIOOVYCADC-CKEIUWERSA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000911422259 660076378 /nfs/dbraw/zinc/07/63/78/660076378.db2.gz YUNYRIOOVYCADC-CPUCHLNUSA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000911422259 660076376 /nfs/dbraw/zinc/07/63/76/660076376.db2.gz YUNYRIOOVYCADC-CPUCHLNUSA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911422260 660076432 /nfs/dbraw/zinc/07/64/32/660076432.db2.gz YUNYRIOOVYCADC-JKIFEVAISA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911422260 660076430 /nfs/dbraw/zinc/07/64/30/660076430.db2.gz YUNYRIOOVYCADC-JKIFEVAISA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000911422261 660076370 /nfs/dbraw/zinc/07/63/70/660076370.db2.gz YUNYRIOOVYCADC-KEYYUXOJSA-N 2 1 352.504 -0.106 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000911422261 660076367 /nfs/dbraw/zinc/07/63/67/660076367.db2.gz YUNYRIOOVYCADC-KEYYUXOJSA-N 2 1 352.504 -0.106 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911435976 660075191 /nfs/dbraw/zinc/07/51/91/660075191.db2.gz JFDWIPGPUFMGLU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911435976 660075190 /nfs/dbraw/zinc/07/51/90/660075190.db2.gz JFDWIPGPUFMGLU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911435976 660075189 /nfs/dbraw/zinc/07/51/89/660075189.db2.gz JFDWIPGPUFMGLU-INIZCTEOSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911435978 660075197 /nfs/dbraw/zinc/07/51/97/660075197.db2.gz JFDWIPGPUFMGLU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911435978 660075196 /nfs/dbraw/zinc/07/51/96/660075196.db2.gz JFDWIPGPUFMGLU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911435978 660075195 /nfs/dbraw/zinc/07/51/95/660075195.db2.gz JFDWIPGPUFMGLU-MRXNPFEDSA-N 2 1 353.511 -0.221 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911436312 660075564 /nfs/dbraw/zinc/07/55/64/660075564.db2.gz MXEAOZIQKXWVOF-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911436312 660075561 /nfs/dbraw/zinc/07/55/61/660075561.db2.gz MXEAOZIQKXWVOF-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911436313 660075451 /nfs/dbraw/zinc/07/54/51/660075451.db2.gz MXEAOZIQKXWVOF-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911436313 660075448 /nfs/dbraw/zinc/07/54/48/660075448.db2.gz MXEAOZIQKXWVOF-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911437761 660075463 /nfs/dbraw/zinc/07/54/63/660075463.db2.gz YBQAIOKEBVRKMW-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC000911437763 660075509 /nfs/dbraw/zinc/07/55/09/660075509.db2.gz YBQAIOKEBVRKMW-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911439895 660075681 /nfs/dbraw/zinc/07/56/81/660075681.db2.gz BELRNHASPSGJGI-RDTXWAMCSA-N 2 1 352.479 -0.450 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC000911450317 660076108 /nfs/dbraw/zinc/07/61/08/660076108.db2.gz ROXHNJASTSWUTB-UHFFFAOYSA-N 2 1 353.511 -0.268 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911491000 660078048 /nfs/dbraw/zinc/07/80/48/660078048.db2.gz WKWKDLLFJJOVDO-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911491000 660078047 /nfs/dbraw/zinc/07/80/47/660078047.db2.gz WKWKDLLFJJOVDO-CABCVRRESA-N 2 1 353.511 -0.286 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000911492140 660078102 /nfs/dbraw/zinc/07/81/02/660078102.db2.gz AOWMOFPHGLDNSN-OWCLPIDISA-N 2 1 351.495 -0.532 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000911492142 660078086 /nfs/dbraw/zinc/07/80/86/660078086.db2.gz AOWMOFPHGLDNSN-PMPSAXMXSA-N 2 1 351.495 -0.532 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493743 660078044 /nfs/dbraw/zinc/07/80/44/660078044.db2.gz NNVQYYBPDULGMO-KFWWJZLASA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493744 660078064 /nfs/dbraw/zinc/07/80/64/660078064.db2.gz NNVQYYBPDULGMO-ZNMIVQPWSA-N 2 1 352.479 -0.058 20 0 FBADMP C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CC2)(N2CCCCC2)CC1 ZINC000911503181 660078131 /nfs/dbraw/zinc/07/81/31/660078131.db2.gz MMCSVPAJSOUUDH-UHFFFAOYSA-N 2 1 351.495 -0.340 20 0 FBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000911503185 660078200 /nfs/dbraw/zinc/07/82/00/660078200.db2.gz MQOOMYAXMPKSTA-UHFFFAOYSA-N 2 1 366.384 -0.293 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504238 660077982 /nfs/dbraw/zinc/07/79/82/660077982.db2.gz VWRCNIQZMBTFGF-GASCZTMLSA-N 2 1 351.495 -0.389 20 0 FBADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)c2cccs2)CC1 ZINC000911506422 660078186 /nfs/dbraw/zinc/07/81/86/660078186.db2.gz NOUXDYFRRLKOKQ-CYBMUJFWSA-N 2 1 365.503 -0.240 20 0 FBADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)c2cccs2)CC1 ZINC000911506423 660078078 /nfs/dbraw/zinc/07/80/78/660078078.db2.gz NOUXDYFRRLKOKQ-ZDUSSCGKSA-N 2 1 365.503 -0.240 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518889 660078768 /nfs/dbraw/zinc/07/87/68/660078768.db2.gz BVGQNRXFLJSOJB-CABCVRRESA-N 2 1 351.495 -0.661 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518890 660078752 /nfs/dbraw/zinc/07/87/52/660078752.db2.gz BVGQNRXFLJSOJB-GJZGRUSLSA-N 2 1 351.495 -0.661 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518891 660078681 /nfs/dbraw/zinc/07/86/81/660078681.db2.gz BVGQNRXFLJSOJB-HUUCEWRRSA-N 2 1 351.495 -0.661 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518892 660078635 /nfs/dbraw/zinc/07/86/35/660078635.db2.gz BVGQNRXFLJSOJB-LSDHHAIUSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520365 660078989 /nfs/dbraw/zinc/07/89/89/660078989.db2.gz OVQYJHIELGKGGB-ZFWWWQNUSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528539 660078473 /nfs/dbraw/zinc/07/84/73/660078473.db2.gz PPYIGPGEHNEOSQ-AWEZNQCLSA-N 2 1 354.495 -0.083 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528541 660078387 /nfs/dbraw/zinc/07/83/87/660078387.db2.gz PPYIGPGEHNEOSQ-CQSZACIVSA-N 2 1 354.495 -0.083 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911529063 660078456 /nfs/dbraw/zinc/07/84/56/660078456.db2.gz SKPBGANYVALWIS-HNNXBMFYSA-N 2 1 353.511 -0.415 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911529063 660078454 /nfs/dbraw/zinc/07/84/54/660078454.db2.gz SKPBGANYVALWIS-HNNXBMFYSA-N 2 1 353.511 -0.415 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911529066 660078424 /nfs/dbraw/zinc/07/84/24/660078424.db2.gz SKPBGANYVALWIS-OAHLLOKOSA-N 2 1 353.511 -0.415 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911529066 660078422 /nfs/dbraw/zinc/07/84/22/660078422.db2.gz SKPBGANYVALWIS-OAHLLOKOSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911535851 660079860 /nfs/dbraw/zinc/07/98/60/660079860.db2.gz JFALCMMDGHQNDC-OCVGTWLNSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911535852 660079902 /nfs/dbraw/zinc/07/99/02/660079902.db2.gz JFALCMMDGHQNDC-WMHQRMGPSA-N 2 1 350.463 -0.293 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1CCOC ZINC000911541898 660080143 /nfs/dbraw/zinc/08/01/43/660080143.db2.gz KAMUMQIONCYNNA-CAOSSQGBSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1CCOC ZINC000911541898 660080140 /nfs/dbraw/zinc/08/01/40/660080140.db2.gz KAMUMQIONCYNNA-CAOSSQGBSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1CCOC ZINC000911541899 660080057 /nfs/dbraw/zinc/08/00/57/660080057.db2.gz KAMUMQIONCYNNA-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1CCOC ZINC000911541899 660080054 /nfs/dbraw/zinc/08/00/54/660080054.db2.gz KAMUMQIONCYNNA-ZJIFWQFVSA-N 2 1 352.479 -0.045 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542962 660079023 /nfs/dbraw/zinc/07/90/23/660079023.db2.gz SBVRIPZOGYAFPU-NUEKZKHPSA-N 2 1 351.495 -0.520 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542962 660079022 /nfs/dbraw/zinc/07/90/22/660079022.db2.gz SBVRIPZOGYAFPU-NUEKZKHPSA-N 2 1 351.495 -0.520 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911543404 660078967 /nfs/dbraw/zinc/07/89/67/660078967.db2.gz VTIPEDSMPTVZMM-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911545453 660079360 /nfs/dbraw/zinc/07/93/60/660079360.db2.gz JFALCMMDGHQNDC-LQKXBSAESA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911545454 660079356 /nfs/dbraw/zinc/07/93/56/660079356.db2.gz JFALCMMDGHQNDC-LUYZLQTOSA-N 2 1 350.463 -0.293 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1CCOC ZINC000911551243 660079218 /nfs/dbraw/zinc/07/92/18/660079218.db2.gz KAMUMQIONCYNNA-FXUDXRNXSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1CCOC ZINC000911551243 660079213 /nfs/dbraw/zinc/07/92/13/660079213.db2.gz KAMUMQIONCYNNA-FXUDXRNXSA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1CCOC ZINC000911551244 660079233 /nfs/dbraw/zinc/07/92/33/660079233.db2.gz KAMUMQIONCYNNA-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1CCOC ZINC000911551244 660079231 /nfs/dbraw/zinc/07/92/31/660079231.db2.gz KAMUMQIONCYNNA-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551878 660079264 /nfs/dbraw/zinc/07/92/64/660079264.db2.gz SBVRIPZOGYAFPU-VNQPRFMTSA-N 2 1 351.495 -0.520 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551878 660079261 /nfs/dbraw/zinc/07/92/61/660079261.db2.gz SBVRIPZOGYAFPU-VNQPRFMTSA-N 2 1 351.495 -0.520 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911552249 660079520 /nfs/dbraw/zinc/07/95/20/660079520.db2.gz VTIPEDSMPTVZMM-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911554415 660079562 /nfs/dbraw/zinc/07/95/62/660079562.db2.gz APPXOYGPUNPNMZ-CVEARBPZSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911554416 660079657 /nfs/dbraw/zinc/07/96/57/660079657.db2.gz APPXOYGPUNPNMZ-HOTGVXAUSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911554418 660079548 /nfs/dbraw/zinc/07/95/48/660079548.db2.gz APPXOYGPUNPNMZ-HZPDHXFCSA-N 2 1 352.479 -0.185 20 0 FBADMP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911554420 660079557 /nfs/dbraw/zinc/07/95/57/660079557.db2.gz APPXOYGPUNPNMZ-JKSUJKDBSA-N 2 1 352.479 -0.185 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911554762 660079638 /nfs/dbraw/zinc/07/96/38/660079638.db2.gz CGQRIWSVMGDHEX-HNNXBMFYSA-N 2 1 354.495 -0.060 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911554763 660079501 /nfs/dbraw/zinc/07/95/01/660079501.db2.gz CGQRIWSVMGDHEX-OAHLLOKOSA-N 2 1 354.495 -0.060 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911555173 660079539 /nfs/dbraw/zinc/07/95/39/660079539.db2.gz FLQVDALNPURYST-INIZCTEOSA-N 2 1 353.511 -0.269 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911555174 660079569 /nfs/dbraw/zinc/07/95/69/660079569.db2.gz FLQVDALNPURYST-MRXNPFEDSA-N 2 1 353.511 -0.269 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557388 660079487 /nfs/dbraw/zinc/07/94/87/660079487.db2.gz NQWDBVFEYCQXIZ-CABCVRRESA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557388 660079484 /nfs/dbraw/zinc/07/94/84/660079484.db2.gz NQWDBVFEYCQXIZ-CABCVRRESA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557389 660079670 /nfs/dbraw/zinc/07/96/70/660079670.db2.gz NQWDBVFEYCQXIZ-GJZGRUSLSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557389 660079668 /nfs/dbraw/zinc/07/96/68/660079668.db2.gz NQWDBVFEYCQXIZ-GJZGRUSLSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557390 660079646 /nfs/dbraw/zinc/07/96/46/660079646.db2.gz NQWDBVFEYCQXIZ-HUUCEWRRSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557390 660079644 /nfs/dbraw/zinc/07/96/44/660079644.db2.gz NQWDBVFEYCQXIZ-HUUCEWRRSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557391 660079497 /nfs/dbraw/zinc/07/94/97/660079497.db2.gz NQWDBVFEYCQXIZ-LSDHHAIUSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557391 660079495 /nfs/dbraw/zinc/07/94/95/660079495.db2.gz NQWDBVFEYCQXIZ-LSDHHAIUSA-N 2 1 354.495 -0.062 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911557574 660079796 /nfs/dbraw/zinc/07/97/96/660079796.db2.gz OZCAWRJMVXUUFE-ARFHVFGLSA-N 2 1 352.479 -0.308 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911557575 660079882 /nfs/dbraw/zinc/07/98/82/660079882.db2.gz OZCAWRJMVXUUFE-HRCADAONSA-N 2 1 352.479 -0.308 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911557576 660079915 /nfs/dbraw/zinc/07/99/15/660079915.db2.gz OZCAWRJMVXUUFE-JYJNAYRXSA-N 2 1 352.479 -0.308 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911557577 660079846 /nfs/dbraw/zinc/07/98/46/660079846.db2.gz OZCAWRJMVXUUFE-XHSDSOJGSA-N 2 1 352.479 -0.308 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000911558392 660079924 /nfs/dbraw/zinc/07/99/24/660079924.db2.gz SDQOETXNCCCQLN-CABCVRRESA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000911558392 660079922 /nfs/dbraw/zinc/07/99/22/660079922.db2.gz SDQOETXNCCCQLN-CABCVRRESA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000911558393 660079833 /nfs/dbraw/zinc/07/98/33/660079833.db2.gz SDQOETXNCCCQLN-GJZGRUSLSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000911558393 660079831 /nfs/dbraw/zinc/07/98/31/660079831.db2.gz SDQOETXNCCCQLN-GJZGRUSLSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000911558394 660079853 /nfs/dbraw/zinc/07/98/53/660079853.db2.gz SDQOETXNCCCQLN-HUUCEWRRSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000911558394 660079852 /nfs/dbraw/zinc/07/98/52/660079852.db2.gz SDQOETXNCCCQLN-HUUCEWRRSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000911558395 660079912 /nfs/dbraw/zinc/07/99/12/660079912.db2.gz SDQOETXNCCCQLN-LSDHHAIUSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000911558395 660079911 /nfs/dbraw/zinc/07/99/11/660079911.db2.gz SDQOETXNCCCQLN-LSDHHAIUSA-N 2 1 354.495 -0.062 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000911562365 660079890 /nfs/dbraw/zinc/07/98/90/660079890.db2.gz AEAWEIVGRWSKMO-OXGONZEZSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000911562366 660079869 /nfs/dbraw/zinc/07/98/69/660079869.db2.gz AEAWEIVGRWSKMO-QCODTGAPSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911562367 660079819 /nfs/dbraw/zinc/07/98/19/660079819.db2.gz AEAWEIVGRWSKMO-QRJUGERDSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911562367 660079816 /nfs/dbraw/zinc/07/98/16/660079816.db2.gz AEAWEIVGRWSKMO-QRJUGERDSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911562368 660079932 /nfs/dbraw/zinc/07/99/32/660079932.db2.gz AEAWEIVGRWSKMO-YIDVYQOGSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911562368 660079930 /nfs/dbraw/zinc/07/99/30/660079930.db2.gz AEAWEIVGRWSKMO-YIDVYQOGSA-N 2 1 352.479 -0.060 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911565254 660080011 /nfs/dbraw/zinc/08/00/11/660080011.db2.gz ZSDLBAZWHXRMMA-HNNXBMFYSA-N 2 1 352.479 -0.042 20 0 FBADMP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911565255 660080184 /nfs/dbraw/zinc/08/01/84/660080184.db2.gz ZSDLBAZWHXRMMA-OAHLLOKOSA-N 2 1 352.479 -0.042 20 0 FBADMP CC(C)N1CC[NH+](CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000911874376 660082363 /nfs/dbraw/zinc/08/23/63/660082363.db2.gz ZMYNBKCXPGLASP-UHFFFAOYSA-N 2 1 353.511 -0.365 20 0 FBADMP CC(C)N1CC[NH+](CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000912460182 660086639 /nfs/dbraw/zinc/08/66/39/660086639.db2.gz CCVACHLISXYWFF-UHFFFAOYSA-N 2 1 355.527 -0.119 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912607619 660089731 /nfs/dbraw/zinc/08/97/31/660089731.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[N@H+](C)CCO)CC1=O ZINC000912607619 660089729 /nfs/dbraw/zinc/08/97/29/660089729.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607619 660089727 /nfs/dbraw/zinc/08/97/27/660089727.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912607620 660089590 /nfs/dbraw/zinc/08/95/90/660089590.db2.gz YBLUCBTYEMASQM-HOTGVXAUSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)CC1=O ZINC000912607620 660089586 /nfs/dbraw/zinc/08/95/86/660089586.db2.gz YBLUCBTYEMASQM-HOTGVXAUSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607620 660089584 /nfs/dbraw/zinc/08/95/84/660089584.db2.gz YBLUCBTYEMASQM-HOTGVXAUSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912607621 660089718 /nfs/dbraw/zinc/08/97/18/660089718.db2.gz YBLUCBTYEMASQM-HZPDHXFCSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[N@H+](C)CCO)CC1=O ZINC000912607621 660089716 /nfs/dbraw/zinc/08/97/16/660089716.db2.gz YBLUCBTYEMASQM-HZPDHXFCSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607621 660089714 /nfs/dbraw/zinc/08/97/14/660089714.db2.gz YBLUCBTYEMASQM-HZPDHXFCSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912607622 660089646 /nfs/dbraw/zinc/08/96/46/660089646.db2.gz YBLUCBTYEMASQM-JKSUJKDBSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)CC1=O ZINC000912607622 660089643 /nfs/dbraw/zinc/08/96/43/660089643.db2.gz YBLUCBTYEMASQM-JKSUJKDBSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607622 660089641 /nfs/dbraw/zinc/08/96/41/660089641.db2.gz YBLUCBTYEMASQM-JKSUJKDBSA-N 2 1 354.495 -0.298 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1=O ZINC000912744370 660090923 /nfs/dbraw/zinc/09/09/23/660090923.db2.gz VHCMGJCEKJUMQL-ARFHVFGLSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1=O ZINC000912744370 660090921 /nfs/dbraw/zinc/09/09/21/660090921.db2.gz VHCMGJCEKJUMQL-ARFHVFGLSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC1=O ZINC000912744370 660090919 /nfs/dbraw/zinc/09/09/19/660090919.db2.gz VHCMGJCEKJUMQL-ARFHVFGLSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC1=O ZINC000912744370 660090917 /nfs/dbraw/zinc/09/09/17/660090917.db2.gz VHCMGJCEKJUMQL-ARFHVFGLSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1=O ZINC000912744371 660091086 /nfs/dbraw/zinc/09/10/86/660091086.db2.gz VHCMGJCEKJUMQL-BZUAXINKSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1=O ZINC000912744371 660091085 /nfs/dbraw/zinc/09/10/85/660091085.db2.gz VHCMGJCEKJUMQL-BZUAXINKSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC1=O ZINC000912744371 660091082 /nfs/dbraw/zinc/09/10/82/660091082.db2.gz VHCMGJCEKJUMQL-BZUAXINKSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC1=O ZINC000912744371 660091079 /nfs/dbraw/zinc/09/10/79/660091079.db2.gz VHCMGJCEKJUMQL-BZUAXINKSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1=O ZINC000912744372 660091121 /nfs/dbraw/zinc/09/11/21/660091121.db2.gz VHCMGJCEKJUMQL-OAGGEKHMSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1=O ZINC000912744372 660091120 /nfs/dbraw/zinc/09/11/20/660091120.db2.gz VHCMGJCEKJUMQL-OAGGEKHMSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC1=O ZINC000912744372 660091119 /nfs/dbraw/zinc/09/11/19/660091119.db2.gz VHCMGJCEKJUMQL-OAGGEKHMSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC1=O ZINC000912744372 660091118 /nfs/dbraw/zinc/09/11/18/660091118.db2.gz VHCMGJCEKJUMQL-OAGGEKHMSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1=O ZINC000912744373 660091003 /nfs/dbraw/zinc/09/10/03/660091003.db2.gz VHCMGJCEKJUMQL-XHSDSOJGSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1=O ZINC000912744373 660091001 /nfs/dbraw/zinc/09/10/01/660091001.db2.gz VHCMGJCEKJUMQL-XHSDSOJGSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC1=O ZINC000912744373 660090997 /nfs/dbraw/zinc/09/09/97/660090997.db2.gz VHCMGJCEKJUMQL-XHSDSOJGSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC1=O ZINC000912744373 660090995 /nfs/dbraw/zinc/09/09/95/660090995.db2.gz VHCMGJCEKJUMQL-XHSDSOJGSA-N 2 1 352.479 -0.546 20 0 FBADMP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912993118 660093539 /nfs/dbraw/zinc/09/35/39/660093539.db2.gz RJSBFQHXPTWBNK-INIZCTEOSA-N 2 1 353.511 -0.142 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(NS(N)(=O)=O)C3)CC2)CC1 ZINC000913054728 660093739 /nfs/dbraw/zinc/09/37/39/660093739.db2.gz HBSOISFOAQAIFV-UHFFFAOYSA-N 2 1 373.523 -0.813 20 0 FBADMP C[NH+](CC(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)COC1)C1CCC1 ZINC000913492711 660098779 /nfs/dbraw/zinc/09/87/79/660098779.db2.gz XKVMCNJEDDZQML-UHFFFAOYSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CC(=O)NCC1(NC(=O)C[N@H+](C)C2CCC2)COC1)C1CCC1 ZINC000913492711 660098778 /nfs/dbraw/zinc/09/87/78/660098778.db2.gz XKVMCNJEDDZQML-UHFFFAOYSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](CC(=O)NC1(CNC(=O)C[N@H+](C)C2CCC2)COC1)C1CCC1 ZINC000913492711 660098776 /nfs/dbraw/zinc/09/87/76/660098776.db2.gz XKVMCNJEDDZQML-UHFFFAOYSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000913935431 660123442 /nfs/dbraw/zinc/12/34/42/660123442.db2.gz KKHJASFAGWIJKW-INIZCTEOSA-N 2 1 358.508 -0.444 20 0 FBADMP CN1CCN(C(=O)CCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000913935431 660123437 /nfs/dbraw/zinc/12/34/37/660123437.db2.gz KKHJASFAGWIJKW-INIZCTEOSA-N 2 1 358.508 -0.444 20 0 FBADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC[C@H]1O ZINC000914021568 660125029 /nfs/dbraw/zinc/12/50/29/660125029.db2.gz SORYTMFHRWREKJ-HZPDHXFCSA-N 2 1 370.475 -0.727 20 0 FBADMP NC(=O)[C@H]1CCC[NH+](CCCNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000914046139 660125223 /nfs/dbraw/zinc/12/52/23/660125223.db2.gz VDQCHMKPJAWPTO-RDJZCZTQSA-N 2 1 372.535 -0.021 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914046139 660125222 /nfs/dbraw/zinc/12/52/22/660125222.db2.gz VDQCHMKPJAWPTO-RDJZCZTQSA-N 2 1 372.535 -0.021 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914046140 660125282 /nfs/dbraw/zinc/12/52/82/660125282.db2.gz VDQCHMKPJAWPTO-WBVHZDCISA-N 2 1 372.535 -0.021 20 0 FBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066285 660146283 /nfs/dbraw/zinc/14/62/83/660146283.db2.gz HKSCPLZWWSFGGS-PBHICJAKSA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066286 660146265 /nfs/dbraw/zinc/14/62/65/660146265.db2.gz HKSCPLZWWSFGGS-RHSMWYFYSA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066287 660146288 /nfs/dbraw/zinc/14/62/88/660146288.db2.gz HKSCPLZWWSFGGS-WMLDXEAASA-N 2 1 352.479 -0.226 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066288 660146270 /nfs/dbraw/zinc/14/62/70/660146270.db2.gz HKSCPLZWWSFGGS-YOEHRIQHSA-N 2 1 352.479 -0.226 20 0 FBADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](C)C1 ZINC000916302743 660179982 /nfs/dbraw/zinc/17/99/82/660179982.db2.gz JFIHJTULKODUBI-HOCLYGCPSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC[N@@H+](C)C1 ZINC000916302743 660179980 /nfs/dbraw/zinc/17/99/80/660179980.db2.gz JFIHJTULKODUBI-HOCLYGCPSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC[N@H+](C)C1 ZINC000916302743 660179979 /nfs/dbraw/zinc/17/99/79/660179979.db2.gz JFIHJTULKODUBI-HOCLYGCPSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000916302743 660179978 /nfs/dbraw/zinc/17/99/78/660179978.db2.gz JFIHJTULKODUBI-HOCLYGCPSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](C)C1 ZINC000916302744 837129782 /nfs/dbraw/zinc/12/97/82/837129782.db2.gz JFIHJTULKODUBI-ZBFHGGJFSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC[N@@H+](C)C1 ZINC000916302744 837129774 /nfs/dbraw/zinc/12/97/74/837129774.db2.gz JFIHJTULKODUBI-ZBFHGGJFSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC[N@H+](C)C1 ZINC000916302744 837129771 /nfs/dbraw/zinc/12/97/71/837129771.db2.gz JFIHJTULKODUBI-ZBFHGGJFSA-N 2 1 359.492 -0.161 20 0 FBADMP COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000916302744 837129764 /nfs/dbraw/zinc/12/97/64/837129764.db2.gz JFIHJTULKODUBI-ZBFHGGJFSA-N 2 1 359.492 -0.161 20 0 FBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000916624899 660181373 /nfs/dbraw/zinc/18/13/73/660181373.db2.gz RIXZIDHEBOOWPH-HOCLYGCPSA-N 2 1 358.508 -0.146 20 0 FBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000916624900 837132487 /nfs/dbraw/zinc/13/24/87/837132487.db2.gz RIXZIDHEBOOWPH-ZBFHGGJFSA-N 2 1 358.508 -0.146 20 0 FBADMP CCO[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+](C)C ZINC000917815808 660193123 /nfs/dbraw/zinc/19/31/23/660193123.db2.gz CCFBWIQQFNVSIA-HNNXBMFYSA-N 2 1 357.499 -0.195 20 0 FBADMP CCO[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+](C)C ZINC000917815809 660193166 /nfs/dbraw/zinc/19/31/66/660193166.db2.gz CCFBWIQQFNVSIA-OAHLLOKOSA-N 2 1 357.499 -0.195 20 0 FBADMP C[NH+](C)[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC000918144613 660194933 /nfs/dbraw/zinc/19/49/33/660194933.db2.gz PWKCLSJDZTXXGP-PMPSAXMXSA-N 2 1 368.507 -0.119 20 0 FBADMP CN(C)[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC000918144613 660194929 /nfs/dbraw/zinc/19/49/29/660194929.db2.gz PWKCLSJDZTXXGP-PMPSAXMXSA-N 2 1 368.507 -0.119 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907230 660198409 /nfs/dbraw/zinc/19/84/09/660198409.db2.gz WPBYCNUUOQGXJH-KBPBESRZSA-N 2 1 373.523 -0.525 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907230 660198408 /nfs/dbraw/zinc/19/84/08/660198408.db2.gz WPBYCNUUOQGXJH-KBPBESRZSA-N 2 1 373.523 -0.525 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907231 660198351 /nfs/dbraw/zinc/19/83/51/660198351.db2.gz WPBYCNUUOQGXJH-KGLIPLIRSA-N 2 1 373.523 -0.525 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907231 660198350 /nfs/dbraw/zinc/19/83/50/660198350.db2.gz WPBYCNUUOQGXJH-KGLIPLIRSA-N 2 1 373.523 -0.525 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907232 660198374 /nfs/dbraw/zinc/19/83/74/660198374.db2.gz WPBYCNUUOQGXJH-UONOGXRCSA-N 2 1 373.523 -0.525 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907232 660198372 /nfs/dbraw/zinc/19/83/72/660198372.db2.gz WPBYCNUUOQGXJH-UONOGXRCSA-N 2 1 373.523 -0.525 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907233 660198445 /nfs/dbraw/zinc/19/84/45/660198445.db2.gz WPBYCNUUOQGXJH-ZIAGYGMSSA-N 2 1 373.523 -0.525 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)CC1 ZINC000918907233 660198443 /nfs/dbraw/zinc/19/84/43/660198443.db2.gz WPBYCNUUOQGXJH-ZIAGYGMSSA-N 2 1 373.523 -0.525 20 0 FBADMP Cn1nccc1[C@@H](O)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000918907609 660198437 /nfs/dbraw/zinc/19/84/37/660198437.db2.gz ZZGGMPQRQMCJNO-BBRMVZONSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918907609 660198436 /nfs/dbraw/zinc/19/84/36/660198436.db2.gz ZZGGMPQRQMCJNO-BBRMVZONSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@@H](O)CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000918907610 660198460 /nfs/dbraw/zinc/19/84/60/660198460.db2.gz ZZGGMPQRQMCJNO-CJNGLKHVSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918907610 660198458 /nfs/dbraw/zinc/19/84/58/660198458.db2.gz ZZGGMPQRQMCJNO-CJNGLKHVSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@H](O)CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000918907611 660198364 /nfs/dbraw/zinc/19/83/64/660198364.db2.gz ZZGGMPQRQMCJNO-CZUORRHYSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918907611 660198362 /nfs/dbraw/zinc/19/83/62/660198362.db2.gz ZZGGMPQRQMCJNO-CZUORRHYSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@H](O)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000918907612 660198340 /nfs/dbraw/zinc/19/83/40/660198340.db2.gz ZZGGMPQRQMCJNO-XJKSGUPXSA-N 2 1 350.467 -0.079 20 0 FBADMP Cn1nccc1[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918907612 660198339 /nfs/dbraw/zinc/19/83/39/660198339.db2.gz ZZGGMPQRQMCJNO-XJKSGUPXSA-N 2 1 350.467 -0.079 20 0 FBADMP CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000919320160 660202516 /nfs/dbraw/zinc/20/25/16/660202516.db2.gz BRDYTHBFIRRGNQ-INIZCTEOSA-N 2 1 358.508 -0.492 20 0 FBADMP CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000919320160 660202514 /nfs/dbraw/zinc/20/25/14/660202514.db2.gz BRDYTHBFIRRGNQ-INIZCTEOSA-N 2 1 358.508 -0.492 20 0 FBADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000920535847 660209575 /nfs/dbraw/zinc/20/95/75/660209575.db2.gz VJQWGNFNVDFHKQ-UHFFFAOYSA-N 2 1 354.476 -0.200 20 0 FBADMP C[N@@H+](CCNC(=O)C1CCC([NH+]2CCOCC2)CC1)CCOCCO ZINC000922127672 660454386 /nfs/dbraw/zinc/45/43/86/660454386.db2.gz APKKAYAIBQASJX-UHFFFAOYSA-N 2 1 357.495 -0.066 20 0 FBADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386503 660466764 /nfs/dbraw/zinc/46/67/64/660466764.db2.gz HTOVWVVPOYBESU-ADAWSYLGSA-N 2 1 350.463 -0.347 20 0 FBADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386505 660466710 /nfs/dbraw/zinc/46/67/10/660466710.db2.gz HTOVWVVPOYBESU-ATNYBXOESA-N 2 1 350.463 -0.347 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386507 660466803 /nfs/dbraw/zinc/46/68/03/660466803.db2.gz HTOVWVVPOYBESU-BSXFFOKHSA-N 2 1 350.463 -0.347 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386509 660466752 /nfs/dbraw/zinc/46/67/52/660466752.db2.gz HTOVWVVPOYBESU-ZXFNITATSA-N 2 1 350.463 -0.347 20 0 FBADMP CN1CCOC[C@@]1(CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000922534981 660468035 /nfs/dbraw/zinc/46/80/35/660468035.db2.gz DEEXNMUTFJLIBT-KRWDZBQOSA-N 2 1 350.467 -0.989 20 0 FBADMP CN1CCOC[C@]1(CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000922534984 660468125 /nfs/dbraw/zinc/46/81/25/660468125.db2.gz DEEXNMUTFJLIBT-QGZVFWFLSA-N 2 1 350.467 -0.989 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cn2)CC1 ZINC000922636482 660468843 /nfs/dbraw/zinc/46/88/43/660468843.db2.gz CSOYXLQPZYBWNS-UHFFFAOYSA-N 2 1 356.496 -0.354 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)CNS(C)(=O)=O ZINC000923199577 660514084 /nfs/dbraw/zinc/51/40/84/660514084.db2.gz UFDNZOILWVCRCR-ZDUSSCGKSA-N 2 1 365.544 -0.115 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)CNS(C)(=O)=O ZINC000923199577 660514083 /nfs/dbraw/zinc/51/40/83/660514083.db2.gz UFDNZOILWVCRCR-ZDUSSCGKSA-N 2 1 365.544 -0.115 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000923199618 660514117 /nfs/dbraw/zinc/51/41/17/660514117.db2.gz VGNGJGSAFWAWST-KBPBESRZSA-N 2 1 363.528 -0.422 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000923199618 660514116 /nfs/dbraw/zinc/51/41/16/660514116.db2.gz VGNGJGSAFWAWST-KBPBESRZSA-N 2 1 363.528 -0.422 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923199619 660514072 /nfs/dbraw/zinc/51/40/72/660514072.db2.gz VGNGJGSAFWAWST-UONOGXRCSA-N 2 1 363.528 -0.422 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923199619 660514071 /nfs/dbraw/zinc/51/40/71/660514071.db2.gz VGNGJGSAFWAWST-UONOGXRCSA-N 2 1 363.528 -0.422 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(CO)COCCN1C ZINC000923201151 660514136 /nfs/dbraw/zinc/51/41/36/660514136.db2.gz LGSIFQVKKBCNBB-DOTOQJQBSA-N 2 1 359.515 -0.749 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(CO)COCCN1C ZINC000923201151 660514135 /nfs/dbraw/zinc/51/41/35/660514135.db2.gz LGSIFQVKKBCNBB-DOTOQJQBSA-N 2 1 359.515 -0.749 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@]1(CO)COCCN1C ZINC000923201157 660514091 /nfs/dbraw/zinc/51/40/91/660514091.db2.gz LGSIFQVKKBCNBB-RDJZCZTQSA-N 2 1 359.515 -0.749 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@]1(CO)COCCN1C ZINC000923201157 660514090 /nfs/dbraw/zinc/51/40/90/660514090.db2.gz LGSIFQVKKBCNBB-RDJZCZTQSA-N 2 1 359.515 -0.749 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000923201955 660514129 /nfs/dbraw/zinc/51/41/29/660514129.db2.gz XFVISCXMHWADIX-KBPBESRZSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000923201955 660514128 /nfs/dbraw/zinc/51/41/28/660514128.db2.gz XFVISCXMHWADIX-KBPBESRZSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000923201956 660514103 /nfs/dbraw/zinc/51/41/03/660514103.db2.gz XFVISCXMHWADIX-UONOGXRCSA-N 2 1 363.528 -0.279 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000923201956 660514102 /nfs/dbraw/zinc/51/41/02/660514102.db2.gz XFVISCXMHWADIX-UONOGXRCSA-N 2 1 363.528 -0.279 20 0 FBADMP COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324511 660516460 /nfs/dbraw/zinc/51/64/60/660516460.db2.gz WUXKARXXWARXFV-CVEARBPZSA-N 2 1 354.495 -0.476 20 0 FBADMP COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324512 660516475 /nfs/dbraw/zinc/51/64/75/660516475.db2.gz WUXKARXXWARXFV-HOTGVXAUSA-N 2 1 354.495 -0.476 20 0 FBADMP COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324513 660516535 /nfs/dbraw/zinc/51/65/35/660516535.db2.gz WUXKARXXWARXFV-HZPDHXFCSA-N 2 1 354.495 -0.476 20 0 FBADMP COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324514 660516528 /nfs/dbraw/zinc/51/65/28/660516528.db2.gz WUXKARXXWARXFV-JKSUJKDBSA-N 2 1 354.495 -0.476 20 0 FBADMP O=S(=O)([C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373856 660517271 /nfs/dbraw/zinc/51/72/71/660517271.db2.gz URSYELAJTOGZHH-CABCVRRESA-N 2 1 359.492 -0.509 20 0 FBADMP O=S(=O)([C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373857 660517224 /nfs/dbraw/zinc/51/72/24/660517224.db2.gz URSYELAJTOGZHH-GJZGRUSLSA-N 2 1 359.492 -0.509 20 0 FBADMP O=S(=O)([C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373858 660517241 /nfs/dbraw/zinc/51/72/41/660517241.db2.gz URSYELAJTOGZHH-HUUCEWRRSA-N 2 1 359.492 -0.509 20 0 FBADMP O=S(=O)([C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923374092 660517232 /nfs/dbraw/zinc/51/72/32/660517232.db2.gz URSYELAJTOGZHH-LSDHHAIUSA-N 2 1 359.492 -0.509 20 0 FBADMP COCCN(C)C[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397274 660517620 /nfs/dbraw/zinc/51/76/20/660517620.db2.gz BSLUHZUCUZRVNP-OAGGEKHMSA-N 2 1 356.467 -0.818 20 0 FBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397274 660517619 /nfs/dbraw/zinc/51/76/19/660517619.db2.gz BSLUHZUCUZRVNP-OAGGEKHMSA-N 2 1 356.467 -0.818 20 0 FBADMP COCCN(C)C[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397280 660517572 /nfs/dbraw/zinc/51/75/72/660517572.db2.gz BSLUHZUCUZRVNP-XHSDSOJGSA-N 2 1 356.467 -0.818 20 0 FBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397280 660517571 /nfs/dbraw/zinc/51/75/71/660517571.db2.gz BSLUHZUCUZRVNP-XHSDSOJGSA-N 2 1 356.467 -0.818 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923415209 660518194 /nfs/dbraw/zinc/51/81/94/660518194.db2.gz PEONHHPQIFRBBP-CWVYHPPDSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923415216 660518156 /nfs/dbraw/zinc/51/81/56/660518156.db2.gz PEONHHPQIFRBBP-JKJDWNRSSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923415218 660518165 /nfs/dbraw/zinc/51/81/65/660518165.db2.gz PEONHHPQIFRBBP-LJIZCISZSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923415222 660518181 /nfs/dbraw/zinc/51/81/81/660518181.db2.gz PEONHHPQIFRBBP-QCODTGAPSA-N 2 1 355.435 -0.590 20 0 FBADMP CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923423751 660518186 /nfs/dbraw/zinc/51/81/86/660518186.db2.gz NBVYXMHDOJHTAA-RCBQFDQVSA-N 2 1 354.476 -0.433 20 0 FBADMP COc1ccc([C@@H](C[NH3+])CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923437752 660518491 /nfs/dbraw/zinc/51/84/91/660518491.db2.gz YEGGYKXFVHYTBM-HNNXBMFYSA-N 2 1 368.503 -0.343 20 0 FBADMP COc1ccc([C@H](C[NH3+])CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923437753 660518550 /nfs/dbraw/zinc/51/85/50/660518550.db2.gz YEGGYKXFVHYTBM-OAHLLOKOSA-N 2 1 368.503 -0.343 20 0 FBADMP CCOC(=O)Cc1csc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459638 660519775 /nfs/dbraw/zinc/51/97/75/660519775.db2.gz JOSPUPLBEPUNRS-UHFFFAOYSA-N 2 1 355.464 -0.318 20 0 FBADMP COCCOc1cccc(CNC(=O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461472 660520291 /nfs/dbraw/zinc/52/02/91/660520291.db2.gz ONLAAOFEKGJHAL-UHFFFAOYSA-N 2 1 350.463 -0.177 20 0 FBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCCOc1ccc2c(c1)OCO2 ZINC000923461617 660520235 /nfs/dbraw/zinc/52/02/35/660520235.db2.gz RFAFSHYQZBMLCH-UHFFFAOYSA-N 2 1 350.419 -0.595 20 0 FBADMP COCCOc1ccc(CNC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461789 660520241 /nfs/dbraw/zinc/52/02/41/660520241.db2.gz VYFFOZGVPBUIGE-UHFFFAOYSA-N 2 1 350.463 -0.177 20 0 FBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCN(Cc2ccsc2)CC1 ZINC000923462324 660520213 /nfs/dbraw/zinc/52/02/13/660520213.db2.gz ISNNZGNBLWCHCP-UHFFFAOYSA-N 2 1 351.520 -0.113 20 0 FBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000923463112 660520199 /nfs/dbraw/zinc/52/01/99/660520199.db2.gz CZIFCECKYVFPAM-UHFFFAOYSA-N 2 1 365.503 -0.473 20 0 FBADMP CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923464004 660520280 /nfs/dbraw/zinc/52/02/80/660520280.db2.gz KBKGRNBYWWITBH-UHFFFAOYSA-N 2 1 367.519 -0.292 20 0 FBADMP NC(=O)CCN(C(=O)CN1CC[NH2+]CC[NH2+]CC1)c1ccc(F)cc1 ZINC000923464299 660520282 /nfs/dbraw/zinc/52/02/82/660520282.db2.gz LZRPIZKFHAQLKQ-UHFFFAOYSA-N 2 1 351.426 -0.471 20 0 FBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000923464358 660520294 /nfs/dbraw/zinc/52/02/94/660520294.db2.gz NDOJNEBYXRDHQI-UHFFFAOYSA-N 2 1 355.389 -0.486 20 0 FBADMP COc1ccc(CCNC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000923465733 660520325 /nfs/dbraw/zinc/52/03/25/660520325.db2.gz KOEKDVJVUPNAAS-UHFFFAOYSA-N 2 1 350.463 -0.143 20 0 FBADMP CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923466357 660520208 /nfs/dbraw/zinc/52/02/08/660520208.db2.gz WSWCFODBTFRLGO-UHFFFAOYSA-N 2 1 369.491 -0.630 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923483452 660520978 /nfs/dbraw/zinc/52/09/78/660520978.db2.gz OZNCYVBSMKEVOO-HNNXBMFYSA-N 2 1 353.511 -0.284 20 0 FBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923483453 660521012 /nfs/dbraw/zinc/52/10/12/660521012.db2.gz OZNCYVBSMKEVOO-OAHLLOKOSA-N 2 1 353.511 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[C@@H]1C[NH3+] ZINC000923500718 660521424 /nfs/dbraw/zinc/52/14/24/660521424.db2.gz XHTUBKGVNMIZGF-BZUAXINKSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[C@@H]1C[NH3+] ZINC000923500718 660521421 /nfs/dbraw/zinc/52/14/21/660521421.db2.gz XHTUBKGVNMIZGF-BZUAXINKSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[C@@H]1C[NH3+] ZINC000923500719 660521478 /nfs/dbraw/zinc/52/14/78/660521478.db2.gz XHTUBKGVNMIZGF-OAGGEKHMSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[C@@H]1C[NH3+] ZINC000923500719 660521477 /nfs/dbraw/zinc/52/14/77/660521477.db2.gz XHTUBKGVNMIZGF-OAGGEKHMSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[C@H]1C[NH3+] ZINC000923500720 660521411 /nfs/dbraw/zinc/52/14/11/660521411.db2.gz XHTUBKGVNMIZGF-OWCLPIDISA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[C@H]1C[NH3+] ZINC000923500720 660521409 /nfs/dbraw/zinc/52/14/09/660521409.db2.gz XHTUBKGVNMIZGF-OWCLPIDISA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[C@H]1C[NH3+] ZINC000923500721 660521472 /nfs/dbraw/zinc/52/14/72/660521472.db2.gz XHTUBKGVNMIZGF-PMPSAXMXSA-N 2 1 372.535 -0.766 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[C@H]1C[NH3+] ZINC000923500721 660521470 /nfs/dbraw/zinc/52/14/70/660521470.db2.gz XHTUBKGVNMIZGF-PMPSAXMXSA-N 2 1 372.535 -0.766 20 0 FBADMP CN1CC[NH+](Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000923588531 660524703 /nfs/dbraw/zinc/52/47/03/660524703.db2.gz FZUHMVPNASKDPN-UHFFFAOYSA-N 2 1 367.519 -0.326 20 0 FBADMP O=S(=O)(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923589553 660524762 /nfs/dbraw/zinc/52/47/62/660524762.db2.gz PZBXMLDUFZDVOW-UHFFFAOYSA-N 2 1 367.519 -0.062 20 0 FBADMP C[NH+]1CCN([C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)c2cccs2)CC1 ZINC000923597079 660146682 /nfs/dbraw/zinc/14/66/82/660146682.db2.gz LTMCOWUIDYCQGF-AWEZNQCLSA-N 2 1 373.548 -0.224 20 0 FBADMP C[NH+]1CCN([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)c2cccs2)CC1 ZINC000923597080 660146672 /nfs/dbraw/zinc/14/66/72/660146672.db2.gz LTMCOWUIDYCQGF-CQSZACIVSA-N 2 1 373.548 -0.224 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923601683 660530151 /nfs/dbraw/zinc/53/01/51/660530151.db2.gz WIYQUDDCJSDFDA-IYBDPMFKSA-N 2 1 359.540 -0.373 20 0 FBADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[NH2+]CC1 ZINC000923601864 660529922 /nfs/dbraw/zinc/52/99/22/660529922.db2.gz YRLXJPQPWSOLCY-UHFFFAOYSA-N 3 1 368.507 -0.667 20 0 FBADMP O=S(=O)(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH2+]C1 ZINC000923606775 661478641 /nfs/dbraw/zinc/47/86/41/661478641.db2.gz QCGAVYDMWVYVKO-UHFFFAOYSA-N 2 1 354.480 -0.730 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)CC1 ZINC000923608707 661479135 /nfs/dbraw/zinc/47/91/35/661479135.db2.gz PPLHJMJQIYSHMR-UHFFFAOYSA-N 2 1 358.508 -0.446 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612457 661480576 /nfs/dbraw/zinc/48/05/76/661480576.db2.gz QMUGOUUXLNLYDQ-DLBZAZTESA-N 2 1 374.551 -0.205 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612463 661480898 /nfs/dbraw/zinc/48/08/98/661480898.db2.gz QMUGOUUXLNLYDQ-IAGOWNOFSA-N 2 1 374.551 -0.205 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612465 661480964 /nfs/dbraw/zinc/48/09/64/661480964.db2.gz QMUGOUUXLNLYDQ-IRXDYDNUSA-N 2 1 374.551 -0.205 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612467 661480740 /nfs/dbraw/zinc/48/07/40/661480740.db2.gz QMUGOUUXLNLYDQ-SJORKVTESA-N 2 1 374.551 -0.205 20 0 FBADMP Cc1cc(N2CCC(NS(=O)(=O)N3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000923626853 661488168 /nfs/dbraw/zinc/48/81/68/661488168.db2.gz SYCHGSHJZZQIIK-UHFFFAOYSA-N 2 1 354.480 -0.198 20 0 FBADMP NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923671267 661545472 /nfs/dbraw/zinc/54/54/72/661545472.db2.gz JWZDPOMYRYHNLE-AWEZNQCLSA-N 2 1 358.508 -0.126 20 0 FBADMP NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923671268 661545660 /nfs/dbraw/zinc/54/56/60/661545660.db2.gz JWZDPOMYRYHNLE-CQSZACIVSA-N 2 1 358.508 -0.126 20 0 FBADMP O=S(=O)(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923675716 661545985 /nfs/dbraw/zinc/54/59/85/661545985.db2.gz ZOCJAVVEDXFZOR-CVEARBPZSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923675716 661545983 /nfs/dbraw/zinc/54/59/83/661545983.db2.gz ZOCJAVVEDXFZOR-CVEARBPZSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923675720 661546398 /nfs/dbraw/zinc/54/63/98/661546398.db2.gz ZOCJAVVEDXFZOR-HOTGVXAUSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923675720 661546396 /nfs/dbraw/zinc/54/63/96/661546396.db2.gz ZOCJAVVEDXFZOR-HOTGVXAUSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923675722 661546270 /nfs/dbraw/zinc/54/62/70/661546270.db2.gz ZOCJAVVEDXFZOR-HZPDHXFCSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923675722 661546268 /nfs/dbraw/zinc/54/62/68/661546268.db2.gz ZOCJAVVEDXFZOR-HZPDHXFCSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923675724 661546364 /nfs/dbraw/zinc/54/63/64/661546364.db2.gz ZOCJAVVEDXFZOR-JKSUJKDBSA-N 2 1 360.524 -0.546 20 0 FBADMP O=S(=O)(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923675724 661546361 /nfs/dbraw/zinc/54/63/61/661546361.db2.gz ZOCJAVVEDXFZOR-JKSUJKDBSA-N 2 1 360.524 -0.546 20 0 FBADMP CNC(=O)C[NH+]1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924892378 661638585 /nfs/dbraw/zinc/63/85/85/661638585.db2.gz VPDYUCTZCJODGS-AWEZNQCLSA-N 2 1 351.451 -0.397 20 0 FBADMP CNC(=O)C[NH+]1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924892385 661638565 /nfs/dbraw/zinc/63/85/65/661638565.db2.gz VPDYUCTZCJODGS-CQSZACIVSA-N 2 1 351.451 -0.397 20 0 FBADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924946410 658952335 /nfs/dbraw/zinc/95/23/35/658952335.db2.gz SGLGSNDPZWBOTI-AWEZNQCLSA-N 2 1 360.524 -0.200 20 0 FBADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924946412 658952133 /nfs/dbraw/zinc/95/21/33/658952133.db2.gz SGLGSNDPZWBOTI-CQSZACIVSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100523 658992901 /nfs/dbraw/zinc/99/29/01/658992901.db2.gz XFWBMFACMLMAGC-CABCVRRESA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100528 658993071 /nfs/dbraw/zinc/99/30/71/658993071.db2.gz XFWBMFACMLMAGC-GJZGRUSLSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100530 658992887 /nfs/dbraw/zinc/99/28/87/658992887.db2.gz XFWBMFACMLMAGC-HUUCEWRRSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100532 658993187 /nfs/dbraw/zinc/99/31/87/658993187.db2.gz XFWBMFACMLMAGC-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1=O ZINC000925169158 659886029 /nfs/dbraw/zinc/88/60/29/659886029.db2.gz YNQZBYDJODYVKM-CABCVRRESA-N 2 1 369.535 -0.018 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1=O ZINC000925169164 659886068 /nfs/dbraw/zinc/88/60/68/659886068.db2.gz YNQZBYDJODYVKM-GJZGRUSLSA-N 2 1 369.535 -0.018 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000925169167 659885981 /nfs/dbraw/zinc/88/59/81/659885981.db2.gz YNQZBYDJODYVKM-HUUCEWRRSA-N 2 1 369.535 -0.018 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000925169170 659886095 /nfs/dbraw/zinc/88/60/95/659886095.db2.gz YNQZBYDJODYVKM-LSDHHAIUSA-N 2 1 369.535 -0.018 20 0 FBADMP C[NH+]1CCN(C(=O)CCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925278149 661640491 /nfs/dbraw/zinc/64/04/91/661640491.db2.gz WGZDVAHDQJMZSM-AWEZNQCLSA-N 2 1 351.451 -0.443 20 0 FBADMP C[NH+]1CCN(C(=O)CCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925278150 659946385 /nfs/dbraw/zinc/94/63/85/659946385.db2.gz WGZDVAHDQJMZSM-CQSZACIVSA-N 2 1 351.451 -0.443 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(N1C(=O)N[C@@H](C[NH+](C)C)C1=O)C2 ZINC000925343919 660407368 /nfs/dbraw/zinc/40/73/68/660407368.db2.gz JXWRWDNPWVNCPY-PIGZVRMJSA-N 2 1 351.451 -0.448 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(N1C(=O)N[C@H](C[NH+](C)C)C1=O)C2 ZINC000925343921 660407382 /nfs/dbraw/zinc/40/73/82/660407382.db2.gz JXWRWDNPWVNCPY-QNMSZWNNSA-N 2 1 351.451 -0.448 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[N@H+]3CCN1CCC3)C2 ZINC000926164568 661644758 /nfs/dbraw/zinc/64/47/58/661644758.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000926164568 661644755 /nfs/dbraw/zinc/64/47/55/661644755.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164568 661644752 /nfs/dbraw/zinc/64/47/52/661644752.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[N@H+]3CCN1CCC3)C2 ZINC000926164570 661644630 /nfs/dbraw/zinc/64/46/30/661644630.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000926164570 661644628 /nfs/dbraw/zinc/64/46/28/661644628.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164570 661644627 /nfs/dbraw/zinc/64/46/27/661644627.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@H+]3CCN1CCC3)C2 ZINC000926164572 661644812 /nfs/dbraw/zinc/64/48/12/661644812.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000926164572 661644810 /nfs/dbraw/zinc/64/48/10/661644810.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164572 661644807 /nfs/dbraw/zinc/64/48/07/661644807.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@H+]3CCN1CCC3)C2 ZINC000926164574 661644665 /nfs/dbraw/zinc/64/46/65/661644665.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000926164574 661644662 /nfs/dbraw/zinc/64/46/62/661644662.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 2 1 350.507 -0.028 20 0 FBADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164574 661644660 /nfs/dbraw/zinc/64/46/60/661644660.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 2 1 350.507 -0.028 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926293710 661645684 /nfs/dbraw/zinc/64/56/84/661645684.db2.gz BMFPKGSRAWRNBG-HNNXBMFYSA-N 2 1 352.479 -0.103 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926293712 661645835 /nfs/dbraw/zinc/64/58/35/661645835.db2.gz BMFPKGSRAWRNBG-OAHLLOKOSA-N 2 1 352.479 -0.103 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926312397 661645963 /nfs/dbraw/zinc/64/59/63/661645963.db2.gz NVZBHDKEVSOTPE-HNNXBMFYSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926312397 661645958 /nfs/dbraw/zinc/64/59/58/661645958.db2.gz NVZBHDKEVSOTPE-HNNXBMFYSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926312398 661646221 /nfs/dbraw/zinc/64/62/21/661646221.db2.gz NVZBHDKEVSOTPE-OAHLLOKOSA-N 2 1 353.511 -0.332 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926312398 661646219 /nfs/dbraw/zinc/64/62/19/661646219.db2.gz NVZBHDKEVSOTPE-OAHLLOKOSA-N 2 1 353.511 -0.332 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926316848 661646019 /nfs/dbraw/zinc/64/60/19/661646019.db2.gz XVYNKYLUIRTPRB-UHFFFAOYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926316892 661646200 /nfs/dbraw/zinc/64/62/00/661646200.db2.gz YLCQVOGDUJHWFH-GOSISDBHSA-N 2 1 354.495 -0.123 20 0 FBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926316893 661646074 /nfs/dbraw/zinc/64/60/74/661646074.db2.gz YLCQVOGDUJHWFH-SFHVURJKSA-N 2 1 354.495 -0.123 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000926321952 661646397 /nfs/dbraw/zinc/64/63/97/661646397.db2.gz SYISXYOAWLGADU-DGXTUMSLSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926321953 661646586 /nfs/dbraw/zinc/64/65/86/661646586.db2.gz SYISXYOAWLGADU-IBEHDNSVSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926321953 661646583 /nfs/dbraw/zinc/64/65/83/661646583.db2.gz SYISXYOAWLGADU-IBEHDNSVSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000926321954 661646541 /nfs/dbraw/zinc/64/65/41/661646541.db2.gz SYISXYOAWLGADU-OXGONZEZSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926321955 661646419 /nfs/dbraw/zinc/64/64/19/661646419.db2.gz SYISXYOAWLGADU-RBGFHDKUSA-N 2 1 352.479 -0.108 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926321955 661646418 /nfs/dbraw/zinc/64/64/18/661646418.db2.gz SYISXYOAWLGADU-RBGFHDKUSA-N 2 1 352.479 -0.108 20 0 FBADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000926326532 661646592 /nfs/dbraw/zinc/64/65/92/661646592.db2.gz OAZDCIZWSHXERK-GOSISDBHSA-N 2 1 352.479 -0.225 20 0 FBADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000926326533 657496424 /nfs/dbraw/zinc/49/64/24/657496424.db2.gz OAZDCIZWSHXERK-SFHVURJKSA-N 2 1 352.479 -0.225 20 0 FBADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000926327021 661646366 /nfs/dbraw/zinc/64/63/66/661646366.db2.gz UGLPLVMHIRTXQO-UHFFFAOYSA-N 2 1 351.495 -0.515 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926327660 661646788 /nfs/dbraw/zinc/64/67/88/661646788.db2.gz ZYDSNRXDDICCBF-GOSISDBHSA-N 2 1 352.479 -0.354 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926327662 661646879 /nfs/dbraw/zinc/64/68/79/661646879.db2.gz ZYDSNRXDDICCBF-SFHVURJKSA-N 2 1 352.479 -0.354 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000926330936 661646909 /nfs/dbraw/zinc/64/69/09/661646909.db2.gz DECNMULMTQJWMH-CAOSSQGBSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000926330936 661646907 /nfs/dbraw/zinc/64/69/07/661646907.db2.gz DECNMULMTQJWMH-CAOSSQGBSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000926330938 661646830 /nfs/dbraw/zinc/64/68/30/661646830.db2.gz DECNMULMTQJWMH-KLHDSHLOSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000926330938 661646829 /nfs/dbraw/zinc/64/68/29/661646829.db2.gz DECNMULMTQJWMH-KLHDSHLOSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000926330941 661646918 /nfs/dbraw/zinc/64/69/18/661646918.db2.gz DECNMULMTQJWMH-QKPAOTATSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000926330941 661646916 /nfs/dbraw/zinc/64/69/16/661646916.db2.gz DECNMULMTQJWMH-QKPAOTATSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000926330942 661646859 /nfs/dbraw/zinc/64/68/59/661646859.db2.gz DECNMULMTQJWMH-ZJIFWQFVSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000926330942 661646858 /nfs/dbraw/zinc/64/68/58/661646858.db2.gz DECNMULMTQJWMH-ZJIFWQFVSA-N 2 1 354.495 -0.267 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000926330967 661646893 /nfs/dbraw/zinc/64/68/93/661646893.db2.gz DVXQQPTWBVQJBA-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000926330967 661646891 /nfs/dbraw/zinc/64/68/91/661646891.db2.gz DVXQQPTWBVQJBA-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1[NH3+] ZINC000926331157 661646803 /nfs/dbraw/zinc/64/68/03/661646803.db2.gz LDIMPNMVVCIICK-FVQBIDKESA-N 2 1 351.495 -0.581 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1[NH3+] ZINC000926331157 661646802 /nfs/dbraw/zinc/64/68/02/661646802.db2.gz LDIMPNMVVCIICK-FVQBIDKESA-N 2 1 351.495 -0.581 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1[NH3+] ZINC000926331158 661646842 /nfs/dbraw/zinc/64/68/42/661646842.db2.gz LDIMPNMVVCIICK-VNQPRFMTSA-N 2 1 351.495 -0.581 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1[NH3+] ZINC000926331158 661646840 /nfs/dbraw/zinc/64/68/40/661646840.db2.gz LDIMPNMVVCIICK-VNQPRFMTSA-N 2 1 351.495 -0.581 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000926331372 661646800 /nfs/dbraw/zinc/64/68/00/661646800.db2.gz HOUDKQGCBZJRRL-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000926331372 661646799 /nfs/dbraw/zinc/64/67/99/661646799.db2.gz HOUDKQGCBZJRRL-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000926331375 661646814 /nfs/dbraw/zinc/64/68/14/661646814.db2.gz HOUDKQGCBZJRRL-YHUYYLMFSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000926331375 661646813 /nfs/dbraw/zinc/64/68/13/661646813.db2.gz HOUDKQGCBZJRRL-YHUYYLMFSA-N 2 1 352.479 -0.500 20 0 FBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926331617 661647287 /nfs/dbraw/zinc/64/72/87/661647287.db2.gz HCLWCOPTFBSESW-CABCVRRESA-N 2 1 352.479 -0.247 20 0 FBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926331618 661647271 /nfs/dbraw/zinc/64/72/71/661647271.db2.gz HCLWCOPTFBSESW-GJZGRUSLSA-N 2 1 352.479 -0.247 20 0 FBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926331619 661647309 /nfs/dbraw/zinc/64/73/09/661647309.db2.gz HCLWCOPTFBSESW-HUUCEWRRSA-N 2 1 352.479 -0.247 20 0 FBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926331620 661647266 /nfs/dbraw/zinc/64/72/66/661647266.db2.gz HCLWCOPTFBSESW-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000926331791 661647223 /nfs/dbraw/zinc/64/72/23/661647223.db2.gz JZYXNWBHEUIOHB-JONQDZQNSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000926331791 661647221 /nfs/dbraw/zinc/64/72/21/661647221.db2.gz JZYXNWBHEUIOHB-JONQDZQNSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000926331792 661647255 /nfs/dbraw/zinc/64/72/55/661647255.db2.gz JZYXNWBHEUIOHB-QXSJWSMHSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000926331792 661647254 /nfs/dbraw/zinc/64/72/54/661647254.db2.gz JZYXNWBHEUIOHB-QXSJWSMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)C1 ZINC000926331983 661647257 /nfs/dbraw/zinc/64/72/57/661647257.db2.gz DBUOSIZPRLXOED-CVEARBPZSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)C1 ZINC000926331984 661647262 /nfs/dbraw/zinc/64/72/62/661647262.db2.gz DBUOSIZPRLXOED-HOTGVXAUSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)C1 ZINC000926331985 661647311 /nfs/dbraw/zinc/64/73/11/661647311.db2.gz DBUOSIZPRLXOED-HZPDHXFCSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)C1 ZINC000926331986 661647280 /nfs/dbraw/zinc/64/72/80/661647280.db2.gz DBUOSIZPRLXOED-JKSUJKDBSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332367 661647264 /nfs/dbraw/zinc/64/72/64/661647264.db2.gz MBEWTVUXMVFFAF-GOSISDBHSA-N 2 1 352.479 -0.354 20 0 FBADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332369 661647235 /nfs/dbraw/zinc/64/72/35/661647235.db2.gz MBEWTVUXMVFFAF-SFHVURJKSA-N 2 1 352.479 -0.354 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@H+]1CCOC ZINC000926332856 661647200 /nfs/dbraw/zinc/64/72/00/661647200.db2.gz PKCHGJIATHDAAT-ARFHVFGLSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000926332856 661647198 /nfs/dbraw/zinc/64/71/98/661647198.db2.gz PKCHGJIATHDAAT-ARFHVFGLSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000926332857 661647296 /nfs/dbraw/zinc/64/72/96/661647296.db2.gz PKCHGJIATHDAAT-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000926332857 661647295 /nfs/dbraw/zinc/64/72/95/661647295.db2.gz PKCHGJIATHDAAT-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[N@H+]1CCOC ZINC000926332859 661647299 /nfs/dbraw/zinc/64/72/99/661647299.db2.gz PKCHGJIATHDAAT-HRCADAONSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000926332859 661647298 /nfs/dbraw/zinc/64/72/98/661647298.db2.gz PKCHGJIATHDAAT-HRCADAONSA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000926332861 661647305 /nfs/dbraw/zinc/64/73/05/661647305.db2.gz PKCHGJIATHDAAT-OWCLPIDISA-N 2 1 354.495 -0.001 20 0 FBADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000926332861 661647304 /nfs/dbraw/zinc/64/73/04/661647304.db2.gz PKCHGJIATHDAAT-OWCLPIDISA-N 2 1 354.495 -0.001 20 0 FBADMP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000926333443 661647240 /nfs/dbraw/zinc/64/72/40/661647240.db2.gz JTSXLODQPHMRFC-CABCVRRESA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000926333450 661647205 /nfs/dbraw/zinc/64/72/05/661647205.db2.gz JTSXLODQPHMRFC-GJZGRUSLSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000926333457 661647246 /nfs/dbraw/zinc/64/72/46/661647246.db2.gz JTSXLODQPHMRFC-HUUCEWRRSA-N 2 1 350.463 -0.351 20 0 FBADMP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000926333463 661647289 /nfs/dbraw/zinc/64/72/89/661647289.db2.gz JTSXLODQPHMRFC-LSDHHAIUSA-N 2 1 350.463 -0.351 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC000926333772 661647215 /nfs/dbraw/zinc/64/72/15/661647215.db2.gz SFNKJZDGISLYPR-MPGHIAIKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC000926333772 661647213 /nfs/dbraw/zinc/64/72/13/661647213.db2.gz SFNKJZDGISLYPR-MPGHIAIKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC000926333869 661647244 /nfs/dbraw/zinc/64/72/44/661647244.db2.gz SFNKJZDGISLYPR-RLFYNMQTSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC000926333869 661647243 /nfs/dbraw/zinc/64/72/43/661647243.db2.gz SFNKJZDGISLYPR-RLFYNMQTSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC000926333870 661647250 /nfs/dbraw/zinc/64/72/50/661647250.db2.gz SFNKJZDGISLYPR-RVKKMQEKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC000926333870 661647249 /nfs/dbraw/zinc/64/72/49/661647249.db2.gz SFNKJZDGISLYPR-RVKKMQEKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC000926333871 661647274 /nfs/dbraw/zinc/64/72/74/661647274.db2.gz SFNKJZDGISLYPR-VKJFTORMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC000926333871 661647273 /nfs/dbraw/zinc/64/72/73/661647273.db2.gz SFNKJZDGISLYPR-VKJFTORMSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CCOC ZINC000926333929 661647315 /nfs/dbraw/zinc/64/73/15/661647315.db2.gz SRGVDXFBWCXDQF-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CCOC ZINC000926333929 661647314 /nfs/dbraw/zinc/64/73/14/661647314.db2.gz SRGVDXFBWCXDQF-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1CC ZINC000926334377 661647553 /nfs/dbraw/zinc/64/75/53/661647553.db2.gz VNKRLHAVABBNKD-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1CC ZINC000926334377 661647551 /nfs/dbraw/zinc/64/75/51/661647551.db2.gz VNKRLHAVABBNKD-BZUAXINKSA-N 2 1 354.495 -0.001 20 0 FBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1CC ZINC000926334378 661647604 /nfs/dbraw/zinc/64/76/04/661647604.db2.gz VNKRLHAVABBNKD-OAGGEKHMSA-N 2 1 354.495 -0.001 20 0 FBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1CC ZINC000926334378 661647603 /nfs/dbraw/zinc/64/76/03/661647603.db2.gz VNKRLHAVABBNKD-OAGGEKHMSA-N 2 1 354.495 -0.001 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926335630 661647597 /nfs/dbraw/zinc/64/75/97/661647597.db2.gz AZZDALAIIKEPLT-GOEBONIOSA-N 2 1 352.479 -0.498 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926336005 661647660 /nfs/dbraw/zinc/64/76/60/661647660.db2.gz VNRAJDOOMGLHLV-JKSUJKDBSA-N 2 1 351.495 -0.707 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[C@H]1C[NH3+] ZINC000926336809 661647516 /nfs/dbraw/zinc/64/75/16/661647516.db2.gz HRQOOGIGNDQEQX-CABCVRRESA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[C@H]1C[NH3+] ZINC000926336811 661647617 /nfs/dbraw/zinc/64/76/17/661647617.db2.gz HRQOOGIGNDQEQX-GJZGRUSLSA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[C@@H]1C[NH3+] ZINC000926336812 661647666 /nfs/dbraw/zinc/64/76/66/661647666.db2.gz HRQOOGIGNDQEQX-HUUCEWRRSA-N 2 1 354.495 -0.265 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[C@@H]1C[NH3+] ZINC000926336814 661647566 /nfs/dbraw/zinc/64/75/66/661647566.db2.gz HRQOOGIGNDQEQX-LSDHHAIUSA-N 2 1 354.495 -0.265 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926337422 661647612 /nfs/dbraw/zinc/64/76/12/661647612.db2.gz OLEVPOVAPFOCGP-LSDHHAIUSA-N 2 1 352.479 -0.641 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926344580 661647878 /nfs/dbraw/zinc/64/78/78/661647878.db2.gz KZZWYQKSVWNOQC-CABCVRRESA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926344581 661647978 /nfs/dbraw/zinc/64/79/78/661647978.db2.gz KZZWYQKSVWNOQC-GJZGRUSLSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926344582 661647966 /nfs/dbraw/zinc/64/79/66/661647966.db2.gz KZZWYQKSVWNOQC-HUUCEWRRSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926344583 661647795 /nfs/dbraw/zinc/64/77/95/661647795.db2.gz KZZWYQKSVWNOQC-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000926344585 661647942 /nfs/dbraw/zinc/64/79/42/661647942.db2.gz LCSVDVXJAWFGIZ-GOEBONIOSA-N 2 1 350.463 -0.480 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926346159 661647915 /nfs/dbraw/zinc/64/79/15/661647915.db2.gz IMUMGJBVAFECJZ-CABCVRRESA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926346160 661648217 /nfs/dbraw/zinc/64/82/17/661648217.db2.gz IMUMGJBVAFECJZ-GJZGRUSLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926346161 661648114 /nfs/dbraw/zinc/64/81/14/661648114.db2.gz IMUMGJBVAFECJZ-HUUCEWRRSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926346162 661648133 /nfs/dbraw/zinc/64/81/33/661648133.db2.gz IMUMGJBVAFECJZ-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926347139 657508554 /nfs/dbraw/zinc/50/85/54/657508554.db2.gz XAZRYGHBJFIQAC-LSDHHAIUSA-N 2 1 350.463 -0.623 20 0 FBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926350460 661648494 /nfs/dbraw/zinc/64/84/94/661648494.db2.gz BJWHZPRNIHJMSW-CRAIPNDOSA-N 2 1 352.479 -0.511 20 0 FBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926350461 661648400 /nfs/dbraw/zinc/64/84/00/661648400.db2.gz BJWHZPRNIHJMSW-MAUKXSAKSA-N 2 1 352.479 -0.511 20 0 FBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926350462 661648460 /nfs/dbraw/zinc/64/84/60/661648460.db2.gz BJWHZPRNIHJMSW-QAPCUYQASA-N 2 1 352.479 -0.511 20 0 FBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926350463 661648532 /nfs/dbraw/zinc/64/85/32/661648532.db2.gz BJWHZPRNIHJMSW-YJBOKZPZSA-N 2 1 352.479 -0.511 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000926352679 661648525 /nfs/dbraw/zinc/64/85/25/661648525.db2.gz DHWICUUQINLWRS-SOUVJXGZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000926352679 661648523 /nfs/dbraw/zinc/64/85/23/661648523.db2.gz DHWICUUQINLWRS-SOUVJXGZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926353312 661648508 /nfs/dbraw/zinc/64/85/08/661648508.db2.gz RTQIPTAIJCIQFH-INIZCTEOSA-N 2 1 351.495 -0.802 20 0 FBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926353313 661648473 /nfs/dbraw/zinc/64/84/73/661648473.db2.gz RTQIPTAIJCIQFH-MRXNPFEDSA-N 2 1 351.495 -0.802 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000926353589 661648497 /nfs/dbraw/zinc/64/84/97/661648497.db2.gz KAWMNHLHHHAFCK-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000926353589 661648496 /nfs/dbraw/zinc/64/84/96/661648496.db2.gz KAWMNHLHHHAFCK-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926355196 661648772 /nfs/dbraw/zinc/64/87/72/661648772.db2.gz DNPORYYWDXSLCN-HRCADAONSA-N 2 1 350.463 -0.765 20 0 FBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926355199 661648880 /nfs/dbraw/zinc/64/88/80/661648880.db2.gz DNPORYYWDXSLCN-OWCLPIDISA-N 2 1 350.463 -0.765 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@H]1C[NH3+] ZINC000926355975 661648825 /nfs/dbraw/zinc/64/88/25/661648825.db2.gz VFROWEWUMGSWBC-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@H]1C[NH3+] ZINC000926355975 661648823 /nfs/dbraw/zinc/64/88/23/661648823.db2.gz VFROWEWUMGSWBC-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000926355976 661648802 /nfs/dbraw/zinc/64/88/02/661648802.db2.gz VFROWEWUMGSWBC-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000926355976 661648799 /nfs/dbraw/zinc/64/87/99/661648799.db2.gz VFROWEWUMGSWBC-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@@H]1C[NH3+] ZINC000926355977 661648877 /nfs/dbraw/zinc/64/88/77/661648877.db2.gz VFROWEWUMGSWBC-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[C@@H]1C[NH3+] ZINC000926355977 661648876 /nfs/dbraw/zinc/64/88/76/661648876.db2.gz VFROWEWUMGSWBC-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000926355978 661648836 /nfs/dbraw/zinc/64/88/36/661648836.db2.gz VFROWEWUMGSWBC-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000926355978 661648834 /nfs/dbraw/zinc/64/88/34/661648834.db2.gz VFROWEWUMGSWBC-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC000926356872 661648842 /nfs/dbraw/zinc/64/88/42/661648842.db2.gz PTWUZUDSNXSKFY-BZUAXINKSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC000926356874 661648905 /nfs/dbraw/zinc/64/89/05/661648905.db2.gz PTWUZUDSNXSKFY-OAGGEKHMSA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC000926356876 661648751 /nfs/dbraw/zinc/64/87/51/661648751.db2.gz PTWUZUDSNXSKFY-OWCLPIDISA-N 2 1 352.479 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC000926356878 661648846 /nfs/dbraw/zinc/64/88/46/661648846.db2.gz PTWUZUDSNXSKFY-PMPSAXMXSA-N 2 1 352.479 -0.390 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000926357182 661648808 /nfs/dbraw/zinc/64/88/08/661648808.db2.gz UGWUDGYGGAKPMZ-HRCADAONSA-N 2 1 350.463 -0.623 20 0 FBADMP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000926357184 661648859 /nfs/dbraw/zinc/64/88/59/661648859.db2.gz UGWUDGYGGAKPMZ-OWCLPIDISA-N 2 1 350.463 -0.623 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926359778 661648786 /nfs/dbraw/zinc/64/87/86/661648786.db2.gz KSKCHZYTXYINHP-HNNXBMFYSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926359781 661649187 /nfs/dbraw/zinc/64/91/87/661649187.db2.gz KSKCHZYTXYINHP-OAHLLOKOSA-N 2 1 352.479 -0.105 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000926360726 661649108 /nfs/dbraw/zinc/64/91/08/661649108.db2.gz IWEFAQHGMGOZEV-OAGGEKHMSA-N 2 1 354.495 -0.001 20 0 FBADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000926360726 661649105 /nfs/dbraw/zinc/64/91/05/661649105.db2.gz IWEFAQHGMGOZEV-OAGGEKHMSA-N 2 1 354.495 -0.001 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926364468 661649210 /nfs/dbraw/zinc/64/92/10/661649210.db2.gz NFBDQGUPGQSOSH-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926364468 661649207 /nfs/dbraw/zinc/64/92/07/661649207.db2.gz NFBDQGUPGQSOSH-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926365020 661649150 /nfs/dbraw/zinc/64/91/50/661649150.db2.gz RNISDQWEPNRXPP-SOUVJXGZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926365020 661649147 /nfs/dbraw/zinc/64/91/47/661649147.db2.gz RNISDQWEPNRXPP-SOUVJXGZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[C@H]1C[NH3+] ZINC000926366081 661649472 /nfs/dbraw/zinc/64/94/72/661649472.db2.gz ZTKYDUPHPBAEMA-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[C@H]1C[NH3+] ZINC000926366081 661649469 /nfs/dbraw/zinc/64/94/69/661649469.db2.gz ZTKYDUPHPBAEMA-ILXRZTDVSA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926366082 661649397 /nfs/dbraw/zinc/64/93/97/661649397.db2.gz ZTKYDUPHPBAEMA-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926366082 661649394 /nfs/dbraw/zinc/64/93/94/661649394.db2.gz ZTKYDUPHPBAEMA-KFWWJZLASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000926366083 661649548 /nfs/dbraw/zinc/64/95/48/661649548.db2.gz ZTKYDUPHPBAEMA-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000926366083 661649545 /nfs/dbraw/zinc/64/95/45/661649545.db2.gz ZTKYDUPHPBAEMA-QLFBSQMISA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926366084 661649541 /nfs/dbraw/zinc/64/95/41/661649541.db2.gz ZTKYDUPHPBAEMA-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926366084 661649540 /nfs/dbraw/zinc/64/95/40/661649540.db2.gz ZTKYDUPHPBAEMA-RBSFLKMASA-N 2 1 354.495 -0.267 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383725 661649760 /nfs/dbraw/zinc/64/97/60/661649760.db2.gz VCIIWQILRQUCCG-CABCVRRESA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383726 661649709 /nfs/dbraw/zinc/64/97/09/661649709.db2.gz VCIIWQILRQUCCG-GJZGRUSLSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383727 661650063 /nfs/dbraw/zinc/65/00/63/661650063.db2.gz VCIIWQILRQUCCG-HUUCEWRRSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383728 661650102 /nfs/dbraw/zinc/65/01/02/661650102.db2.gz VCIIWQILRQUCCG-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926386534 661650071 /nfs/dbraw/zinc/65/00/71/661650071.db2.gz NEXWCHFMISOJLC-CABCVRRESA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926386535 661650107 /nfs/dbraw/zinc/65/01/07/661650107.db2.gz NEXWCHFMISOJLC-GJZGRUSLSA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926386536 661650079 /nfs/dbraw/zinc/65/00/79/661650079.db2.gz NEXWCHFMISOJLC-HUUCEWRRSA-N 2 1 354.495 -0.001 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926386537 661650026 /nfs/dbraw/zinc/65/00/26/661650026.db2.gz NEXWCHFMISOJLC-LSDHHAIUSA-N 2 1 354.495 -0.001 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926398980 661650621 /nfs/dbraw/zinc/65/06/21/661650621.db2.gz RRAKRRCULNSGQB-HNNXBMFYSA-N 2 1 352.479 -0.105 20 0 FBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926398981 661650699 /nfs/dbraw/zinc/65/06/99/661650699.db2.gz RRAKRRCULNSGQB-OAHLLOKOSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@H](C)[N@@H+]1C ZINC000926402506 661650601 /nfs/dbraw/zinc/65/06/01/661650601.db2.gz VEIMBFGWQRGBLW-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@H](C)[N@H+]1C ZINC000926402506 661650599 /nfs/dbraw/zinc/65/05/99/661650599.db2.gz VEIMBFGWQRGBLW-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@H](C)[N@@H+]1C ZINC000926402508 661650617 /nfs/dbraw/zinc/65/06/17/661650617.db2.gz VEIMBFGWQRGBLW-ZNMIVQPWSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@H](C)[N@H+]1C ZINC000926402508 661650615 /nfs/dbraw/zinc/65/06/15/661650615.db2.gz VEIMBFGWQRGBLW-ZNMIVQPWSA-N 2 1 352.479 -0.106 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1(C)C ZINC000926403607 661650689 /nfs/dbraw/zinc/65/06/89/661650689.db2.gz ZXCGYQSOLXVXRX-AWEZNQCLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1(C)C ZINC000926403607 661650687 /nfs/dbraw/zinc/65/06/87/661650687.db2.gz ZXCGYQSOLXVXRX-AWEZNQCLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1(C)C ZINC000926403608 661650585 /nfs/dbraw/zinc/65/05/85/661650585.db2.gz ZXCGYQSOLXVXRX-CQSZACIVSA-N 2 1 352.479 -0.105 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1(C)C ZINC000926403608 661650584 /nfs/dbraw/zinc/65/05/84/661650584.db2.gz ZXCGYQSOLXVXRX-CQSZACIVSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926416047 657540921 /nfs/dbraw/zinc/54/09/21/657540921.db2.gz MIKVOTSWXQHGPM-CVEARBPZSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926416047 657540916 /nfs/dbraw/zinc/54/09/16/657540916.db2.gz MIKVOTSWXQHGPM-CVEARBPZSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926416048 657540746 /nfs/dbraw/zinc/54/07/46/657540746.db2.gz MIKVOTSWXQHGPM-HOTGVXAUSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926416048 657540739 /nfs/dbraw/zinc/54/07/39/657540739.db2.gz MIKVOTSWXQHGPM-HOTGVXAUSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926416049 657540939 /nfs/dbraw/zinc/54/09/39/657540939.db2.gz MIKVOTSWXQHGPM-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926416049 657540937 /nfs/dbraw/zinc/54/09/37/657540937.db2.gz MIKVOTSWXQHGPM-HZPDHXFCSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926416050 657540966 /nfs/dbraw/zinc/54/09/66/657540966.db2.gz MIKVOTSWXQHGPM-JKSUJKDBSA-N 2 1 355.527 -0.228 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926416050 657540961 /nfs/dbraw/zinc/54/09/61/657540961.db2.gz MIKVOTSWXQHGPM-JKSUJKDBSA-N 2 1 355.527 -0.228 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)[N@@H+](C)C1 ZINC000926439262 661651706 /nfs/dbraw/zinc/65/17/06/661651706.db2.gz GAZZJHGRHDRZHD-MPGHIAIKSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)[N@@H+](C)C1 ZINC000926439263 661651794 /nfs/dbraw/zinc/65/17/94/661651794.db2.gz GAZZJHGRHDRZHD-RLFYNMQTSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)[N@@H+]1CCO ZINC000926443300 661651739 /nfs/dbraw/zinc/65/17/39/661651739.db2.gz KLSQPZNDVIEODS-DAYGRLMNSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)[N@H+]1CCO ZINC000926443300 661651737 /nfs/dbraw/zinc/65/17/37/661651737.db2.gz KLSQPZNDVIEODS-DAYGRLMNSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)[N@@H+]1CCO ZINC000926443301 661651827 /nfs/dbraw/zinc/65/18/27/661651827.db2.gz KLSQPZNDVIEODS-RVKKMQEKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)[N@H+]1CCO ZINC000926443301 661651825 /nfs/dbraw/zinc/65/18/25/661651825.db2.gz KLSQPZNDVIEODS-RVKKMQEKSA-N 2 1 352.479 -0.356 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC[N@H+]1CCO ZINC000926443918 661651818 /nfs/dbraw/zinc/65/18/18/661651818.db2.gz OELDYALFRFUIHC-GOSISDBHSA-N 2 1 352.479 -0.354 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC[N@@H+]1CCO ZINC000926443918 661651816 /nfs/dbraw/zinc/65/18/16/661651816.db2.gz OELDYALFRFUIHC-GOSISDBHSA-N 2 1 352.479 -0.354 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC[N@H+]1CCO ZINC000926443919 657583456 /nfs/dbraw/zinc/58/34/56/657583456.db2.gz OELDYALFRFUIHC-SFHVURJKSA-N 2 1 352.479 -0.354 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC[N@@H+]1CCO ZINC000926443919 657583446 /nfs/dbraw/zinc/58/34/46/657583446.db2.gz OELDYALFRFUIHC-SFHVURJKSA-N 2 1 352.479 -0.354 20 0 FBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000928452299 661660595 /nfs/dbraw/zinc/66/05/95/661660595.db2.gz VGXONAQRDSTYMN-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000928452299 661660593 /nfs/dbraw/zinc/66/05/93/661660593.db2.gz VGXONAQRDSTYMN-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000928452305 661660627 /nfs/dbraw/zinc/66/06/27/661660627.db2.gz VGXONAQRDSTYMN-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000928452305 661660624 /nfs/dbraw/zinc/66/06/24/661660624.db2.gz VGXONAQRDSTYMN-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000928452316 661660611 /nfs/dbraw/zinc/66/06/11/661660611.db2.gz VGXONAQRDSTYMN-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000928452316 661660609 /nfs/dbraw/zinc/66/06/09/661660609.db2.gz VGXONAQRDSTYMN-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000928452323 661660648 /nfs/dbraw/zinc/66/06/48/661660648.db2.gz VGXONAQRDSTYMN-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000928452323 661660646 /nfs/dbraw/zinc/66/06/46/661660646.db2.gz VGXONAQRDSTYMN-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000929198492 661663553 /nfs/dbraw/zinc/66/35/53/661663553.db2.gz OFPGELFPXKPTGQ-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000929198493 661663514 /nfs/dbraw/zinc/66/35/14/661663514.db2.gz OFPGELFPXKPTGQ-HOTGVXAUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000929198494 661663448 /nfs/dbraw/zinc/66/34/48/661663448.db2.gz OFPGELFPXKPTGQ-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000929198495 661663582 /nfs/dbraw/zinc/66/35/82/661663582.db2.gz OFPGELFPXKPTGQ-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929198566 661663545 /nfs/dbraw/zinc/66/35/45/661663545.db2.gz RENZQGUCDCKDFD-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929198800 661663566 /nfs/dbraw/zinc/66/35/66/661663566.db2.gz RENZQGUCDCKDFD-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291021 661664222 /nfs/dbraw/zinc/66/42/22/661664222.db2.gz BDFIDQOJJFUDSH-BFHYXJOUSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291021 661664221 /nfs/dbraw/zinc/66/42/21/661664221.db2.gz BDFIDQOJJFUDSH-BFHYXJOUSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291021 661664220 /nfs/dbraw/zinc/66/42/20/661664220.db2.gz BDFIDQOJJFUDSH-BFHYXJOUSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291021 661664218 /nfs/dbraw/zinc/66/42/18/661664218.db2.gz BDFIDQOJJFUDSH-BFHYXJOUSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291022 661664256 /nfs/dbraw/zinc/66/42/56/661664256.db2.gz BDFIDQOJJFUDSH-MCIONIFRSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291022 661664254 /nfs/dbraw/zinc/66/42/54/661664254.db2.gz BDFIDQOJJFUDSH-MCIONIFRSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](C)[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291022 661664253 /nfs/dbraw/zinc/66/42/53/661664253.db2.gz BDFIDQOJJFUDSH-MCIONIFRSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](C)[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291022 661664252 /nfs/dbraw/zinc/66/42/52/661664252.db2.gz BDFIDQOJJFUDSH-MCIONIFRSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291023 661664382 /nfs/dbraw/zinc/66/43/82/661664382.db2.gz BDFIDQOJJFUDSH-MGPQQGTHSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291023 661664380 /nfs/dbraw/zinc/66/43/80/661664380.db2.gz BDFIDQOJJFUDSH-MGPQQGTHSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291023 661664377 /nfs/dbraw/zinc/66/43/77/661664377.db2.gz BDFIDQOJJFUDSH-MGPQQGTHSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000929291023 661664375 /nfs/dbraw/zinc/66/43/75/661664375.db2.gz BDFIDQOJJFUDSH-MGPQQGTHSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291024 661664326 /nfs/dbraw/zinc/66/43/26/661664326.db2.gz BDFIDQOJJFUDSH-MJBXVCDLSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291024 661664325 /nfs/dbraw/zinc/66/43/25/661664325.db2.gz BDFIDQOJJFUDSH-MJBXVCDLSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H](C)[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291024 661664324 /nfs/dbraw/zinc/66/43/24/661664324.db2.gz BDFIDQOJJFUDSH-MJBXVCDLSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H](C)[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000929291024 661664323 /nfs/dbraw/zinc/66/43/23/661664323.db2.gz BDFIDQOJJFUDSH-MJBXVCDLSA-N 2 1 355.435 -0.519 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000929428010 661665825 /nfs/dbraw/zinc/66/58/25/661665825.db2.gz PAEDIOAJCIFABE-QAPCUYQASA-N 2 1 352.479 -0.375 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465077 661666044 /nfs/dbraw/zinc/66/60/44/661666044.db2.gz MUCDLMLMAFXMOR-IAOVAPTHSA-N 2 1 354.520 -0.050 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465078 661666078 /nfs/dbraw/zinc/66/60/78/661666078.db2.gz MUCDLMLMAFXMOR-XKQJLSEDSA-N 2 1 354.520 -0.050 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929526468 661667033 /nfs/dbraw/zinc/66/70/33/661667033.db2.gz RYMRWSAJOZZWPE-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929526468 661667031 /nfs/dbraw/zinc/66/70/31/661667031.db2.gz RYMRWSAJOZZWPE-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929526468 661667029 /nfs/dbraw/zinc/66/70/29/661667029.db2.gz RYMRWSAJOZZWPE-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929526468 661667025 /nfs/dbraw/zinc/66/70/25/661667025.db2.gz RYMRWSAJOZZWPE-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929526469 661666970 /nfs/dbraw/zinc/66/69/70/661666970.db2.gz RYMRWSAJOZZWPE-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929526469 661666969 /nfs/dbraw/zinc/66/69/69/661666969.db2.gz RYMRWSAJOZZWPE-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929526469 661666967 /nfs/dbraw/zinc/66/69/67/661666967.db2.gz RYMRWSAJOZZWPE-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929526469 661666966 /nfs/dbraw/zinc/66/69/66/661666966.db2.gz RYMRWSAJOZZWPE-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929526470 661666950 /nfs/dbraw/zinc/66/69/50/661666950.db2.gz RYMRWSAJOZZWPE-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929526470 661666948 /nfs/dbraw/zinc/66/69/48/661666948.db2.gz RYMRWSAJOZZWPE-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929526470 661666947 /nfs/dbraw/zinc/66/69/47/661666947.db2.gz RYMRWSAJOZZWPE-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929526470 661666946 /nfs/dbraw/zinc/66/69/46/661666946.db2.gz RYMRWSAJOZZWPE-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929526471 661667054 /nfs/dbraw/zinc/66/70/54/661667054.db2.gz RYMRWSAJOZZWPE-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929526471 661667053 /nfs/dbraw/zinc/66/70/53/661667053.db2.gz RYMRWSAJOZZWPE-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929526471 661667052 /nfs/dbraw/zinc/66/70/52/661667052.db2.gz RYMRWSAJOZZWPE-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929526471 661667050 /nfs/dbraw/zinc/66/70/50/661667050.db2.gz RYMRWSAJOZZWPE-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929628531 661668115 /nfs/dbraw/zinc/66/81/15/661668115.db2.gz TUOOYKJVMBOGOX-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929628532 661668098 /nfs/dbraw/zinc/66/80/98/661668098.db2.gz TUOOYKJVMBOGOX-HRCADAONSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929628533 661668070 /nfs/dbraw/zinc/66/80/70/661668070.db2.gz TUOOYKJVMBOGOX-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929628534 661668046 /nfs/dbraw/zinc/66/80/46/661668046.db2.gz TUOOYKJVMBOGOX-XHSDSOJGSA-N 2 1 354.495 -0.110 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000929645847 661668064 /nfs/dbraw/zinc/66/80/64/661668064.db2.gz LJNZEUKHWYOJDZ-KBXCAEBGSA-N 2 1 352.479 -0.377 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929746565 661669050 /nfs/dbraw/zinc/66/90/50/661669050.db2.gz FXONSMTXVUZXOG-BMFZPTHFSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929746565 661669049 /nfs/dbraw/zinc/66/90/49/661669049.db2.gz FXONSMTXVUZXOG-BMFZPTHFSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929746565 661669047 /nfs/dbraw/zinc/66/90/47/661669047.db2.gz FXONSMTXVUZXOG-BMFZPTHFSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929746566 661669088 /nfs/dbraw/zinc/66/90/88/661669088.db2.gz FXONSMTXVUZXOG-FVQBIDKESA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929746566 661669087 /nfs/dbraw/zinc/66/90/87/661669087.db2.gz FXONSMTXVUZXOG-FVQBIDKESA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929746566 661669085 /nfs/dbraw/zinc/66/90/85/661669085.db2.gz FXONSMTXVUZXOG-FVQBIDKESA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929746567 661668914 /nfs/dbraw/zinc/66/89/14/661668914.db2.gz FXONSMTXVUZXOG-KBMXLJTQSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929746567 661668911 /nfs/dbraw/zinc/66/89/11/661668911.db2.gz FXONSMTXVUZXOG-KBMXLJTQSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929746567 661668908 /nfs/dbraw/zinc/66/89/08/661668908.db2.gz FXONSMTXVUZXOG-KBMXLJTQSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929746568 661669019 /nfs/dbraw/zinc/66/90/19/661669019.db2.gz FXONSMTXVUZXOG-VNQPRFMTSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929746568 661669016 /nfs/dbraw/zinc/66/90/16/661669016.db2.gz FXONSMTXVUZXOG-VNQPRFMTSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929746568 661669014 /nfs/dbraw/zinc/66/90/14/661669014.db2.gz FXONSMTXVUZXOG-VNQPRFMTSA-N 2 1 350.463 -0.603 20 0 FBADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000929750438 661668849 /nfs/dbraw/zinc/66/88/49/661668849.db2.gz XAKKXCPIGQECGF-BBRMVZONSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929750438 661668848 /nfs/dbraw/zinc/66/88/48/661668848.db2.gz XAKKXCPIGQECGF-BBRMVZONSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929750438 661668845 /nfs/dbraw/zinc/66/88/45/661668845.db2.gz XAKKXCPIGQECGF-BBRMVZONSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929750439 661668988 /nfs/dbraw/zinc/66/89/88/661668988.db2.gz XAKKXCPIGQECGF-CJNGLKHVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929750439 661668985 /nfs/dbraw/zinc/66/89/85/661668985.db2.gz XAKKXCPIGQECGF-CJNGLKHVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929750439 661668982 /nfs/dbraw/zinc/66/89/82/661668982.db2.gz XAKKXCPIGQECGF-CJNGLKHVSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929750440 661669095 /nfs/dbraw/zinc/66/90/95/661669095.db2.gz XAKKXCPIGQECGF-CZUORRHYSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929750440 661669094 /nfs/dbraw/zinc/66/90/94/661669094.db2.gz XAKKXCPIGQECGF-CZUORRHYSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929750440 661669093 /nfs/dbraw/zinc/66/90/93/661669093.db2.gz XAKKXCPIGQECGF-CZUORRHYSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000929750441 661668944 /nfs/dbraw/zinc/66/89/44/661668944.db2.gz XAKKXCPIGQECGF-XJKSGUPXSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929750441 661668941 /nfs/dbraw/zinc/66/89/41/661668941.db2.gz XAKKXCPIGQECGF-XJKSGUPXSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929750441 661668937 /nfs/dbraw/zinc/66/89/37/661668937.db2.gz XAKKXCPIGQECGF-XJKSGUPXSA-N 2 1 350.463 -0.291 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C[NH+]1CCOCC1 ZINC000929862759 661669758 /nfs/dbraw/zinc/66/97/58/661669758.db2.gz CWATTWDACYQCOP-RLFYNMQTSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C[NH+]1CCOCC1 ZINC000929862759 661669757 /nfs/dbraw/zinc/66/97/57/661669757.db2.gz CWATTWDACYQCOP-RLFYNMQTSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C[NH+]1CCOCC1 ZINC000929862760 661669851 /nfs/dbraw/zinc/66/98/51/661669851.db2.gz CWATTWDACYQCOP-RVKKMQEKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C[NH+]1CCOCC1 ZINC000929862760 661669850 /nfs/dbraw/zinc/66/98/50/661669850.db2.gz CWATTWDACYQCOP-RVKKMQEKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000929864140 661669792 /nfs/dbraw/zinc/66/97/92/661669792.db2.gz VDFATUNZLIUKSF-HNNXBMFYSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000929864140 661669789 /nfs/dbraw/zinc/66/97/89/661669789.db2.gz VDFATUNZLIUKSF-HNNXBMFYSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000929864141 661669750 /nfs/dbraw/zinc/66/97/50/661669750.db2.gz VDFATUNZLIUKSF-OAHLLOKOSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000929864141 661669749 /nfs/dbraw/zinc/66/97/49/661669749.db2.gz VDFATUNZLIUKSF-OAHLLOKOSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000929865517 661670097 /nfs/dbraw/zinc/67/00/97/661670097.db2.gz FYEYKOGIKUZDIZ-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000929865518 661670241 /nfs/dbraw/zinc/67/02/41/661670241.db2.gz FYEYKOGIKUZDIZ-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929868026 661670089 /nfs/dbraw/zinc/67/00/89/661670089.db2.gz SLOUDIIXYVHXFS-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929868026 661670088 /nfs/dbraw/zinc/67/00/88/661670088.db2.gz SLOUDIIXYVHXFS-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929868026 661670087 /nfs/dbraw/zinc/67/00/87/661670087.db2.gz SLOUDIIXYVHXFS-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929868028 661670135 /nfs/dbraw/zinc/67/01/35/661670135.db2.gz SLOUDIIXYVHXFS-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929868028 661670133 /nfs/dbraw/zinc/67/01/33/661670133.db2.gz SLOUDIIXYVHXFS-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929868028 661670130 /nfs/dbraw/zinc/67/01/30/661670130.db2.gz SLOUDIIXYVHXFS-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929868030 661670273 /nfs/dbraw/zinc/67/02/73/661670273.db2.gz SLOUDIIXYVHXFS-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929868030 661670271 /nfs/dbraw/zinc/67/02/71/661670271.db2.gz SLOUDIIXYVHXFS-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929868030 661670268 /nfs/dbraw/zinc/67/02/68/661670268.db2.gz SLOUDIIXYVHXFS-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929868032 661670071 /nfs/dbraw/zinc/67/00/71/661670071.db2.gz SLOUDIIXYVHXFS-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929868032 661670070 /nfs/dbraw/zinc/67/00/70/661670070.db2.gz SLOUDIIXYVHXFS-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929868032 661670069 /nfs/dbraw/zinc/67/00/69/661670069.db2.gz SLOUDIIXYVHXFS-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670502 /nfs/dbraw/zinc/67/05/02/661670502.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670501 /nfs/dbraw/zinc/67/05/01/661670501.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 2 1 350.463 -0.624 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670500 /nfs/dbraw/zinc/67/05/00/661670500.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670510 /nfs/dbraw/zinc/67/05/10/661670510.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670508 /nfs/dbraw/zinc/67/05/08/661670508.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 2 1 350.463 -0.624 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670507 /nfs/dbraw/zinc/67/05/07/661670507.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670549 /nfs/dbraw/zinc/67/05/49/661670549.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670548 /nfs/dbraw/zinc/67/05/48/661670548.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 2 1 350.463 -0.624 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670547 /nfs/dbraw/zinc/67/05/47/661670547.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670484 /nfs/dbraw/zinc/67/04/84/661670484.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670483 /nfs/dbraw/zinc/67/04/83/661670483.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 2 1 350.463 -0.624 20 0 FBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670482 /nfs/dbraw/zinc/67/04/82/661670482.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 2 1 350.463 -0.624 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881045 661670652 /nfs/dbraw/zinc/67/06/52/661670652.db2.gz KKTQJKXAPLWPPI-KFWWJZLASA-N 2 1 356.467 -0.951 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881046 661670574 /nfs/dbraw/zinc/67/05/74/661670574.db2.gz KKTQJKXAPLWPPI-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881047 661670493 /nfs/dbraw/zinc/67/04/93/661670493.db2.gz KKTQJKXAPLWPPI-RRFJBIMHSA-N 2 1 356.467 -0.951 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881048 661670629 /nfs/dbraw/zinc/67/06/29/661670629.db2.gz KKTQJKXAPLWPPI-ZNMIVQPWSA-N 2 1 356.467 -0.951 20 0 FBADMP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000929881477 661670496 /nfs/dbraw/zinc/67/04/96/661670496.db2.gz MRQUZOPNZCXIRB-CABCVRRESA-N 2 1 350.463 -0.338 20 0 FBADMP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000929881478 661670623 /nfs/dbraw/zinc/67/06/23/661670623.db2.gz MRQUZOPNZCXIRB-GJZGRUSLSA-N 2 1 350.463 -0.338 20 0 FBADMP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000929881479 661670540 /nfs/dbraw/zinc/67/05/40/661670540.db2.gz MRQUZOPNZCXIRB-HUUCEWRRSA-N 2 1 350.463 -0.338 20 0 FBADMP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000929881480 661670478 /nfs/dbraw/zinc/67/04/78/661670478.db2.gz MRQUZOPNZCXIRB-LSDHHAIUSA-N 2 1 350.463 -0.338 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661671001 /nfs/dbraw/zinc/67/10/01/661671001.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661671000 /nfs/dbraw/zinc/67/10/00/661671000.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661670999 /nfs/dbraw/zinc/67/09/99/661670999.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670947 /nfs/dbraw/zinc/67/09/47/661670947.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670943 /nfs/dbraw/zinc/67/09/43/661670943.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670940 /nfs/dbraw/zinc/67/09/40/661670940.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670809 /nfs/dbraw/zinc/67/08/09/661670809.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670803 /nfs/dbraw/zinc/67/08/03/661670803.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670797 /nfs/dbraw/zinc/67/07/97/661670797.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671033 /nfs/dbraw/zinc/67/10/33/661671033.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671032 /nfs/dbraw/zinc/67/10/32/661671032.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671031 /nfs/dbraw/zinc/67/10/31/661671031.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929894447 661671411 /nfs/dbraw/zinc/67/14/11/661671411.db2.gz JUVOUQZMXWKMAY-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929894447 661671409 /nfs/dbraw/zinc/67/14/09/661671409.db2.gz JUVOUQZMXWKMAY-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929894447 661671408 /nfs/dbraw/zinc/67/14/08/661671408.db2.gz JUVOUQZMXWKMAY-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000929894450 661671457 /nfs/dbraw/zinc/67/14/57/661671457.db2.gz JUVOUQZMXWKMAY-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929894450 661671456 /nfs/dbraw/zinc/67/14/56/661671456.db2.gz JUVOUQZMXWKMAY-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929894450 661671455 /nfs/dbraw/zinc/67/14/55/661671455.db2.gz JUVOUQZMXWKMAY-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929894736 661671559 /nfs/dbraw/zinc/67/15/59/661671559.db2.gz MQSNNHQINGUEKA-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929894736 661671556 /nfs/dbraw/zinc/67/15/56/661671556.db2.gz MQSNNHQINGUEKA-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929894736 661671554 /nfs/dbraw/zinc/67/15/54/661671554.db2.gz MQSNNHQINGUEKA-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929894736 661671550 /nfs/dbraw/zinc/67/15/50/661671550.db2.gz MQSNNHQINGUEKA-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929894742 661671490 /nfs/dbraw/zinc/67/14/90/661671490.db2.gz MQSNNHQINGUEKA-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929894742 661671489 /nfs/dbraw/zinc/67/14/89/661671489.db2.gz MQSNNHQINGUEKA-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929894742 661671487 /nfs/dbraw/zinc/67/14/87/661671487.db2.gz MQSNNHQINGUEKA-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929894742 661671484 /nfs/dbraw/zinc/67/14/84/661671484.db2.gz MQSNNHQINGUEKA-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929894744 661671405 /nfs/dbraw/zinc/67/14/05/661671405.db2.gz MQSNNHQINGUEKA-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929894744 661671404 /nfs/dbraw/zinc/67/14/04/661671404.db2.gz MQSNNHQINGUEKA-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929894744 661671403 /nfs/dbraw/zinc/67/14/03/661671403.db2.gz MQSNNHQINGUEKA-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929894744 661671402 /nfs/dbraw/zinc/67/14/02/661671402.db2.gz MQSNNHQINGUEKA-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929894745 661671522 /nfs/dbraw/zinc/67/15/22/661671522.db2.gz MQSNNHQINGUEKA-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929894745 661671520 /nfs/dbraw/zinc/67/15/20/661671520.db2.gz MQSNNHQINGUEKA-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929894745 661671518 /nfs/dbraw/zinc/67/15/18/661671518.db2.gz MQSNNHQINGUEKA-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929894745 661671516 /nfs/dbraw/zinc/67/15/16/661671516.db2.gz MQSNNHQINGUEKA-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929928955 661671844 /nfs/dbraw/zinc/67/18/44/661671844.db2.gz GXTIQYPUUBSQGP-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929928955 661671843 /nfs/dbraw/zinc/67/18/43/661671843.db2.gz GXTIQYPUUBSQGP-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929928955 661671842 /nfs/dbraw/zinc/67/18/42/661671842.db2.gz GXTIQYPUUBSQGP-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929928957 661671814 /nfs/dbraw/zinc/67/18/14/661671814.db2.gz GXTIQYPUUBSQGP-HRCADAONSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929928957 661671813 /nfs/dbraw/zinc/67/18/13/661671813.db2.gz GXTIQYPUUBSQGP-HRCADAONSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929928957 661671812 /nfs/dbraw/zinc/67/18/12/661671812.db2.gz GXTIQYPUUBSQGP-HRCADAONSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929928958 661671853 /nfs/dbraw/zinc/67/18/53/661671853.db2.gz GXTIQYPUUBSQGP-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929928958 661671852 /nfs/dbraw/zinc/67/18/52/661671852.db2.gz GXTIQYPUUBSQGP-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929928958 661671851 /nfs/dbraw/zinc/67/18/51/661671851.db2.gz GXTIQYPUUBSQGP-JYJNAYRXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929928960 661671860 /nfs/dbraw/zinc/67/18/60/661671860.db2.gz GXTIQYPUUBSQGP-XHSDSOJGSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929928960 661671859 /nfs/dbraw/zinc/67/18/59/661671859.db2.gz GXTIQYPUUBSQGP-XHSDSOJGSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929928960 661671858 /nfs/dbraw/zinc/67/18/58/661671858.db2.gz GXTIQYPUUBSQGP-XHSDSOJGSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CC1 ZINC000929932877 661672256 /nfs/dbraw/zinc/67/22/56/661672256.db2.gz AXPHKKYRUOWISP-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1CC1 ZINC000929932877 661672255 /nfs/dbraw/zinc/67/22/55/661672255.db2.gz AXPHKKYRUOWISP-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929932877 661672254 /nfs/dbraw/zinc/67/22/54/661672254.db2.gz AXPHKKYRUOWISP-INIZCTEOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CC1 ZINC000929932880 661672275 /nfs/dbraw/zinc/67/22/75/661672275.db2.gz AXPHKKYRUOWISP-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CC1 ZINC000929932880 661672274 /nfs/dbraw/zinc/67/22/74/661672274.db2.gz AXPHKKYRUOWISP-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929932880 661672273 /nfs/dbraw/zinc/67/22/73/661672273.db2.gz AXPHKKYRUOWISP-MRXNPFEDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000929935578 661672246 /nfs/dbraw/zinc/67/22/46/661672246.db2.gz OKZZEAFTJAUQDN-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000929935578 661672245 /nfs/dbraw/zinc/67/22/45/661672245.db2.gz OKZZEAFTJAUQDN-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935578 661672244 /nfs/dbraw/zinc/67/22/44/661672244.db2.gz OKZZEAFTJAUQDN-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000929935582 661672266 /nfs/dbraw/zinc/67/22/66/661672266.db2.gz OKZZEAFTJAUQDN-HOTGVXAUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000929935582 661672265 /nfs/dbraw/zinc/67/22/65/661672265.db2.gz OKZZEAFTJAUQDN-HOTGVXAUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935582 661672264 /nfs/dbraw/zinc/67/22/64/661672264.db2.gz OKZZEAFTJAUQDN-HOTGVXAUSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000929935585 661672235 /nfs/dbraw/zinc/67/22/35/661672235.db2.gz OKZZEAFTJAUQDN-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000929935585 661672234 /nfs/dbraw/zinc/67/22/34/661672234.db2.gz OKZZEAFTJAUQDN-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935585 661672232 /nfs/dbraw/zinc/67/22/32/661672232.db2.gz OKZZEAFTJAUQDN-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000929935587 661672131 /nfs/dbraw/zinc/67/21/31/661672131.db2.gz OKZZEAFTJAUQDN-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000929935587 661672128 /nfs/dbraw/zinc/67/21/28/661672128.db2.gz OKZZEAFTJAUQDN-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935587 661672126 /nfs/dbraw/zinc/67/21/26/661672126.db2.gz OKZZEAFTJAUQDN-JKSUJKDBSA-N 2 1 352.479 -0.356 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929947421 661672047 /nfs/dbraw/zinc/67/20/47/661672047.db2.gz FOUUXDUHEHXJEL-HDMKZQKVSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929947421 661672045 /nfs/dbraw/zinc/67/20/45/661672045.db2.gz FOUUXDUHEHXJEL-HDMKZQKVSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929947421 661672042 /nfs/dbraw/zinc/67/20/42/661672042.db2.gz FOUUXDUHEHXJEL-HDMKZQKVSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929947422 661672164 /nfs/dbraw/zinc/67/21/64/661672164.db2.gz FOUUXDUHEHXJEL-RLFYNMQTSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929947422 661672161 /nfs/dbraw/zinc/67/21/61/661672161.db2.gz FOUUXDUHEHXJEL-RLFYNMQTSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929947422 661672158 /nfs/dbraw/zinc/67/21/58/661672158.db2.gz FOUUXDUHEHXJEL-RLFYNMQTSA-N 2 1 352.479 -0.377 20 0 FBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929947684 661672030 /nfs/dbraw/zinc/67/20/30/661672030.db2.gz HABVEIAOQNTDGS-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929947685 661672221 /nfs/dbraw/zinc/67/22/21/661672221.db2.gz HABVEIAOQNTDGS-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[N@@H+](C)C1CC1 ZINC000929958271 661672491 /nfs/dbraw/zinc/67/24/91/661672491.db2.gz DKOCWVKEKFONKI-BBRMVZONSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[N@H+](C)C1CC1 ZINC000929958271 661672488 /nfs/dbraw/zinc/67/24/88/661672488.db2.gz DKOCWVKEKFONKI-BBRMVZONSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958271 661672485 /nfs/dbraw/zinc/67/24/85/661672485.db2.gz DKOCWVKEKFONKI-BBRMVZONSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[N@@H+](C)C1CC1 ZINC000929958272 661672417 /nfs/dbraw/zinc/67/24/17/661672417.db2.gz DKOCWVKEKFONKI-CJNGLKHVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[N@H+](C)C1CC1 ZINC000929958272 661672414 /nfs/dbraw/zinc/67/24/14/661672414.db2.gz DKOCWVKEKFONKI-CJNGLKHVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958272 661672411 /nfs/dbraw/zinc/67/24/11/661672411.db2.gz DKOCWVKEKFONKI-CJNGLKHVSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[N@@H+](C)C1CC1 ZINC000929958273 661672515 /nfs/dbraw/zinc/67/25/15/661672515.db2.gz DKOCWVKEKFONKI-CZUORRHYSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[N@H+](C)C1CC1 ZINC000929958273 661672512 /nfs/dbraw/zinc/67/25/12/661672512.db2.gz DKOCWVKEKFONKI-CZUORRHYSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958273 661672509 /nfs/dbraw/zinc/67/25/09/661672509.db2.gz DKOCWVKEKFONKI-CZUORRHYSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[N@@H+](C)C1CC1 ZINC000929958274 661672587 /nfs/dbraw/zinc/67/25/87/661672587.db2.gz DKOCWVKEKFONKI-XJKSGUPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[N@H+](C)C1CC1 ZINC000929958274 661672585 /nfs/dbraw/zinc/67/25/85/661672585.db2.gz DKOCWVKEKFONKI-XJKSGUPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958274 661672583 /nfs/dbraw/zinc/67/25/83/661672583.db2.gz DKOCWVKEKFONKI-XJKSGUPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+](C)C1CC1 ZINC000929958629 661672615 /nfs/dbraw/zinc/67/26/15/661672615.db2.gz IDSDJNOKXWBNRA-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+](C)C1CC1 ZINC000929958629 661672613 /nfs/dbraw/zinc/67/26/13/661672613.db2.gz IDSDJNOKXWBNRA-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C1CC1 ZINC000929958629 661672611 /nfs/dbraw/zinc/67/26/11/661672611.db2.gz IDSDJNOKXWBNRA-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@@H+](C)C1CC1 ZINC000929958631 661672458 /nfs/dbraw/zinc/67/24/58/661672458.db2.gz IDSDJNOKXWBNRA-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@H+](C)C1CC1 ZINC000929958631 661672455 /nfs/dbraw/zinc/67/24/55/661672455.db2.gz IDSDJNOKXWBNRA-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C1CC1 ZINC000929958631 661672454 /nfs/dbraw/zinc/67/24/54/661672454.db2.gz IDSDJNOKXWBNRA-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+](C)C1CC1 ZINC000929958633 661672572 /nfs/dbraw/zinc/67/25/72/661672572.db2.gz IDSDJNOKXWBNRA-KBMXLJTQSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)[N@H+](C)C1CC1 ZINC000929958633 661672570 /nfs/dbraw/zinc/67/25/70/661672570.db2.gz IDSDJNOKXWBNRA-KBMXLJTQSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C1CC1 ZINC000929958633 661672568 /nfs/dbraw/zinc/67/25/68/661672568.db2.gz IDSDJNOKXWBNRA-KBMXLJTQSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)[N@@H+](C)C1CC1 ZINC000929958635 661672438 /nfs/dbraw/zinc/67/24/38/661672438.db2.gz IDSDJNOKXWBNRA-VNQPRFMTSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)[N@H+](C)C1CC1 ZINC000929958635 661672436 /nfs/dbraw/zinc/67/24/36/661672436.db2.gz IDSDJNOKXWBNRA-VNQPRFMTSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C1CC1 ZINC000929958635 661672433 /nfs/dbraw/zinc/67/24/33/661672433.db2.gz IDSDJNOKXWBNRA-VNQPRFMTSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC000929972391 661672831 /nfs/dbraw/zinc/67/28/31/661672831.db2.gz QOXSODXHAKHVTP-UHFFFAOYSA-N 2 1 372.535 -0.246 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000930087854 661674695 /nfs/dbraw/zinc/67/46/95/661674695.db2.gz YGSIPPXFQLPXNS-CYBMUJFWSA-N 2 1 354.455 -0.815 20 0 FBADMP CCO[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000930087859 661674725 /nfs/dbraw/zinc/67/47/25/661674725.db2.gz YGSIPPXFQLPXNS-ZDUSSCGKSA-N 2 1 354.455 -0.815 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH+]1C ZINC000930149039 661675319 /nfs/dbraw/zinc/67/53/19/661675319.db2.gz XLEBEXHRLGFXLR-FPCVCCKLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH+]1C ZINC000930149039 661675318 /nfs/dbraw/zinc/67/53/18/661675318.db2.gz XLEBEXHRLGFXLR-FPCVCCKLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC[N@H+]1C ZINC000930149039 661675317 /nfs/dbraw/zinc/67/53/17/661675317.db2.gz XLEBEXHRLGFXLR-FPCVCCKLSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH+]1C ZINC000930149040 661675411 /nfs/dbraw/zinc/67/54/11/661675411.db2.gz XLEBEXHRLGFXLR-KLHDSHLOSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH+]1C ZINC000930149040 661675409 /nfs/dbraw/zinc/67/54/09/661675409.db2.gz XLEBEXHRLGFXLR-KLHDSHLOSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC[N@H+]1C ZINC000930149040 661675407 /nfs/dbraw/zinc/67/54/07/661675407.db2.gz XLEBEXHRLGFXLR-KLHDSHLOSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH+]1C ZINC000930149041 661675287 /nfs/dbraw/zinc/67/52/87/661675287.db2.gz XLEBEXHRLGFXLR-LVQVYYBASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH+]1C ZINC000930149041 661675283 /nfs/dbraw/zinc/67/52/83/661675283.db2.gz XLEBEXHRLGFXLR-LVQVYYBASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC[N@H+]1C ZINC000930149041 661675282 /nfs/dbraw/zinc/67/52/82/661675282.db2.gz XLEBEXHRLGFXLR-LVQVYYBASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH+]1C ZINC000930149042 661675207 /nfs/dbraw/zinc/67/52/07/661675207.db2.gz XLEBEXHRLGFXLR-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH+]1C ZINC000930149042 661675203 /nfs/dbraw/zinc/67/52/03/661675203.db2.gz XLEBEXHRLGFXLR-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC[N@H+]1C ZINC000930149042 661675200 /nfs/dbraw/zinc/67/52/00/661675200.db2.gz XLEBEXHRLGFXLR-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000930291125 661677168 /nfs/dbraw/zinc/67/71/68/661677168.db2.gz QDTWVSKTJNURCD-BZUAXINKSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000930291125 661677166 /nfs/dbraw/zinc/67/71/66/661677166.db2.gz QDTWVSKTJNURCD-BZUAXINKSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000930291126 661677189 /nfs/dbraw/zinc/67/71/89/661677189.db2.gz QDTWVSKTJNURCD-OAGGEKHMSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000930291126 661677186 /nfs/dbraw/zinc/67/71/86/661677186.db2.gz QDTWVSKTJNURCD-OAGGEKHMSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000930291127 661677131 /nfs/dbraw/zinc/67/71/31/661677131.db2.gz QDTWVSKTJNURCD-OWCLPIDISA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000930291127 661677129 /nfs/dbraw/zinc/67/71/29/661677129.db2.gz QDTWVSKTJNURCD-OWCLPIDISA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000930291128 661677162 /nfs/dbraw/zinc/67/71/62/661677162.db2.gz QDTWVSKTJNURCD-PMPSAXMXSA-N 2 1 352.479 -0.309 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000930291128 661677160 /nfs/dbraw/zinc/67/71/60/661677160.db2.gz QDTWVSKTJNURCD-PMPSAXMXSA-N 2 1 352.479 -0.309 20 0 FBADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930468216 661678671 /nfs/dbraw/zinc/67/86/71/661678671.db2.gz YKJLXKQBPKFBMH-KRWDZBQOSA-N 2 1 360.495 -0.052 20 0 FBADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930468217 661678776 /nfs/dbraw/zinc/67/87/76/661678776.db2.gz YKJLXKQBPKFBMH-QGZVFWFLSA-N 2 1 360.495 -0.052 20 0 FBADMP COC1(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CS(=O)(=O)C1 ZINC000930527210 661679964 /nfs/dbraw/zinc/67/99/64/661679964.db2.gz WRMADYMUIJRIFB-UHFFFAOYSA-N 2 1 354.432 -0.415 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930756423 661682010 /nfs/dbraw/zinc/68/20/10/661682010.db2.gz XGYBFFZGQBHXLR-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930756424 661681979 /nfs/dbraw/zinc/68/19/79/661681979.db2.gz XGYBFFZGQBHXLR-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930756425 661681908 /nfs/dbraw/zinc/68/19/08/661681908.db2.gz XGYBFFZGQBHXLR-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930756426 661681846 /nfs/dbraw/zinc/68/18/46/661681846.db2.gz XGYBFFZGQBHXLR-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000930947835 661683789 /nfs/dbraw/zinc/68/37/89/661683789.db2.gz FCHAJFNJBGLXGI-FZKCQIBNSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000930947840 661683776 /nfs/dbraw/zinc/68/37/76/661683776.db2.gz FCHAJFNJBGLXGI-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000930947841 661683842 /nfs/dbraw/zinc/68/38/42/661683842.db2.gz FCHAJFNJBGLXGI-QXSJWSMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000930947842 661683795 /nfs/dbraw/zinc/68/37/95/661683795.db2.gz FCHAJFNJBGLXGI-XUWVNRHRSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1COCCO1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000930996147 661684311 /nfs/dbraw/zinc/68/43/11/661684311.db2.gz LCBMDMNYUMWCME-BZUAXINKSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1COCCO1)[N@H+](C)C[C@@H]1COCCO1 ZINC000930996147 661684309 /nfs/dbraw/zinc/68/43/09/661684309.db2.gz LCBMDMNYUMWCME-BZUAXINKSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1COCCO1)[NH+](C)C[C@@H]1COCCO1 ZINC000930996147 661684305 /nfs/dbraw/zinc/68/43/05/661684305.db2.gz LCBMDMNYUMWCME-BZUAXINKSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@H+](C)C[C@@H]1COCCO1)[NH+](C)C[C@@H]1COCCO1 ZINC000930996147 661684303 /nfs/dbraw/zinc/68/43/03/661684303.db2.gz LCBMDMNYUMWCME-BZUAXINKSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1COCCO1)[N@@H+](C)C[C@H]1COCCO1 ZINC000930996148 661684589 /nfs/dbraw/zinc/68/45/89/661684589.db2.gz LCBMDMNYUMWCME-OAGGEKHMSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1COCCO1)[N@H+](C)C[C@H]1COCCO1 ZINC000930996148 661684586 /nfs/dbraw/zinc/68/45/86/661684586.db2.gz LCBMDMNYUMWCME-OAGGEKHMSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1COCCO1)[NH+](C)C[C@H]1COCCO1 ZINC000930996148 661684580 /nfs/dbraw/zinc/68/45/80/661684580.db2.gz LCBMDMNYUMWCME-OAGGEKHMSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@H+](C)C[C@@H]1COCCO1)[NH+](C)C[C@H]1COCCO1 ZINC000930996148 661684576 /nfs/dbraw/zinc/68/45/76/661684576.db2.gz LCBMDMNYUMWCME-OAGGEKHMSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H]1COCCO1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000930996149 661684430 /nfs/dbraw/zinc/68/44/30/661684430.db2.gz LCBMDMNYUMWCME-OWCLPIDISA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H]1COCCO1)[N@H+](C)C[C@@H]1COCCO1 ZINC000930996149 661684425 /nfs/dbraw/zinc/68/44/25/661684425.db2.gz LCBMDMNYUMWCME-OWCLPIDISA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@@H+](C)C[C@H]1COCCO1)[NH+](C)C[C@@H]1COCCO1 ZINC000930996149 661684424 /nfs/dbraw/zinc/68/44/24/661684424.db2.gz LCBMDMNYUMWCME-OWCLPIDISA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@H+](C)C[C@H]1COCCO1)[NH+](C)C[C@@H]1COCCO1 ZINC000930996149 661684422 /nfs/dbraw/zinc/68/44/22/661684422.db2.gz LCBMDMNYUMWCME-OWCLPIDISA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H]1COCCO1)[N@@H+](C)C[C@H]1COCCO1 ZINC000930996150 661684377 /nfs/dbraw/zinc/68/43/77/661684377.db2.gz LCBMDMNYUMWCME-PMPSAXMXSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H]1COCCO1)[N@H+](C)C[C@H]1COCCO1 ZINC000930996150 661684372 /nfs/dbraw/zinc/68/43/72/661684372.db2.gz LCBMDMNYUMWCME-PMPSAXMXSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@@H+](C)C[C@H]1COCCO1)[NH+](C)C[C@H]1COCCO1 ZINC000930996150 661684370 /nfs/dbraw/zinc/68/43/70/661684370.db2.gz LCBMDMNYUMWCME-PMPSAXMXSA-N 2 1 359.467 -0.815 20 0 FBADMP C[C@H](CNC(=O)C[N@H+](C)C[C@H]1COCCO1)[NH+](C)C[C@H]1COCCO1 ZINC000930996150 661684368 /nfs/dbraw/zinc/68/43/68/661684368.db2.gz LCBMDMNYUMWCME-PMPSAXMXSA-N 2 1 359.467 -0.815 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000931017046 661685150 /nfs/dbraw/zinc/68/51/50/661685150.db2.gz BUQGPCFQEVDMDD-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000931017046 661685148 /nfs/dbraw/zinc/68/51/48/661685148.db2.gz BUQGPCFQEVDMDD-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000931017046 661685147 /nfs/dbraw/zinc/68/51/47/661685147.db2.gz BUQGPCFQEVDMDD-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000931017047 661685102 /nfs/dbraw/zinc/68/51/02/661685102.db2.gz BUQGPCFQEVDMDD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000931017047 661685101 /nfs/dbraw/zinc/68/51/01/661685101.db2.gz BUQGPCFQEVDMDD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000931017047 661685100 /nfs/dbraw/zinc/68/51/00/661685100.db2.gz BUQGPCFQEVDMDD-HRCADAONSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000931017048 661685231 /nfs/dbraw/zinc/68/52/31/661685231.db2.gz BUQGPCFQEVDMDD-JYJNAYRXSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000931017048 661685230 /nfs/dbraw/zinc/68/52/30/661685230.db2.gz BUQGPCFQEVDMDD-JYJNAYRXSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000931017048 661685227 /nfs/dbraw/zinc/68/52/27/661685227.db2.gz BUQGPCFQEVDMDD-JYJNAYRXSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000931017049 661685118 /nfs/dbraw/zinc/68/51/18/661685118.db2.gz BUQGPCFQEVDMDD-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000931017049 661685117 /nfs/dbraw/zinc/68/51/17/661685117.db2.gz BUQGPCFQEVDMDD-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000931017049 661685116 /nfs/dbraw/zinc/68/51/16/661685116.db2.gz BUQGPCFQEVDMDD-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000931018824 661685200 /nfs/dbraw/zinc/68/52/00/661685200.db2.gz QYIZDIWLHGOPNY-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000931018824 661685196 /nfs/dbraw/zinc/68/51/96/661685196.db2.gz QYIZDIWLHGOPNY-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018824 661685194 /nfs/dbraw/zinc/68/51/94/661685194.db2.gz QYIZDIWLHGOPNY-GDBMZVCRSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000931018828 661685124 /nfs/dbraw/zinc/68/51/24/661685124.db2.gz QYIZDIWLHGOPNY-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000931018828 661685123 /nfs/dbraw/zinc/68/51/23/661685123.db2.gz QYIZDIWLHGOPNY-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018828 661685122 /nfs/dbraw/zinc/68/51/22/661685122.db2.gz QYIZDIWLHGOPNY-GOEBONIOSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000931018829 661685247 /nfs/dbraw/zinc/68/52/47/661685247.db2.gz QYIZDIWLHGOPNY-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000931018829 661685244 /nfs/dbraw/zinc/68/52/44/661685244.db2.gz QYIZDIWLHGOPNY-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018829 661685242 /nfs/dbraw/zinc/68/52/42/661685242.db2.gz QYIZDIWLHGOPNY-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000931018831 661685112 /nfs/dbraw/zinc/68/51/12/661685112.db2.gz QYIZDIWLHGOPNY-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000931018831 661685111 /nfs/dbraw/zinc/68/51/11/661685111.db2.gz QYIZDIWLHGOPNY-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018831 661685110 /nfs/dbraw/zinc/68/51/10/661685110.db2.gz QYIZDIWLHGOPNY-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1(OC)CS(=O)(=O)C1 ZINC000931396652 661689611 /nfs/dbraw/zinc/68/96/11/661689611.db2.gz DXDGMDASFALKHW-AWEZNQCLSA-N 2 1 361.508 -0.326 20 0 FBADMP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1(OC)CS(=O)(=O)C1 ZINC000931396652 661689610 /nfs/dbraw/zinc/68/96/10/661689610.db2.gz DXDGMDASFALKHW-AWEZNQCLSA-N 2 1 361.508 -0.326 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1(OC)CS(=O)(=O)C1 ZINC000931396653 661689292 /nfs/dbraw/zinc/68/92/92/661689292.db2.gz DXDGMDASFALKHW-CQSZACIVSA-N 2 1 361.508 -0.326 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1(OC)CS(=O)(=O)C1 ZINC000931396653 661689290 /nfs/dbraw/zinc/68/92/90/661689290.db2.gz DXDGMDASFALKHW-CQSZACIVSA-N 2 1 361.508 -0.326 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@H+]2CCN(C)[C@H](CO)C2)C[C@@H]1CO ZINC000931400918 661689231 /nfs/dbraw/zinc/68/92/31/661689231.db2.gz WLKWYKMWXJGCQE-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CCN(C)[C@H](CO)C2)C[C@@H]1CO ZINC000931400918 661689229 /nfs/dbraw/zinc/68/92/29/661689229.db2.gz WLKWYKMWXJGCQE-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CCN(C)[C@H](CO)C2)C[C@@H]1CO ZINC000931400918 661689228 /nfs/dbraw/zinc/68/92/28/661689228.db2.gz WLKWYKMWXJGCQE-HDICACEKSA-N 2 1 372.630 -0.089 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000931432232 661690327 /nfs/dbraw/zinc/69/03/27/661690327.db2.gz ZCXWATJVNUYNOI-JKSUJKDBSA-N 2 1 351.495 -0.898 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000931432232 661690326 /nfs/dbraw/zinc/69/03/26/661690326.db2.gz ZCXWATJVNUYNOI-JKSUJKDBSA-N 2 1 351.495 -0.898 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931432232 661690325 /nfs/dbraw/zinc/69/03/25/661690325.db2.gz ZCXWATJVNUYNOI-JKSUJKDBSA-N 2 1 351.495 -0.898 20 0 FBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931432232 661690324 /nfs/dbraw/zinc/69/03/24/661690324.db2.gz ZCXWATJVNUYNOI-JKSUJKDBSA-N 2 1 351.495 -0.898 20 0 FBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000931483291 661690699 /nfs/dbraw/zinc/69/06/99/661690699.db2.gz FZMDYVKDPJZUSJ-UHFFFAOYSA-N 2 1 356.511 -0.398 20 0 FBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746883 661693598 /nfs/dbraw/zinc/69/35/98/661693598.db2.gz RZENKGYTAQACRB-OIMRXFJVSA-N 2 1 351.491 -0.104 20 0 FBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746883 661693596 /nfs/dbraw/zinc/69/35/96/661693596.db2.gz RZENKGYTAQACRB-OIMRXFJVSA-N 2 1 351.491 -0.104 20 0 FBADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746883 661693595 /nfs/dbraw/zinc/69/35/95/661693595.db2.gz RZENKGYTAQACRB-OIMRXFJVSA-N 2 1 351.491 -0.104 20 0 FBADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746884 661693574 /nfs/dbraw/zinc/69/35/74/661693574.db2.gz RZENKGYTAQACRB-VCWNUMGPSA-N 2 1 351.491 -0.104 20 0 FBADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746884 661693573 /nfs/dbraw/zinc/69/35/73/661693573.db2.gz RZENKGYTAQACRB-VCWNUMGPSA-N 2 1 351.491 -0.104 20 0 FBADMP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746884 661693571 /nfs/dbraw/zinc/69/35/71/661693571.db2.gz RZENKGYTAQACRB-VCWNUMGPSA-N 2 1 351.491 -0.104 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931815465 661693955 /nfs/dbraw/zinc/69/39/55/661693955.db2.gz NIBDHZYTFJRDDY-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931815465 661693954 /nfs/dbraw/zinc/69/39/54/661693954.db2.gz NIBDHZYTFJRDDY-CABCVRRESA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931815467 661694113 /nfs/dbraw/zinc/69/41/13/661694113.db2.gz NIBDHZYTFJRDDY-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931815467 661694111 /nfs/dbraw/zinc/69/41/11/661694111.db2.gz NIBDHZYTFJRDDY-GJZGRUSLSA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931815470 661694036 /nfs/dbraw/zinc/69/40/36/661694036.db2.gz NIBDHZYTFJRDDY-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931815470 661694033 /nfs/dbraw/zinc/69/40/33/661694033.db2.gz NIBDHZYTFJRDDY-HUUCEWRRSA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931815473 661694086 /nfs/dbraw/zinc/69/40/86/661694086.db2.gz NIBDHZYTFJRDDY-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931815473 661694083 /nfs/dbraw/zinc/69/40/83/661694083.db2.gz NIBDHZYTFJRDDY-LSDHHAIUSA-N 2 1 372.535 -0.281 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C[NH+](C)C ZINC000931822194 661696053 /nfs/dbraw/zinc/69/60/53/661696053.db2.gz HRCQIKWTUBZAJG-ILXRZTDVSA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C[NH+](C)C ZINC000931822194 661696051 /nfs/dbraw/zinc/69/60/51/661696051.db2.gz HRCQIKWTUBZAJG-ILXRZTDVSA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C[NH+](C)C ZINC000931822195 661696172 /nfs/dbraw/zinc/69/61/72/661696172.db2.gz HRCQIKWTUBZAJG-KFWWJZLASA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C[NH+](C)C ZINC000931822195 661696171 /nfs/dbraw/zinc/69/61/71/661696171.db2.gz HRCQIKWTUBZAJG-KFWWJZLASA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C[NH+](C)C ZINC000931822196 661696264 /nfs/dbraw/zinc/69/62/64/661696264.db2.gz HRCQIKWTUBZAJG-QLFBSQMISA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C[NH+](C)C ZINC000931822196 661696262 /nfs/dbraw/zinc/69/62/62/661696262.db2.gz HRCQIKWTUBZAJG-QLFBSQMISA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C[NH+](C)C ZINC000931822197 661696111 /nfs/dbraw/zinc/69/61/11/661696111.db2.gz HRCQIKWTUBZAJG-RBSFLKMASA-N 2 1 372.535 -0.235 20 0 FBADMP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C[NH+](C)C ZINC000931822197 661696110 /nfs/dbraw/zinc/69/61/10/661696110.db2.gz HRCQIKWTUBZAJG-RBSFLKMASA-N 2 1 372.535 -0.235 20 0 FBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000931876740 661698376 /nfs/dbraw/zinc/69/83/76/661698376.db2.gz ATRDCGXFZIPXJP-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000931876740 661698374 /nfs/dbraw/zinc/69/83/74/661698374.db2.gz ATRDCGXFZIPXJP-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000931876741 661698713 /nfs/dbraw/zinc/69/87/13/661698713.db2.gz ATRDCGXFZIPXJP-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000931876741 661698708 /nfs/dbraw/zinc/69/87/08/661698708.db2.gz ATRDCGXFZIPXJP-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000931881831 661698982 /nfs/dbraw/zinc/69/89/82/661698982.db2.gz HXWYQDYYLDCHFZ-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000931881831 661698981 /nfs/dbraw/zinc/69/89/81/661698981.db2.gz HXWYQDYYLDCHFZ-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000931881832 661698911 /nfs/dbraw/zinc/69/89/11/661698911.db2.gz HXWYQDYYLDCHFZ-OAGGEKHMSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000931881832 661698907 /nfs/dbraw/zinc/69/89/07/661698907.db2.gz HXWYQDYYLDCHFZ-OAGGEKHMSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000931881833 661698767 /nfs/dbraw/zinc/69/87/67/661698767.db2.gz HXWYQDYYLDCHFZ-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000931881833 661698765 /nfs/dbraw/zinc/69/87/65/661698765.db2.gz HXWYQDYYLDCHFZ-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000931881834 661698651 /nfs/dbraw/zinc/69/86/51/661698651.db2.gz HXWYQDYYLDCHFZ-PMPSAXMXSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000931881834 661698648 /nfs/dbraw/zinc/69/86/48/661698648.db2.gz HXWYQDYYLDCHFZ-PMPSAXMXSA-N 2 1 351.495 -0.709 20 0 FBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000931886267 661698921 /nfs/dbraw/zinc/69/89/21/661698921.db2.gz OJHJZQWFHKMCNK-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000931886267 661698919 /nfs/dbraw/zinc/69/89/19/661698919.db2.gz OJHJZQWFHKMCNK-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000931886269 661699011 /nfs/dbraw/zinc/69/90/11/661699011.db2.gz OJHJZQWFHKMCNK-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000931886269 661699008 /nfs/dbraw/zinc/69/90/08/661699008.db2.gz OJHJZQWFHKMCNK-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CC2)CC1 ZINC000931886558 661698687 /nfs/dbraw/zinc/69/86/87/661698687.db2.gz USJKHQIUYLLZMA-INIZCTEOSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)CC1 ZINC000931886558 661698685 /nfs/dbraw/zinc/69/86/85/661698685.db2.gz USJKHQIUYLLZMA-INIZCTEOSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)CC2)CC1 ZINC000931886560 661698676 /nfs/dbraw/zinc/69/86/76/661698676.db2.gz USJKHQIUYLLZMA-MRXNPFEDSA-N 2 1 351.495 -0.707 20 0 FBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CC2)CC1 ZINC000931886560 661698674 /nfs/dbraw/zinc/69/86/74/661698674.db2.gz USJKHQIUYLLZMA-MRXNPFEDSA-N 2 1 351.495 -0.707 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931888472 661699324 /nfs/dbraw/zinc/69/93/24/661699324.db2.gz LBSRITNSEGYWFQ-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931888472 661699321 /nfs/dbraw/zinc/69/93/21/661699321.db2.gz LBSRITNSEGYWFQ-HNNXBMFYSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931888473 661699187 /nfs/dbraw/zinc/69/91/87/661699187.db2.gz LBSRITNSEGYWFQ-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931888473 661699183 /nfs/dbraw/zinc/69/91/83/661699183.db2.gz LBSRITNSEGYWFQ-OAHLLOKOSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932954777 661713863 /nfs/dbraw/zinc/71/38/63/661713863.db2.gz FJUPMIPACCGSRA-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932954778 661713998 /nfs/dbraw/zinc/71/39/98/661713998.db2.gz FJUPMIPACCGSRA-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932955147 661713772 /nfs/dbraw/zinc/71/37/72/661713772.db2.gz HUHHXQQPMCHGKZ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932955148 661714085 /nfs/dbraw/zinc/71/40/85/661714085.db2.gz HUHHXQQPMCHGKZ-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932955149 661713945 /nfs/dbraw/zinc/71/39/45/661713945.db2.gz HUHHXQQPMCHGKZ-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932955150 661713915 /nfs/dbraw/zinc/71/39/15/661713915.db2.gz HUHHXQQPMCHGKZ-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932957137 661713756 /nfs/dbraw/zinc/71/37/56/661713756.db2.gz MXCVYICAUIKJCQ-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932957137 661713752 /nfs/dbraw/zinc/71/37/52/661713752.db2.gz MXCVYICAUIKJCQ-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932957137 661713750 /nfs/dbraw/zinc/71/37/50/661713750.db2.gz MXCVYICAUIKJCQ-INIZCTEOSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932957138 661714075 /nfs/dbraw/zinc/71/40/75/661714075.db2.gz MXCVYICAUIKJCQ-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932957138 661714071 /nfs/dbraw/zinc/71/40/71/661714071.db2.gz MXCVYICAUIKJCQ-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932957138 661714069 /nfs/dbraw/zinc/71/40/69/661714069.db2.gz MXCVYICAUIKJCQ-MRXNPFEDSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000932959137 661714282 /nfs/dbraw/zinc/71/42/82/661714282.db2.gz VMXGCASQWYIHGT-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000932959137 661714280 /nfs/dbraw/zinc/71/42/80/661714280.db2.gz VMXGCASQWYIHGT-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000932959137 661714277 /nfs/dbraw/zinc/71/42/77/661714277.db2.gz VMXGCASQWYIHGT-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000932959138 661714513 /nfs/dbraw/zinc/71/45/13/661714513.db2.gz VMXGCASQWYIHGT-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000932959138 661714510 /nfs/dbraw/zinc/71/45/10/661714510.db2.gz VMXGCASQWYIHGT-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000932959138 661714505 /nfs/dbraw/zinc/71/45/05/661714505.db2.gz VMXGCASQWYIHGT-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932961384 661714761 /nfs/dbraw/zinc/71/47/61/661714761.db2.gz HYURMSFNOAZOMU-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932961384 661714756 /nfs/dbraw/zinc/71/47/56/661714756.db2.gz HYURMSFNOAZOMU-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932961384 661714752 /nfs/dbraw/zinc/71/47/52/661714752.db2.gz HYURMSFNOAZOMU-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932961391 661714964 /nfs/dbraw/zinc/71/49/64/661714964.db2.gz HYURMSFNOAZOMU-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932961391 661714963 /nfs/dbraw/zinc/71/49/63/661714963.db2.gz HYURMSFNOAZOMU-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932961391 661714962 /nfs/dbraw/zinc/71/49/62/661714962.db2.gz HYURMSFNOAZOMU-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932961398 661715050 /nfs/dbraw/zinc/71/50/50/661715050.db2.gz HYURMSFNOAZOMU-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932961398 661715048 /nfs/dbraw/zinc/71/50/48/661715048.db2.gz HYURMSFNOAZOMU-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932961398 661715046 /nfs/dbraw/zinc/71/50/46/661715046.db2.gz HYURMSFNOAZOMU-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932961405 661714820 /nfs/dbraw/zinc/71/48/20/661714820.db2.gz HYURMSFNOAZOMU-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932961405 661714816 /nfs/dbraw/zinc/71/48/16/661714816.db2.gz HYURMSFNOAZOMU-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932961405 661714812 /nfs/dbraw/zinc/71/48/12/661714812.db2.gz HYURMSFNOAZOMU-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932964248 661714798 /nfs/dbraw/zinc/71/47/98/661714798.db2.gz YHDIEUUWKVMLDD-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964248 661714795 /nfs/dbraw/zinc/71/47/95/661714795.db2.gz YHDIEUUWKVMLDD-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932964248 661714792 /nfs/dbraw/zinc/71/47/92/661714792.db2.gz YHDIEUUWKVMLDD-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932964252 661714889 /nfs/dbraw/zinc/71/48/89/661714889.db2.gz YHDIEUUWKVMLDD-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964252 661714885 /nfs/dbraw/zinc/71/48/85/661714885.db2.gz YHDIEUUWKVMLDD-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932964252 661714884 /nfs/dbraw/zinc/71/48/84/661714884.db2.gz YHDIEUUWKVMLDD-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932964256 661714674 /nfs/dbraw/zinc/71/46/74/661714674.db2.gz YHDIEUUWKVMLDD-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964256 661714671 /nfs/dbraw/zinc/71/46/71/661714671.db2.gz YHDIEUUWKVMLDD-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932964256 661714670 /nfs/dbraw/zinc/71/46/70/661714670.db2.gz YHDIEUUWKVMLDD-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932964259 661714978 /nfs/dbraw/zinc/71/49/78/661714978.db2.gz YHDIEUUWKVMLDD-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964259 661714977 /nfs/dbraw/zinc/71/49/77/661714977.db2.gz YHDIEUUWKVMLDD-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932964259 661714974 /nfs/dbraw/zinc/71/49/74/661714974.db2.gz YHDIEUUWKVMLDD-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1(C)C ZINC000932965233 661715388 /nfs/dbraw/zinc/71/53/88/661715388.db2.gz XWWHRCSUCIVXJG-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000932965233 661715384 /nfs/dbraw/zinc/71/53/84/661715384.db2.gz XWWHRCSUCIVXJG-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000932965233 661715382 /nfs/dbraw/zinc/71/53/82/661715382.db2.gz XWWHRCSUCIVXJG-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000932965233 661715379 /nfs/dbraw/zinc/71/53/79/661715379.db2.gz XWWHRCSUCIVXJG-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1(C)C ZINC000932965234 661715329 /nfs/dbraw/zinc/71/53/29/661715329.db2.gz XWWHRCSUCIVXJG-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000932965234 661715327 /nfs/dbraw/zinc/71/53/27/661715327.db2.gz XWWHRCSUCIVXJG-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000932965234 661715324 /nfs/dbraw/zinc/71/53/24/661715324.db2.gz XWWHRCSUCIVXJG-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000932965234 661715322 /nfs/dbraw/zinc/71/53/22/661715322.db2.gz XWWHRCSUCIVXJG-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](C)C1 ZINC000932965666 661715173 /nfs/dbraw/zinc/71/51/73/661715173.db2.gz QECITYNTOBSJPQ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](C)C1 ZINC000932965666 661715170 /nfs/dbraw/zinc/71/51/70/661715170.db2.gz QECITYNTOBSJPQ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000932965666 661715168 /nfs/dbraw/zinc/71/51/68/661715168.db2.gz QECITYNTOBSJPQ-CVEARBPZSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](C)C1 ZINC000932965667 661715405 /nfs/dbraw/zinc/71/54/05/661715405.db2.gz QECITYNTOBSJPQ-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](C)C1 ZINC000932965667 661715401 /nfs/dbraw/zinc/71/54/01/661715401.db2.gz QECITYNTOBSJPQ-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000932965667 661715397 /nfs/dbraw/zinc/71/53/97/661715397.db2.gz QECITYNTOBSJPQ-HOTGVXAUSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](C)C1 ZINC000932965668 661715289 /nfs/dbraw/zinc/71/52/89/661715289.db2.gz QECITYNTOBSJPQ-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](C)C1 ZINC000932965668 661715286 /nfs/dbraw/zinc/71/52/86/661715286.db2.gz QECITYNTOBSJPQ-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000932965668 661715285 /nfs/dbraw/zinc/71/52/85/661715285.db2.gz QECITYNTOBSJPQ-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](C)C1 ZINC000932965669 661715431 /nfs/dbraw/zinc/71/54/31/661715431.db2.gz QECITYNTOBSJPQ-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](C)C1 ZINC000932965669 661715428 /nfs/dbraw/zinc/71/54/28/661715428.db2.gz QECITYNTOBSJPQ-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000932965669 661715425 /nfs/dbraw/zinc/71/54/25/661715425.db2.gz QECITYNTOBSJPQ-JKSUJKDBSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000933699476 661720288 /nfs/dbraw/zinc/72/02/88/661720288.db2.gz MUNQRDAQIGXGIV-KGLIPLIRSA-N 2 1 360.524 -0.168 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933846473 661721332 /nfs/dbraw/zinc/72/13/32/661721332.db2.gz KEXHCCWDEKOGCI-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933846473 661721330 /nfs/dbraw/zinc/72/13/30/661721330.db2.gz KEXHCCWDEKOGCI-UHFFFAOYSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933849737 661721382 /nfs/dbraw/zinc/72/13/82/661721382.db2.gz XTDUITIECLEXAH-UHFFFAOYSA-N 3 1 355.527 -0.214 20 0 FBADMP C(CN1CCO[C@@H]2COCC[C@@H]21)OCCN1CCO[C@@H]2COCC[C@@H]21 ZINC000933967964 661722799 /nfs/dbraw/zinc/72/27/99/661722799.db2.gz WPVSTTAJMPGYDY-WNRNVDISSA-N 2 1 356.463 -0.018 20 0 FBADMP C(CN1CCO[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967964 661722797 /nfs/dbraw/zinc/72/27/97/661722797.db2.gz WPVSTTAJMPGYDY-WNRNVDISSA-N 2 1 356.463 -0.018 20 0 FBADMP C[NH+](C)CCN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000934231330 661723261 /nfs/dbraw/zinc/72/32/61/661723261.db2.gz PZHMHKSKLBATGZ-AWEZNQCLSA-N 2 1 361.508 -0.326 20 0 FBADMP C[NH+](C)CCN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000934231331 661723200 /nfs/dbraw/zinc/72/32/00/661723200.db2.gz PZHMHKSKLBATGZ-CQSZACIVSA-N 2 1 361.508 -0.326 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000934894485 661725455 /nfs/dbraw/zinc/72/54/55/661725455.db2.gz DBTGDRHSJOVTCY-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000934894486 661725412 /nfs/dbraw/zinc/72/54/12/661725412.db2.gz DBTGDRHSJOVTCY-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000938036528 659953822 /nfs/dbraw/zinc/95/38/22/659953822.db2.gz MWRLOFHAKPNISA-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000938036528 659953819 /nfs/dbraw/zinc/95/38/19/659953819.db2.gz MWRLOFHAKPNISA-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000938182176 659988585 /nfs/dbraw/zinc/98/85/85/659988585.db2.gz DTACILLRALETOV-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000938182176 659988582 /nfs/dbraw/zinc/98/85/82/659988582.db2.gz DTACILLRALETOV-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938182176 659988581 /nfs/dbraw/zinc/98/85/81/659988581.db2.gz DTACILLRALETOV-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938182176 659988579 /nfs/dbraw/zinc/98/85/79/659988579.db2.gz DTACILLRALETOV-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938182352 659988708 /nfs/dbraw/zinc/98/87/08/659988708.db2.gz GLLSOCWVEHBYKD-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938182352 659988706 /nfs/dbraw/zinc/98/87/06/659988706.db2.gz GLLSOCWVEHBYKD-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000938182683 659988893 /nfs/dbraw/zinc/98/88/93/659988893.db2.gz OTMAGENREDKBRS-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000938182683 659988892 /nfs/dbraw/zinc/98/88/92/659988892.db2.gz OTMAGENREDKBRS-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000938182683 659988891 /nfs/dbraw/zinc/98/88/91/659988891.db2.gz OTMAGENREDKBRS-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000938182683 659988890 /nfs/dbraw/zinc/98/88/90/659988890.db2.gz OTMAGENREDKBRS-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938183466 659988737 /nfs/dbraw/zinc/98/87/37/659988737.db2.gz HTAPCWARPQXTMF-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938183466 659988735 /nfs/dbraw/zinc/98/87/35/659988735.db2.gz HTAPCWARPQXTMF-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000938183605 659988819 /nfs/dbraw/zinc/98/88/19/659988819.db2.gz LFCIQYXUZJSCLD-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000938183605 659988817 /nfs/dbraw/zinc/98/88/17/659988817.db2.gz LFCIQYXUZJSCLD-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938195270 660000996 /nfs/dbraw/zinc/00/09/96/660000996.db2.gz BJWZNGPUONDYAL-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938195270 660000994 /nfs/dbraw/zinc/00/09/94/660000994.db2.gz BJWZNGPUONDYAL-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000938320519 660217677 /nfs/dbraw/zinc/21/76/77/660217677.db2.gz HSFKEMCNIKWFKU-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000938320519 660217676 /nfs/dbraw/zinc/21/76/76/660217676.db2.gz HSFKEMCNIKWFKU-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000938465868 660219068 /nfs/dbraw/zinc/21/90/68/660219068.db2.gz LPHMIHWTSIWMFH-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000938465868 660219067 /nfs/dbraw/zinc/21/90/67/660219067.db2.gz LPHMIHWTSIWMFH-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000938465868 660219066 /nfs/dbraw/zinc/21/90/66/660219066.db2.gz LPHMIHWTSIWMFH-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000938465868 660219065 /nfs/dbraw/zinc/21/90/65/660219065.db2.gz LPHMIHWTSIWMFH-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938549425 660219746 /nfs/dbraw/zinc/21/97/46/660219746.db2.gz QHEMFWHTRXXCEA-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938549425 660219745 /nfs/dbraw/zinc/21/97/45/660219745.db2.gz QHEMFWHTRXXCEA-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938549426 660219767 /nfs/dbraw/zinc/21/97/67/660219767.db2.gz QHEMFWHTRXXCEA-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938549426 660219766 /nfs/dbraw/zinc/21/97/66/660219766.db2.gz QHEMFWHTRXXCEA-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938766827 660222660 /nfs/dbraw/zinc/22/26/60/660222660.db2.gz IQJGDYFIUSXPPM-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938766827 660222659 /nfs/dbraw/zinc/22/26/59/660222659.db2.gz IQJGDYFIUSXPPM-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938766828 660222595 /nfs/dbraw/zinc/22/25/95/660222595.db2.gz IQJGDYFIUSXPPM-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000938766828 660222594 /nfs/dbraw/zinc/22/25/94/660222594.db2.gz IQJGDYFIUSXPPM-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880031 660235280 /nfs/dbraw/zinc/23/52/80/660235280.db2.gz AZFZUTOVPJJDFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880031 660235279 /nfs/dbraw/zinc/23/52/79/660235279.db2.gz AZFZUTOVPJJDFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880032 660235261 /nfs/dbraw/zinc/23/52/61/660235261.db2.gz AZFZUTOVPJJDFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880032 660235258 /nfs/dbraw/zinc/23/52/58/660235258.db2.gz AZFZUTOVPJJDFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596997 660241493 /nfs/dbraw/zinc/24/14/93/660241493.db2.gz YADKXAFAQYSCSG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596997 660241492 /nfs/dbraw/zinc/24/14/92/660241492.db2.gz YADKXAFAQYSCSG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000940596997 660241491 /nfs/dbraw/zinc/24/14/91/660241491.db2.gz YADKXAFAQYSCSG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000940596997 660241489 /nfs/dbraw/zinc/24/14/89/660241489.db2.gz YADKXAFAQYSCSG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596998 660241575 /nfs/dbraw/zinc/24/15/75/660241575.db2.gz YADKXAFAQYSCSG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596998 660241572 /nfs/dbraw/zinc/24/15/72/660241572.db2.gz YADKXAFAQYSCSG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000940596998 660241570 /nfs/dbraw/zinc/24/15/70/660241570.db2.gz YADKXAFAQYSCSG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000940596998 660241568 /nfs/dbraw/zinc/24/15/68/660241568.db2.gz YADKXAFAQYSCSG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000940755388 660242447 /nfs/dbraw/zinc/24/24/47/660242447.db2.gz MWRLOFHAKPNISA-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000940755388 660242444 /nfs/dbraw/zinc/24/24/44/660242444.db2.gz MWRLOFHAKPNISA-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000941102580 660246633 /nfs/dbraw/zinc/24/66/33/660246633.db2.gz AOIKMURKPSQEDS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000941102580 660246631 /nfs/dbraw/zinc/24/66/31/660246631.db2.gz AOIKMURKPSQEDS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000941102580 660246630 /nfs/dbraw/zinc/24/66/30/660246630.db2.gz AOIKMURKPSQEDS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000941102580 660246628 /nfs/dbraw/zinc/24/66/28/660246628.db2.gz AOIKMURKPSQEDS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000941102581 660246673 /nfs/dbraw/zinc/24/66/73/660246673.db2.gz AOIKMURKPSQEDS-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000941102581 660246672 /nfs/dbraw/zinc/24/66/72/660246672.db2.gz AOIKMURKPSQEDS-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000941102581 660246671 /nfs/dbraw/zinc/24/66/71/660246671.db2.gz AOIKMURKPSQEDS-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000941102581 660246670 /nfs/dbraw/zinc/24/66/70/660246670.db2.gz AOIKMURKPSQEDS-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000941112552 660248395 /nfs/dbraw/zinc/24/83/95/660248395.db2.gz MKMBTUSITXZUJD-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000941112552 660248391 /nfs/dbraw/zinc/24/83/91/660248391.db2.gz MKMBTUSITXZUJD-HZPDHXFCSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000941273485 660256073 /nfs/dbraw/zinc/25/60/73/660256073.db2.gz GLLSOCWVEHBYKD-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000941273485 660256072 /nfs/dbraw/zinc/25/60/72/660256072.db2.gz GLLSOCWVEHBYKD-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000941273508 660256084 /nfs/dbraw/zinc/25/60/84/660256084.db2.gz HTAPCWARPQXTMF-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000941273508 660256083 /nfs/dbraw/zinc/25/60/83/660256083.db2.gz HTAPCWARPQXTMF-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000941273684 660256019 /nfs/dbraw/zinc/25/60/19/660256019.db2.gz LFCIQYXUZJSCLD-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000941273684 660256017 /nfs/dbraw/zinc/25/60/17/660256017.db2.gz LFCIQYXUZJSCLD-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000941278173 660254646 /nfs/dbraw/zinc/25/46/46/660254646.db2.gz DTACILLRALETOV-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000941278173 660254643 /nfs/dbraw/zinc/25/46/43/660254643.db2.gz DTACILLRALETOV-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000941278173 660254641 /nfs/dbraw/zinc/25/46/41/660254641.db2.gz DTACILLRALETOV-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000941278173 660254638 /nfs/dbraw/zinc/25/46/38/660254638.db2.gz DTACILLRALETOV-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000941278497 660254509 /nfs/dbraw/zinc/25/45/09/660254509.db2.gz OTMAGENREDKBRS-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000941278497 660254506 /nfs/dbraw/zinc/25/45/06/660254506.db2.gz OTMAGENREDKBRS-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000941278497 660254505 /nfs/dbraw/zinc/25/45/05/660254505.db2.gz OTMAGENREDKBRS-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000941278497 660254501 /nfs/dbraw/zinc/25/45/01/660254501.db2.gz OTMAGENREDKBRS-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000941309334 660258199 /nfs/dbraw/zinc/25/81/99/660258199.db2.gz BJWZNGPUONDYAL-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000941309334 660258198 /nfs/dbraw/zinc/25/81/98/660258198.db2.gz BJWZNGPUONDYAL-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941370411 660261838 /nfs/dbraw/zinc/26/18/38/660261838.db2.gz WTEIJOZJTQNKLO-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370412 660261860 /nfs/dbraw/zinc/26/18/60/660261860.db2.gz WTEIJOZJTQNKLO-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941373939 660261231 /nfs/dbraw/zinc/26/12/31/660261231.db2.gz BWBCITKNVXMUBB-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941373940 660261200 /nfs/dbraw/zinc/26/12/00/660261200.db2.gz BWBCITKNVXMUBB-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000941374362 660262335 /nfs/dbraw/zinc/26/23/35/660262335.db2.gz FMSBFCMHBPPNEJ-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000941374362 660262334 /nfs/dbraw/zinc/26/23/34/660262334.db2.gz FMSBFCMHBPPNEJ-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941374362 660262332 /nfs/dbraw/zinc/26/23/32/660262332.db2.gz FMSBFCMHBPPNEJ-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC000941374367 660262308 /nfs/dbraw/zinc/26/23/08/660262308.db2.gz FMSBFCMHBPPNEJ-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC000941374367 660262307 /nfs/dbraw/zinc/26/23/07/660262307.db2.gz FMSBFCMHBPPNEJ-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941374367 660262306 /nfs/dbraw/zinc/26/23/06/660262306.db2.gz FMSBFCMHBPPNEJ-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941378199 660262385 /nfs/dbraw/zinc/26/23/85/660262385.db2.gz VJLYKZGVISKVFP-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941378202 660262313 /nfs/dbraw/zinc/26/23/13/660262313.db2.gz VJLYKZGVISKVFP-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000941694118 660276810 /nfs/dbraw/zinc/27/68/10/660276810.db2.gz HSFKEMCNIKWFKU-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000941694118 660276808 /nfs/dbraw/zinc/27/68/08/660276808.db2.gz HSFKEMCNIKWFKU-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941852500 660282196 /nfs/dbraw/zinc/28/21/96/660282196.db2.gz JWIHDIWMOZBBPJ-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941852502 660282206 /nfs/dbraw/zinc/28/22/06/660282206.db2.gz JWIHDIWMOZBBPJ-BZUAXINKSA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941852838 660282220 /nfs/dbraw/zinc/28/22/20/660282220.db2.gz QSKZQLAKFAHGBN-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941852839 660282198 /nfs/dbraw/zinc/28/21/98/660282198.db2.gz QSKZQLAKFAHGBN-RRFJBIMHSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941853003 660282249 /nfs/dbraw/zinc/28/22/49/660282249.db2.gz VJTCFHCJOMYCJM-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941853004 660282216 /nfs/dbraw/zinc/28/22/16/660282216.db2.gz VJTCFHCJOMYCJM-RRFJBIMHSA-N 2 1 350.463 -0.624 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000941858813 660281404 /nfs/dbraw/zinc/28/14/04/660281404.db2.gz ALOCKWNLBZLMBC-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000941858813 660281402 /nfs/dbraw/zinc/28/14/02/660281402.db2.gz ALOCKWNLBZLMBC-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941858813 660281400 /nfs/dbraw/zinc/28/14/00/660281400.db2.gz ALOCKWNLBZLMBC-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC000941858814 660281385 /nfs/dbraw/zinc/28/13/85/660281385.db2.gz ALOCKWNLBZLMBC-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC000941858814 660281383 /nfs/dbraw/zinc/28/13/83/660281383.db2.gz ALOCKWNLBZLMBC-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941858814 660281380 /nfs/dbraw/zinc/28/13/80/660281380.db2.gz ALOCKWNLBZLMBC-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941865025 660281636 /nfs/dbraw/zinc/28/16/36/660281636.db2.gz KKZVENWPHOMIQW-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941865026 660281686 /nfs/dbraw/zinc/28/16/86/660281686.db2.gz KKZVENWPHOMIQW-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866544 660281803 /nfs/dbraw/zinc/28/18/03/660281803.db2.gz AKYNQQAKVIMWAS-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866545 660281936 /nfs/dbraw/zinc/28/19/36/660281936.db2.gz AKYNQQAKVIMWAS-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866875 660281965 /nfs/dbraw/zinc/28/19/65/660281965.db2.gz JGYUHIXQWCJKHF-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866876 660281911 /nfs/dbraw/zinc/28/19/11/660281911.db2.gz JGYUHIXQWCJKHF-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867110 660281840 /nfs/dbraw/zinc/28/18/40/660281840.db2.gz KFMPCZQUMNGLSI-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867111 660281943 /nfs/dbraw/zinc/28/19/43/660281943.db2.gz KFMPCZQUMNGLSI-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)[NH+](C)C ZINC000941871838 660282938 /nfs/dbraw/zinc/28/29/38/660282938.db2.gz YTDLGYUNRHLDRK-QLFBSQMISA-N 2 1 351.451 -0.126 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)[NH+](C)C ZINC000941871839 660282889 /nfs/dbraw/zinc/28/28/89/660282889.db2.gz YTDLGYUNRHLDRK-RBSFLKMASA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941872745 660282832 /nfs/dbraw/zinc/28/28/32/660282832.db2.gz LEPQJFAPXRKGHN-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941873532 660282853 /nfs/dbraw/zinc/28/28/53/660282853.db2.gz VZUKEEWPIPDEIG-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000942007845 660286719 /nfs/dbraw/zinc/28/67/19/660286719.db2.gz OUXRNAKRAICRAY-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000942205855 660295339 /nfs/dbraw/zinc/29/53/39/660295339.db2.gz LPHMIHWTSIWMFH-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000942205855 660295338 /nfs/dbraw/zinc/29/53/38/660295338.db2.gz LPHMIHWTSIWMFH-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000942205855 660295337 /nfs/dbraw/zinc/29/53/37/660295337.db2.gz LPHMIHWTSIWMFH-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000942205855 660295336 /nfs/dbraw/zinc/29/53/36/660295336.db2.gz LPHMIHWTSIWMFH-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548275 660300204 /nfs/dbraw/zinc/30/02/04/660300204.db2.gz REWIHTWOOPIBKN-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548276 660300233 /nfs/dbraw/zinc/30/02/33/660300233.db2.gz REWIHTWOOPIBKN-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552028 660300324 /nfs/dbraw/zinc/30/03/24/660300324.db2.gz BQKADYHALXZFBE-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552029 660300472 /nfs/dbraw/zinc/30/04/72/660300472.db2.gz BQKADYHALXZFBE-BZUAXINKSA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942597193 660302810 /nfs/dbraw/zinc/30/28/10/660302810.db2.gz HNVYPAGPDAKPDA-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942597194 660302781 /nfs/dbraw/zinc/30/27/81/660302781.db2.gz HNVYPAGPDAKPDA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)[NH+](C)C ZINC000943281187 660310101 /nfs/dbraw/zinc/31/01/01/660310101.db2.gz BPRPUSMMXZCXNL-QLFBSQMISA-N 2 1 351.451 -0.126 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)[NH+](C)C ZINC000943281188 660310005 /nfs/dbraw/zinc/31/00/05/660310005.db2.gz BPRPUSMMXZCXNL-RBSFLKMASA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943591845 660312641 /nfs/dbraw/zinc/31/26/41/660312641.db2.gz OYIMDOPPGLWVBK-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943591846 660312612 /nfs/dbraw/zinc/31/26/12/660312612.db2.gz OYIMDOPPGLWVBK-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943609097 660313068 /nfs/dbraw/zinc/31/30/68/660313068.db2.gz WNURKJFEHBOUGL-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943609098 660313104 /nfs/dbraw/zinc/31/31/04/660313104.db2.gz WNURKJFEHBOUGL-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620377 660313285 /nfs/dbraw/zinc/31/32/85/660313285.db2.gz IFOVBSIAUQDJPO-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620379 660313282 /nfs/dbraw/zinc/31/32/82/660313282.db2.gz IFOVBSIAUQDJPO-RRFJBIMHSA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000944030241 660329655 /nfs/dbraw/zinc/32/96/55/660329655.db2.gz GIEXNVUIOOSFAE-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000944030241 660329652 /nfs/dbraw/zinc/32/96/52/660329652.db2.gz GIEXNVUIOOSFAE-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000944104696 660339418 /nfs/dbraw/zinc/33/94/18/660339418.db2.gz PDKJUPHMRZASLX-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000944104696 660339417 /nfs/dbraw/zinc/33/94/17/660339417.db2.gz PDKJUPHMRZASLX-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000944104696 660339416 /nfs/dbraw/zinc/33/94/16/660339416.db2.gz PDKJUPHMRZASLX-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000944104696 660339415 /nfs/dbraw/zinc/33/94/15/660339415.db2.gz PDKJUPHMRZASLX-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000944185224 660340948 /nfs/dbraw/zinc/34/09/48/660340948.db2.gz PBGLHEWUJPHFFD-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000944185224 660340944 /nfs/dbraw/zinc/34/09/44/660340944.db2.gz PBGLHEWUJPHFFD-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000944185224 660340942 /nfs/dbraw/zinc/34/09/42/660340942.db2.gz PBGLHEWUJPHFFD-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000944185224 660340939 /nfs/dbraw/zinc/34/09/39/660340939.db2.gz PBGLHEWUJPHFFD-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000944465584 660343563 /nfs/dbraw/zinc/34/35/63/660343563.db2.gz KBRKUGOFGWWRBM-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000944465584 660343562 /nfs/dbraw/zinc/34/35/62/660343562.db2.gz KBRKUGOFGWWRBM-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000944465584 660343561 /nfs/dbraw/zinc/34/35/61/660343561.db2.gz KBRKUGOFGWWRBM-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@H+]1C ZINC000944617593 660344992 /nfs/dbraw/zinc/34/49/92/660344992.db2.gz ZCZZYXVQBKWCLI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@H+]1C ZINC000944617595 660345051 /nfs/dbraw/zinc/34/50/51/660345051.db2.gz ZCZZYXVQBKWCLI-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000945381736 660354295 /nfs/dbraw/zinc/35/42/95/660354295.db2.gz OPAJEWGHQQZGLS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000945381736 660354294 /nfs/dbraw/zinc/35/42/94/660354294.db2.gz OPAJEWGHQQZGLS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000945381736 660354293 /nfs/dbraw/zinc/35/42/93/660354293.db2.gz OPAJEWGHQQZGLS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000945381736 660354292 /nfs/dbraw/zinc/35/42/92/660354292.db2.gz OPAJEWGHQQZGLS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000945381737 660354321 /nfs/dbraw/zinc/35/43/21/660354321.db2.gz OPAJEWGHQQZGLS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000945381737 660354320 /nfs/dbraw/zinc/35/43/20/660354320.db2.gz OPAJEWGHQQZGLS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000945381737 660354319 /nfs/dbraw/zinc/35/43/19/660354319.db2.gz OPAJEWGHQQZGLS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000945381737 660354318 /nfs/dbraw/zinc/35/43/18/660354318.db2.gz OPAJEWGHQQZGLS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000945387570 660354305 /nfs/dbraw/zinc/35/43/05/660354305.db2.gz LTUWMNGYSFEDBX-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000945387570 660354304 /nfs/dbraw/zinc/35/43/04/660354304.db2.gz LTUWMNGYSFEDBX-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000945387570 660354303 /nfs/dbraw/zinc/35/43/03/660354303.db2.gz LTUWMNGYSFEDBX-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945835878 660356195 /nfs/dbraw/zinc/35/61/95/660356195.db2.gz AOGIGSVHKRKVKQ-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945835878 660356193 /nfs/dbraw/zinc/35/61/93/660356193.db2.gz AOGIGSVHKRKVKQ-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000945835878 660356191 /nfs/dbraw/zinc/35/61/91/660356191.db2.gz AOGIGSVHKRKVKQ-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000945835878 660356189 /nfs/dbraw/zinc/35/61/89/660356189.db2.gz AOGIGSVHKRKVKQ-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945835879 660356127 /nfs/dbraw/zinc/35/61/27/660356127.db2.gz AOGIGSVHKRKVKQ-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945835879 660356125 /nfs/dbraw/zinc/35/61/25/660356125.db2.gz AOGIGSVHKRKVKQ-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000945835879 660356122 /nfs/dbraw/zinc/35/61/22/660356122.db2.gz AOGIGSVHKRKVKQ-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000945835879 660356120 /nfs/dbraw/zinc/35/61/20/660356120.db2.gz AOGIGSVHKRKVKQ-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639480 660475889 /nfs/dbraw/zinc/47/58/89/660475889.db2.gz ASXFDKWDPMVABO-LVQVYYBASA-N 2 1 352.479 -0.378 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639480 660475888 /nfs/dbraw/zinc/47/58/88/660475888.db2.gz ASXFDKWDPMVABO-LVQVYYBASA-N 2 1 352.479 -0.378 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639480 660475887 /nfs/dbraw/zinc/47/58/87/660475887.db2.gz ASXFDKWDPMVABO-LVQVYYBASA-N 2 1 352.479 -0.378 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639480 660475886 /nfs/dbraw/zinc/47/58/86/660475886.db2.gz ASXFDKWDPMVABO-LVQVYYBASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639903 660475849 /nfs/dbraw/zinc/47/58/49/660475849.db2.gz KGXDCWZUFWHVTO-DGADGQDISA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639903 660475848 /nfs/dbraw/zinc/47/58/48/660475848.db2.gz KGXDCWZUFWHVTO-DGADGQDISA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639903 660475846 /nfs/dbraw/zinc/47/58/46/660475846.db2.gz KGXDCWZUFWHVTO-DGADGQDISA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639903 660475843 /nfs/dbraw/zinc/47/58/43/660475843.db2.gz KGXDCWZUFWHVTO-DGADGQDISA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639904 660475873 /nfs/dbraw/zinc/47/58/73/660475873.db2.gz KGXDCWZUFWHVTO-DGXTUMSLSA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639904 660475869 /nfs/dbraw/zinc/47/58/69/660475869.db2.gz KGXDCWZUFWHVTO-DGXTUMSLSA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639904 660475867 /nfs/dbraw/zinc/47/58/67/660475867.db2.gz KGXDCWZUFWHVTO-DGXTUMSLSA-N 2 1 352.479 -0.250 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639904 660475865 /nfs/dbraw/zinc/47/58/65/660475865.db2.gz KGXDCWZUFWHVTO-DGXTUMSLSA-N 2 1 352.479 -0.250 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946775313 660483645 /nfs/dbraw/zinc/48/36/45/660483645.db2.gz FYZRVZVARVBNGQ-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946775316 660483568 /nfs/dbraw/zinc/48/35/68/660483568.db2.gz FYZRVZVARVBNGQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000946796822 660488811 /nfs/dbraw/zinc/48/88/11/660488811.db2.gz RKBBJUQMJYLPKP-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000946796822 660488810 /nfs/dbraw/zinc/48/88/10/660488810.db2.gz RKBBJUQMJYLPKP-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000946796822 660488809 /nfs/dbraw/zinc/48/88/09/660488809.db2.gz RKBBJUQMJYLPKP-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000946796822 660488808 /nfs/dbraw/zinc/48/88/08/660488808.db2.gz RKBBJUQMJYLPKP-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000946796823 660488877 /nfs/dbraw/zinc/48/88/77/660488877.db2.gz RKBBJUQMJYLPKP-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000946796823 660488875 /nfs/dbraw/zinc/48/88/75/660488875.db2.gz RKBBJUQMJYLPKP-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000946796823 660488873 /nfs/dbraw/zinc/48/88/73/660488873.db2.gz RKBBJUQMJYLPKP-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000946796823 660488871 /nfs/dbraw/zinc/48/88/71/660488871.db2.gz RKBBJUQMJYLPKP-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000946806883 660489971 /nfs/dbraw/zinc/48/99/71/660489971.db2.gz GJBTWGNGQDHAFH-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000946806883 660489969 /nfs/dbraw/zinc/48/99/69/660489969.db2.gz GJBTWGNGQDHAFH-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946911879 660521933 /nfs/dbraw/zinc/52/19/33/660521933.db2.gz PMJSOIBUBOJHRY-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946911879 660521931 /nfs/dbraw/zinc/52/19/31/660521931.db2.gz PMJSOIBUBOJHRY-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000946911879 660521928 /nfs/dbraw/zinc/52/19/28/660521928.db2.gz PMJSOIBUBOJHRY-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000946911879 660521925 /nfs/dbraw/zinc/52/19/25/660521925.db2.gz PMJSOIBUBOJHRY-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946911880 660521884 /nfs/dbraw/zinc/52/18/84/660521884.db2.gz PMJSOIBUBOJHRY-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946911880 660521882 /nfs/dbraw/zinc/52/18/82/660521882.db2.gz PMJSOIBUBOJHRY-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000946911880 660521878 /nfs/dbraw/zinc/52/18/78/660521878.db2.gz PMJSOIBUBOJHRY-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000946911880 660521876 /nfs/dbraw/zinc/52/18/76/660521876.db2.gz PMJSOIBUBOJHRY-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000946921564 660523492 /nfs/dbraw/zinc/52/34/92/660523492.db2.gz FAAFUWCPQYBAQU-RRFJBIMHSA-N 2 1 352.479 -0.452 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000946921565 660523428 /nfs/dbraw/zinc/52/34/28/660523428.db2.gz FAAFUWCPQYBAQU-SOUVJXGZSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000946921941 660523935 /nfs/dbraw/zinc/52/39/35/660523935.db2.gz JVXRNLZTTHNDGX-KFWWJZLASA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000946921942 660523901 /nfs/dbraw/zinc/52/39/01/660523901.db2.gz JVXRNLZTTHNDGX-RBSFLKMASA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000946922570 660523838 /nfs/dbraw/zinc/52/38/38/660523838.db2.gz RCDBQWJFKMALEH-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000946922571 660523896 /nfs/dbraw/zinc/52/38/96/660523896.db2.gz RCDBQWJFKMALEH-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000947249640 658268763 /nfs/dbraw/zinc/26/87/63/658268763.db2.gz KYVZNQBQYFVTNE-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000947249640 658268755 /nfs/dbraw/zinc/26/87/55/658268755.db2.gz KYVZNQBQYFVTNE-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000947249936 658285461 /nfs/dbraw/zinc/28/54/61/658285461.db2.gz OOOPSHVFKOJIKG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000947249936 658285455 /nfs/dbraw/zinc/28/54/55/658285455.db2.gz OOOPSHVFKOJIKG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000947249936 658285448 /nfs/dbraw/zinc/28/54/48/658285448.db2.gz OOOPSHVFKOJIKG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000947249936 658285443 /nfs/dbraw/zinc/28/54/43/658285443.db2.gz OOOPSHVFKOJIKG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000947249937 658285789 /nfs/dbraw/zinc/28/57/89/658285789.db2.gz OOOPSHVFKOJIKG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000947249937 658285784 /nfs/dbraw/zinc/28/57/84/658285784.db2.gz OOOPSHVFKOJIKG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000947249937 658285778 /nfs/dbraw/zinc/28/57/78/658285778.db2.gz OOOPSHVFKOJIKG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000947249937 658285770 /nfs/dbraw/zinc/28/57/70/658285770.db2.gz OOOPSHVFKOJIKG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250253 658301215 /nfs/dbraw/zinc/30/12/15/658301215.db2.gz TXJBVYVZOZAIQA-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947250253 658301205 /nfs/dbraw/zinc/30/12/05/658301205.db2.gz TXJBVYVZOZAIQA-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250253 658301198 /nfs/dbraw/zinc/30/11/98/658301198.db2.gz TXJBVYVZOZAIQA-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250253 658301190 /nfs/dbraw/zinc/30/11/90/658301190.db2.gz TXJBVYVZOZAIQA-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250254 658301035 /nfs/dbraw/zinc/30/10/35/658301035.db2.gz TXJBVYVZOZAIQA-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947250254 658301026 /nfs/dbraw/zinc/30/10/26/658301026.db2.gz TXJBVYVZOZAIQA-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250254 658301021 /nfs/dbraw/zinc/30/10/21/658301021.db2.gz TXJBVYVZOZAIQA-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250254 658301011 /nfs/dbraw/zinc/30/10/11/658301011.db2.gz TXJBVYVZOZAIQA-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000948113903 661744585 /nfs/dbraw/zinc/74/45/85/661744585.db2.gz QNPXHDMVCLDMMM-KFWWJZLASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000948113903 661744581 /nfs/dbraw/zinc/74/45/81/661744581.db2.gz QNPXHDMVCLDMMM-KFWWJZLASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000948113904 661744577 /nfs/dbraw/zinc/74/45/77/661744577.db2.gz QNPXHDMVCLDMMM-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000948113904 661744575 /nfs/dbraw/zinc/74/45/75/661744575.db2.gz QNPXHDMVCLDMMM-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098831 661753718 /nfs/dbraw/zinc/75/37/18/661753718.db2.gz GVUIFQBPEHJYKW-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098832 661753622 /nfs/dbraw/zinc/75/36/22/661753622.db2.gz GVUIFQBPEHJYKW-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098987 661753665 /nfs/dbraw/zinc/75/36/65/661753665.db2.gz QALQRFZTBFEWFB-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098987 661753661 /nfs/dbraw/zinc/75/36/61/661753661.db2.gz QALQRFZTBFEWFB-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC000949099094 661753707 /nfs/dbraw/zinc/75/37/07/661753707.db2.gz WKBLYWULNYESSV-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC000949099094 661753705 /nfs/dbraw/zinc/75/37/05/661753705.db2.gz WKBLYWULNYESSV-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124148 661753958 /nfs/dbraw/zinc/75/39/58/661753958.db2.gz ROYXBYGIHKJYOW-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124148 661753955 /nfs/dbraw/zinc/75/39/55/661753955.db2.gz ROYXBYGIHKJYOW-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124149 661753859 /nfs/dbraw/zinc/75/38/59/661753859.db2.gz ROYXBYGIHKJYOW-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124149 661753858 /nfs/dbraw/zinc/75/38/58/661753858.db2.gz ROYXBYGIHKJYOW-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)O1 ZINC000949124484 661753872 /nfs/dbraw/zinc/75/38/72/661753872.db2.gz ZWXNOHFNUIKSRG-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)O1 ZINC000949124484 661753870 /nfs/dbraw/zinc/75/38/70/661753870.db2.gz ZWXNOHFNUIKSRG-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000949206139 661754868 /nfs/dbraw/zinc/75/48/68/661754868.db2.gz PEFJKCLCSWDADD-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000949206139 661754867 /nfs/dbraw/zinc/75/48/67/661754867.db2.gz PEFJKCLCSWDADD-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000949208415 661754893 /nfs/dbraw/zinc/75/48/93/661754893.db2.gz OITAVWJRWXUBAE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000949208415 661754891 /nfs/dbraw/zinc/75/48/91/661754891.db2.gz OITAVWJRWXUBAE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000949208416 661754864 /nfs/dbraw/zinc/75/48/64/661754864.db2.gz OITAVWJRWXUBAE-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000949208416 661754863 /nfs/dbraw/zinc/75/48/63/661754863.db2.gz OITAVWJRWXUBAE-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394892 661758818 /nfs/dbraw/zinc/75/88/18/661758818.db2.gz JDAZXPCMEJNVGL-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394892 661758816 /nfs/dbraw/zinc/75/88/16/661758816.db2.gz JDAZXPCMEJNVGL-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394892 661758815 /nfs/dbraw/zinc/75/88/15/661758815.db2.gz JDAZXPCMEJNVGL-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@H](O)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394892 661758811 /nfs/dbraw/zinc/75/88/11/661758811.db2.gz JDAZXPCMEJNVGL-ARFHVFGLSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394893 661758923 /nfs/dbraw/zinc/75/89/23/661758923.db2.gz JDAZXPCMEJNVGL-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394893 661758922 /nfs/dbraw/zinc/75/89/22/661758922.db2.gz JDAZXPCMEJNVGL-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394893 661758920 /nfs/dbraw/zinc/75/89/20/661758920.db2.gz JDAZXPCMEJNVGL-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H](O)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394893 661758918 /nfs/dbraw/zinc/75/89/18/661758918.db2.gz JDAZXPCMEJNVGL-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)O1 ZINC000949394962 661758789 /nfs/dbraw/zinc/75/87/89/661758789.db2.gz KHJZQRQKAPTANK-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@H+](CCCO)CCO3)O1 ZINC000949394962 661758785 /nfs/dbraw/zinc/75/87/85/661758785.db2.gz KHJZQRQKAPTANK-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CCCO)CCO3)O1 ZINC000949394962 661758783 /nfs/dbraw/zinc/75/87/83/661758783.db2.gz KHJZQRQKAPTANK-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CCCO)CCO3)O1 ZINC000949394962 661758780 /nfs/dbraw/zinc/75/87/80/661758780.db2.gz KHJZQRQKAPTANK-HZPDHXFCSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000950242156 661766733 /nfs/dbraw/zinc/76/67/33/661766733.db2.gz YSIBFYCUMBDLBI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000950242156 661766731 /nfs/dbraw/zinc/76/67/31/661766731.db2.gz YSIBFYCUMBDLBI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000950242157 661766813 /nfs/dbraw/zinc/76/68/13/661766813.db2.gz YSIBFYCUMBDLBI-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000950242157 661766812 /nfs/dbraw/zinc/76/68/12/661766812.db2.gz YSIBFYCUMBDLBI-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950712086 661770834 /nfs/dbraw/zinc/77/08/34/661770834.db2.gz DWPOAEJTIOMXFB-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950712086 661770831 /nfs/dbraw/zinc/77/08/31/661770831.db2.gz DWPOAEJTIOMXFB-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CC[NH+](CC2)C3)O1 ZINC000950789002 661772406 /nfs/dbraw/zinc/77/24/06/661772406.db2.gz ONSWFQVSHMDFEL-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CC[NH+](CC2)C3)O1 ZINC000950789002 661772405 /nfs/dbraw/zinc/77/24/05/661772405.db2.gz ONSWFQVSHMDFEL-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CC[NH+](CC2)C3)O1 ZINC000950789003 661772163 /nfs/dbraw/zinc/77/21/63/661772163.db2.gz ONSWFQVSHMDFEL-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CC[NH+](CC2)C3)O1 ZINC000950789003 661772158 /nfs/dbraw/zinc/77/21/58/661772158.db2.gz ONSWFQVSHMDFEL-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000950789241 661772727 /nfs/dbraw/zinc/77/27/27/661772727.db2.gz QLPUCMXEJSNMOH-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000950789241 661772723 /nfs/dbraw/zinc/77/27/23/661772723.db2.gz QLPUCMXEJSNMOH-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000950789242 661772871 /nfs/dbraw/zinc/77/28/71/661772871.db2.gz QLPUCMXEJSNMOH-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000950789242 661772869 /nfs/dbraw/zinc/77/28/69/661772869.db2.gz QLPUCMXEJSNMOH-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000950790197 661772670 /nfs/dbraw/zinc/77/26/70/661772670.db2.gz ZZFZOXGXPKPYHJ-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000950790197 661772665 /nfs/dbraw/zinc/77/26/65/661772665.db2.gz ZZFZOXGXPKPYHJ-QLFBSQMISA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000950790199 661772528 /nfs/dbraw/zinc/77/25/28/661772528.db2.gz ZZFZOXGXPKPYHJ-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000950790199 661772524 /nfs/dbraw/zinc/77/25/24/661772524.db2.gz ZZFZOXGXPKPYHJ-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000950794164 661772704 /nfs/dbraw/zinc/77/27/04/661772704.db2.gz YKTWKSLGRGFEQL-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000950794164 661772702 /nfs/dbraw/zinc/77/27/02/661772702.db2.gz YKTWKSLGRGFEQL-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000950794164 661772699 /nfs/dbraw/zinc/77/26/99/661772699.db2.gz YKTWKSLGRGFEQL-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000950794164 661772697 /nfs/dbraw/zinc/77/26/97/661772697.db2.gz YKTWKSLGRGFEQL-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000950794165 661772857 /nfs/dbraw/zinc/77/28/57/661772857.db2.gz YKTWKSLGRGFEQL-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000950794165 661772849 /nfs/dbraw/zinc/77/28/49/661772849.db2.gz YKTWKSLGRGFEQL-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000950794165 661772847 /nfs/dbraw/zinc/77/28/47/661772847.db2.gz YKTWKSLGRGFEQL-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000950794165 661772841 /nfs/dbraw/zinc/77/28/41/661772841.db2.gz YKTWKSLGRGFEQL-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000950809183 661773070 /nfs/dbraw/zinc/77/30/70/661773070.db2.gz BXZCHGWGNJVFSZ-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000950809183 661773068 /nfs/dbraw/zinc/77/30/68/661773068.db2.gz BXZCHGWGNJVFSZ-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000950809186 661773127 /nfs/dbraw/zinc/77/31/27/661773127.db2.gz BXZCHGWGNJVFSZ-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000950809186 661773123 /nfs/dbraw/zinc/77/31/23/661773123.db2.gz BXZCHGWGNJVFSZ-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000950825275 661773399 /nfs/dbraw/zinc/77/33/99/661773399.db2.gz RJWOLBSAELMVMR-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000950825275 661773398 /nfs/dbraw/zinc/77/33/98/661773398.db2.gz RJWOLBSAELMVMR-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000950825276 661773416 /nfs/dbraw/zinc/77/34/16/661773416.db2.gz RJWOLBSAELMVMR-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000950825276 661773415 /nfs/dbraw/zinc/77/34/15/661773415.db2.gz RJWOLBSAELMVMR-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000950873361 661774875 /nfs/dbraw/zinc/77/48/75/661774875.db2.gz ZJQVKQGSUFWPKO-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000950873361 661774872 /nfs/dbraw/zinc/77/48/72/661774872.db2.gz ZJQVKQGSUFWPKO-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000950873362 661774747 /nfs/dbraw/zinc/77/47/47/661774747.db2.gz ZJQVKQGSUFWPKO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000950873362 661774742 /nfs/dbraw/zinc/77/47/42/661774742.db2.gz ZJQVKQGSUFWPKO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000951238044 661780246 /nfs/dbraw/zinc/78/02/46/661780246.db2.gz CNVLZLIZINUJPX-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000951238044 661780242 /nfs/dbraw/zinc/78/02/42/661780242.db2.gz CNVLZLIZINUJPX-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000951238045 661780408 /nfs/dbraw/zinc/78/04/08/661780408.db2.gz CNVLZLIZINUJPX-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000951238045 661780407 /nfs/dbraw/zinc/78/04/07/661780407.db2.gz CNVLZLIZINUJPX-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)O1 ZINC000951241706 661780074 /nfs/dbraw/zinc/78/00/74/661780074.db2.gz TYTWIQKUUYUIRG-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)O1 ZINC000951241706 661780072 /nfs/dbraw/zinc/78/00/72/661780072.db2.gz TYTWIQKUUYUIRG-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)O1 ZINC000951241707 661780385 /nfs/dbraw/zinc/78/03/85/661780385.db2.gz TYTWIQKUUYUIRG-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)O1 ZINC000951241707 661780383 /nfs/dbraw/zinc/78/03/83/661780383.db2.gz TYTWIQKUUYUIRG-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000952335107 661790423 /nfs/dbraw/zinc/79/04/23/661790423.db2.gz JJMJTWYRZGCIQC-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000952335107 661790419 /nfs/dbraw/zinc/79/04/19/661790419.db2.gz JJMJTWYRZGCIQC-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000952335110 661790390 /nfs/dbraw/zinc/79/03/90/661790390.db2.gz JJMJTWYRZGCIQC-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000952335110 661790387 /nfs/dbraw/zinc/79/03/87/661790387.db2.gz JJMJTWYRZGCIQC-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000952343905 661790726 /nfs/dbraw/zinc/79/07/26/661790726.db2.gz BQUJAZFKLLSECU-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000952343905 661790723 /nfs/dbraw/zinc/79/07/23/661790723.db2.gz BQUJAZFKLLSECU-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000952343908 661790682 /nfs/dbraw/zinc/79/06/82/661790682.db2.gz BQUJAZFKLLSECU-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000952343908 661790679 /nfs/dbraw/zinc/79/06/79/661790679.db2.gz BQUJAZFKLLSECU-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000953959713 661792839 /nfs/dbraw/zinc/79/28/39/661792839.db2.gz NUNYCXWZGQJTLE-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000953959713 661792836 /nfs/dbraw/zinc/79/28/36/661792836.db2.gz NUNYCXWZGQJTLE-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000953959713 661792831 /nfs/dbraw/zinc/79/28/31/661792831.db2.gz NUNYCXWZGQJTLE-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000953959713 661792827 /nfs/dbraw/zinc/79/28/27/661792827.db2.gz NUNYCXWZGQJTLE-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000953959714 661792931 /nfs/dbraw/zinc/79/29/31/661792931.db2.gz NUNYCXWZGQJTLE-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000953959714 661792928 /nfs/dbraw/zinc/79/29/28/661792928.db2.gz NUNYCXWZGQJTLE-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000953959714 661792925 /nfs/dbraw/zinc/79/29/25/661792925.db2.gz NUNYCXWZGQJTLE-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000953959714 661792920 /nfs/dbraw/zinc/79/29/20/661792920.db2.gz NUNYCXWZGQJTLE-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000954406361 661796620 /nfs/dbraw/zinc/79/66/20/661796620.db2.gz SJJJYSNUQYZBLL-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000954406361 661796618 /nfs/dbraw/zinc/79/66/18/661796618.db2.gz SJJJYSNUQYZBLL-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954410535 661796889 /nfs/dbraw/zinc/79/68/89/661796889.db2.gz YREKTPDKCFWJHZ-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954410535 661796886 /nfs/dbraw/zinc/79/68/86/661796886.db2.gz YREKTPDKCFWJHZ-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000954410535 661796883 /nfs/dbraw/zinc/79/68/83/661796883.db2.gz YREKTPDKCFWJHZ-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000954410535 661796881 /nfs/dbraw/zinc/79/68/81/661796881.db2.gz YREKTPDKCFWJHZ-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954410908 661796803 /nfs/dbraw/zinc/79/68/03/661796803.db2.gz MXDZMFIDCBGASL-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954410908 661796800 /nfs/dbraw/zinc/79/68/00/661796800.db2.gz MXDZMFIDCBGASL-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410908 661796796 /nfs/dbraw/zinc/79/67/96/661796796.db2.gz MXDZMFIDCBGASL-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410908 661796794 /nfs/dbraw/zinc/79/67/94/661796794.db2.gz MXDZMFIDCBGASL-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954410909 661797022 /nfs/dbraw/zinc/79/70/22/661797022.db2.gz MXDZMFIDCBGASL-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954410909 661797017 /nfs/dbraw/zinc/79/70/17/661797017.db2.gz MXDZMFIDCBGASL-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410909 661797015 /nfs/dbraw/zinc/79/70/15/661797015.db2.gz MXDZMFIDCBGASL-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410909 661797012 /nfs/dbraw/zinc/79/70/12/661797012.db2.gz MXDZMFIDCBGASL-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000954411522 661796839 /nfs/dbraw/zinc/79/68/39/661796839.db2.gz NEPJJXRKRHFBPT-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000954411522 661796835 /nfs/dbraw/zinc/79/68/35/661796835.db2.gz NEPJJXRKRHFBPT-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000954411522 661796834 /nfs/dbraw/zinc/79/68/34/661796834.db2.gz NEPJJXRKRHFBPT-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000954411522 661796831 /nfs/dbraw/zinc/79/68/31/661796831.db2.gz NEPJJXRKRHFBPT-ARFHVFGLSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000954411523 661796976 /nfs/dbraw/zinc/79/69/76/661796976.db2.gz NEPJJXRKRHFBPT-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000954411523 661796972 /nfs/dbraw/zinc/79/69/72/661796972.db2.gz NEPJJXRKRHFBPT-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000954411523 661796969 /nfs/dbraw/zinc/79/69/69/661796969.db2.gz NEPJJXRKRHFBPT-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000954411523 661796967 /nfs/dbraw/zinc/79/69/67/661796967.db2.gz NEPJJXRKRHFBPT-XHSDSOJGSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954423320 661797596 /nfs/dbraw/zinc/79/75/96/661797596.db2.gz XLUUIZANOJJIRB-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954423320 661797593 /nfs/dbraw/zinc/79/75/93/661797593.db2.gz XLUUIZANOJJIRB-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954423320 661797590 /nfs/dbraw/zinc/79/75/90/661797590.db2.gz XLUUIZANOJJIRB-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954423320 661797588 /nfs/dbraw/zinc/79/75/88/661797588.db2.gz XLUUIZANOJJIRB-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954423323 661797537 /nfs/dbraw/zinc/79/75/37/661797537.db2.gz XLUUIZANOJJIRB-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954423323 661797533 /nfs/dbraw/zinc/79/75/33/661797533.db2.gz XLUUIZANOJJIRB-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954423323 661797530 /nfs/dbraw/zinc/79/75/30/661797530.db2.gz XLUUIZANOJJIRB-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954423323 661797528 /nfs/dbraw/zinc/79/75/28/661797528.db2.gz XLUUIZANOJJIRB-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000954646285 661799435 /nfs/dbraw/zinc/79/94/35/661799435.db2.gz DBBORYPKPYAUBK-UKRRQHHQSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000954646285 661799431 /nfs/dbraw/zinc/79/94/31/661799431.db2.gz DBBORYPKPYAUBK-UKRRQHHQSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000954646318 661799289 /nfs/dbraw/zinc/79/92/89/661799289.db2.gz DYXWNHPFDFUAHX-UKRRQHHQSA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000954646318 661799284 /nfs/dbraw/zinc/79/92/84/661799284.db2.gz DYXWNHPFDFUAHX-UKRRQHHQSA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954646341 661799589 /nfs/dbraw/zinc/79/95/89/661799589.db2.gz BDPJNIYRKDUKKQ-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954646341 661799587 /nfs/dbraw/zinc/79/95/87/661799587.db2.gz BDPJNIYRKDUKKQ-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954646341 661799584 /nfs/dbraw/zinc/79/95/84/661799584.db2.gz BDPJNIYRKDUKKQ-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954646341 661799582 /nfs/dbraw/zinc/79/95/82/661799582.db2.gz BDPJNIYRKDUKKQ-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954646342 661799533 /nfs/dbraw/zinc/79/95/33/661799533.db2.gz BDPJNIYRKDUKKQ-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954646342 661799530 /nfs/dbraw/zinc/79/95/30/661799530.db2.gz BDPJNIYRKDUKKQ-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954646342 661799527 /nfs/dbraw/zinc/79/95/27/661799527.db2.gz BDPJNIYRKDUKKQ-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954646342 661799525 /nfs/dbraw/zinc/79/95/25/661799525.db2.gz BDPJNIYRKDUKKQ-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000954646426 661799419 /nfs/dbraw/zinc/79/94/19/661799419.db2.gz GOIDUFFOCWWGQG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000954646426 661799417 /nfs/dbraw/zinc/79/94/17/661799417.db2.gz GOIDUFFOCWWGQG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000954646426 661799415 /nfs/dbraw/zinc/79/94/15/661799415.db2.gz GOIDUFFOCWWGQG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000954646426 661799413 /nfs/dbraw/zinc/79/94/13/661799413.db2.gz GOIDUFFOCWWGQG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000954646427 661799518 /nfs/dbraw/zinc/79/95/18/661799518.db2.gz GOIDUFFOCWWGQG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000954646427 661799514 /nfs/dbraw/zinc/79/95/14/661799514.db2.gz GOIDUFFOCWWGQG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000954646427 661799511 /nfs/dbraw/zinc/79/95/11/661799511.db2.gz GOIDUFFOCWWGQG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000954646427 661799509 /nfs/dbraw/zinc/79/95/09/661799509.db2.gz GOIDUFFOCWWGQG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000954646605 661799554 /nfs/dbraw/zinc/79/95/54/661799554.db2.gz KRSFRYZIIVQZHP-BMFZPTHFSA-N 2 1 354.495 -0.039 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000954646605 661799551 /nfs/dbraw/zinc/79/95/51/661799551.db2.gz KRSFRYZIIVQZHP-BMFZPTHFSA-N 2 1 354.495 -0.039 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000954646607 661799466 /nfs/dbraw/zinc/79/94/66/661799466.db2.gz KRSFRYZIIVQZHP-FVQBIDKESA-N 2 1 354.495 -0.039 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000954646607 661799464 /nfs/dbraw/zinc/79/94/64/661799464.db2.gz KRSFRYZIIVQZHP-FVQBIDKESA-N 2 1 354.495 -0.039 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000954647514 661799902 /nfs/dbraw/zinc/79/99/02/661799902.db2.gz ZLOORDJXRPMYTG-CZUORRHYSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000954647514 661799900 /nfs/dbraw/zinc/79/99/00/661799900.db2.gz ZLOORDJXRPMYTG-CZUORRHYSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000954647685 661800006 /nfs/dbraw/zinc/80/00/06/661800006.db2.gz DZKBNWUXUUNYJV-CZUORRHYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000954647685 661800004 /nfs/dbraw/zinc/80/00/04/661800004.db2.gz DZKBNWUXUUNYJV-CZUORRHYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000954647685 661800002 /nfs/dbraw/zinc/80/00/02/661800002.db2.gz DZKBNWUXUUNYJV-CZUORRHYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000954647685 661800001 /nfs/dbraw/zinc/80/00/01/661800001.db2.gz DZKBNWUXUUNYJV-CZUORRHYSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954648464 661800054 /nfs/dbraw/zinc/80/00/54/661800054.db2.gz KQPQYTAWKGPIJV-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954648464 661800053 /nfs/dbraw/zinc/80/00/53/661800053.db2.gz KQPQYTAWKGPIJV-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000954648464 661800052 /nfs/dbraw/zinc/80/00/52/661800052.db2.gz KQPQYTAWKGPIJV-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000954648464 661800051 /nfs/dbraw/zinc/80/00/51/661800051.db2.gz KQPQYTAWKGPIJV-RRCSTGOVSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)O1 ZINC000954648549 661799881 /nfs/dbraw/zinc/79/98/81/661799881.db2.gz LTEZHFQZELDXCM-DAXOMENPSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)O1 ZINC000954648549 661799878 /nfs/dbraw/zinc/79/98/78/661799878.db2.gz LTEZHFQZELDXCM-DAXOMENPSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)O1 ZINC000954648552 661799942 /nfs/dbraw/zinc/79/99/42/661799942.db2.gz LTEZHFQZELDXCM-WQVCFCJDSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)O1 ZINC000954648552 661799940 /nfs/dbraw/zinc/79/99/40/661799940.db2.gz LTEZHFQZELDXCM-WQVCFCJDSA-N 2 1 352.479 -0.285 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954649332 661799926 /nfs/dbraw/zinc/79/99/26/661799926.db2.gz PUOAQSWTZGGVHA-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954649332 661799923 /nfs/dbraw/zinc/79/99/23/661799923.db2.gz PUOAQSWTZGGVHA-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000954649332 661799920 /nfs/dbraw/zinc/79/99/20/661799920.db2.gz PUOAQSWTZGGVHA-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000954649332 661799917 /nfs/dbraw/zinc/79/99/17/661799917.db2.gz PUOAQSWTZGGVHA-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954649335 661799835 /nfs/dbraw/zinc/79/98/35/661799835.db2.gz PUOAQSWTZGGVHA-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954649335 661799832 /nfs/dbraw/zinc/79/98/32/661799832.db2.gz PUOAQSWTZGGVHA-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000954649335 661799829 /nfs/dbraw/zinc/79/98/29/661799829.db2.gz PUOAQSWTZGGVHA-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000954649335 661799825 /nfs/dbraw/zinc/79/98/25/661799825.db2.gz PUOAQSWTZGGVHA-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000954649981 661800040 /nfs/dbraw/zinc/80/00/40/661800040.db2.gz WWAPAUHXJJIBEK-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000954649981 661800038 /nfs/dbraw/zinc/80/00/38/661800038.db2.gz WWAPAUHXJJIBEK-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000954649981 661800036 /nfs/dbraw/zinc/80/00/36/661800036.db2.gz WWAPAUHXJJIBEK-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000954649981 661800034 /nfs/dbraw/zinc/80/00/34/661800034.db2.gz WWAPAUHXJJIBEK-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000954649984 661799754 /nfs/dbraw/zinc/79/97/54/661799754.db2.gz WWAPAUHXJJIBEK-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000954649984 661799752 /nfs/dbraw/zinc/79/97/52/661799752.db2.gz WWAPAUHXJJIBEK-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000954649984 661799748 /nfs/dbraw/zinc/79/97/48/661799748.db2.gz WWAPAUHXJJIBEK-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000954649984 661799744 /nfs/dbraw/zinc/79/97/44/661799744.db2.gz WWAPAUHXJJIBEK-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000954664651 661800267 /nfs/dbraw/zinc/80/02/67/661800267.db2.gz FPBIXKUDJPRKGG-CZUORRHYSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000954664651 661800264 /nfs/dbraw/zinc/80/02/64/661800264.db2.gz FPBIXKUDJPRKGG-CZUORRHYSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000954704397 661800930 /nfs/dbraw/zinc/80/09/30/661800930.db2.gz DBZIPOUQWGQWTA-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000954704397 661800928 /nfs/dbraw/zinc/80/09/28/661800928.db2.gz DBZIPOUQWGQWTA-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000954704397 661800926 /nfs/dbraw/zinc/80/09/26/661800926.db2.gz DBZIPOUQWGQWTA-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000954704397 661800923 /nfs/dbraw/zinc/80/09/23/661800923.db2.gz DBZIPOUQWGQWTA-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000954704398 661800864 /nfs/dbraw/zinc/80/08/64/661800864.db2.gz DBZIPOUQWGQWTA-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000954704398 661800861 /nfs/dbraw/zinc/80/08/61/661800861.db2.gz DBZIPOUQWGQWTA-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000954704398 661800854 /nfs/dbraw/zinc/80/08/54/661800854.db2.gz DBZIPOUQWGQWTA-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000954704398 661800847 /nfs/dbraw/zinc/80/08/47/661800847.db2.gz DBZIPOUQWGQWTA-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000954835556 661802069 /nfs/dbraw/zinc/80/20/69/661802069.db2.gz RUYCOCJTUMHATG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000954835556 661802066 /nfs/dbraw/zinc/80/20/66/661802066.db2.gz RUYCOCJTUMHATG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000954835556 661802063 /nfs/dbraw/zinc/80/20/63/661802063.db2.gz RUYCOCJTUMHATG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000954835556 661802060 /nfs/dbraw/zinc/80/20/60/661802060.db2.gz RUYCOCJTUMHATG-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000954835557 661802195 /nfs/dbraw/zinc/80/21/95/661802195.db2.gz RUYCOCJTUMHATG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000954835557 661802191 /nfs/dbraw/zinc/80/21/91/661802191.db2.gz RUYCOCJTUMHATG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000954835557 661802186 /nfs/dbraw/zinc/80/21/86/661802186.db2.gz RUYCOCJTUMHATG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000954835557 661802182 /nfs/dbraw/zinc/80/21/82/661802182.db2.gz RUYCOCJTUMHATG-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000954843221 661802297 /nfs/dbraw/zinc/80/22/97/661802297.db2.gz RNIPUKLXUDTWEP-UKRRQHHQSA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000954843221 661802293 /nfs/dbraw/zinc/80/22/93/661802293.db2.gz RNIPUKLXUDTWEP-UKRRQHHQSA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000955337913 661805549 /nfs/dbraw/zinc/80/55/49/661805549.db2.gz ASDYIZOLWRMVOS-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000955337913 661805547 /nfs/dbraw/zinc/80/55/47/661805547.db2.gz ASDYIZOLWRMVOS-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000955337913 661805545 /nfs/dbraw/zinc/80/55/45/661805545.db2.gz ASDYIZOLWRMVOS-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000955337913 661805543 /nfs/dbraw/zinc/80/55/43/661805543.db2.gz ASDYIZOLWRMVOS-IIAWOOMASA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000955337914 661805573 /nfs/dbraw/zinc/80/55/73/661805573.db2.gz ASDYIZOLWRMVOS-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000955337914 661805566 /nfs/dbraw/zinc/80/55/66/661805566.db2.gz ASDYIZOLWRMVOS-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000955337914 661805564 /nfs/dbraw/zinc/80/55/64/661805564.db2.gz ASDYIZOLWRMVOS-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000955337914 661805562 /nfs/dbraw/zinc/80/55/62/661805562.db2.gz ASDYIZOLWRMVOS-SQWLQELKSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955341412 661805428 /nfs/dbraw/zinc/80/54/28/661805428.db2.gz PANKZPLPYFZDAD-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955341412 661805425 /nfs/dbraw/zinc/80/54/25/661805425.db2.gz PANKZPLPYFZDAD-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000955341412 661805420 /nfs/dbraw/zinc/80/54/20/661805420.db2.gz PANKZPLPYFZDAD-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000955341412 661805415 /nfs/dbraw/zinc/80/54/15/661805415.db2.gz PANKZPLPYFZDAD-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955341413 661805638 /nfs/dbraw/zinc/80/56/38/661805638.db2.gz PANKZPLPYFZDAD-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955341413 661805636 /nfs/dbraw/zinc/80/56/36/661805636.db2.gz PANKZPLPYFZDAD-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000955341413 661805635 /nfs/dbraw/zinc/80/56/35/661805635.db2.gz PANKZPLPYFZDAD-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000955341413 661805634 /nfs/dbraw/zinc/80/56/34/661805634.db2.gz PANKZPLPYFZDAD-SQWLQELKSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000956021501 661808824 /nfs/dbraw/zinc/80/88/24/661808824.db2.gz GIEXNVUIOOSFAE-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000956021501 661808808 /nfs/dbraw/zinc/80/88/08/661808808.db2.gz GIEXNVUIOOSFAE-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP NC(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000956944477 661815258 /nfs/dbraw/zinc/81/52/58/661815258.db2.gz SNJBVYDFGYHZDC-HUUCEWRRSA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000956944477 661815256 /nfs/dbraw/zinc/81/52/56/661815256.db2.gz SNJBVYDFGYHZDC-HUUCEWRRSA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000956944478 661815225 /nfs/dbraw/zinc/81/52/25/661815225.db2.gz SNJBVYDFGYHZDC-LSDHHAIUSA-N 2 1 353.467 -0.558 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000956944478 661815222 /nfs/dbraw/zinc/81/52/22/661815222.db2.gz SNJBVYDFGYHZDC-LSDHHAIUSA-N 2 1 353.467 -0.558 20 0 FBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000957085693 661816428 /nfs/dbraw/zinc/81/64/28/661816428.db2.gz CYVGDFHJAOMNJO-KFWWJZLASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000957085693 661816425 /nfs/dbraw/zinc/81/64/25/661816425.db2.gz CYVGDFHJAOMNJO-KFWWJZLASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000957085694 661816417 /nfs/dbraw/zinc/81/64/17/661816417.db2.gz CYVGDFHJAOMNJO-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000957085694 661816415 /nfs/dbraw/zinc/81/64/15/661816415.db2.gz CYVGDFHJAOMNJO-RBSFLKMASA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000957162864 661818191 /nfs/dbraw/zinc/81/81/91/661818191.db2.gz KRVJMOYRDAKGEQ-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000957162864 661818190 /nfs/dbraw/zinc/81/81/90/661818190.db2.gz KRVJMOYRDAKGEQ-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000957162865 661818308 /nfs/dbraw/zinc/81/83/08/661818308.db2.gz KRVJMOYRDAKGEQ-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000957162865 661818305 /nfs/dbraw/zinc/81/83/05/661818305.db2.gz KRVJMOYRDAKGEQ-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC2)CC[NH+](CC(N)=O)CC3)O1 ZINC000957565852 661821707 /nfs/dbraw/zinc/82/17/07/661821707.db2.gz BNVDQZAQPNHYLR-HUUCEWRRSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000958851883 661835778 /nfs/dbraw/zinc/83/57/78/661835778.db2.gz NITQPWVOVWSLFW-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC000958860135 661836281 /nfs/dbraw/zinc/83/62/81/661836281.db2.gz BKPWGCRIPOTDBH-SUJAAXHWSA-N 2 1 354.495 -0.303 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CC[NH+]1C ZINC000958860250 661836479 /nfs/dbraw/zinc/83/64/79/661836479.db2.gz IFPNYSWDMXICGC-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)CC[NH+]1C ZINC000958860250 661836478 /nfs/dbraw/zinc/83/64/78/661836478.db2.gz IFPNYSWDMXICGC-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2O)CC[N@H+]1C ZINC000958860250 661836475 /nfs/dbraw/zinc/83/64/75/661836475.db2.gz IFPNYSWDMXICGC-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000958911825 661838853 /nfs/dbraw/zinc/83/88/53/661838853.db2.gz YNLMYLJRDQPUSB-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000958911825 661838851 /nfs/dbraw/zinc/83/88/51/661838851.db2.gz YNLMYLJRDQPUSB-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000958911825 661838849 /nfs/dbraw/zinc/83/88/49/661838849.db2.gz YNLMYLJRDQPUSB-SUJAAXHWSA-N 2 1 352.479 -0.549 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000959954701 661849411 /nfs/dbraw/zinc/84/94/11/661849411.db2.gz PVFGFZSXZZVARF-BJMQQELFSA-N 2 1 350.463 -0.735 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000959954701 661849409 /nfs/dbraw/zinc/84/94/09/661849409.db2.gz PVFGFZSXZZVARF-BJMQQELFSA-N 2 1 350.463 -0.735 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)CC[NH+]1C ZINC000959970781 661849864 /nfs/dbraw/zinc/84/98/64/661849864.db2.gz CTAOWJOZDMSJEX-SUJAAXHWSA-N 2 1 370.519 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)CC[NH+]1C ZINC000959970781 661849862 /nfs/dbraw/zinc/84/98/62/661849862.db2.gz CTAOWJOZDMSJEX-SUJAAXHWSA-N 2 1 370.519 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)CC[N@H+]1C ZINC000959970781 661849861 /nfs/dbraw/zinc/84/98/61/661849861.db2.gz CTAOWJOZDMSJEX-SUJAAXHWSA-N 2 1 370.519 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC000959972523 661849882 /nfs/dbraw/zinc/84/98/82/661849882.db2.gz JRCMKRLFGYAZCL-NPCUJANDSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC000959972523 661849881 /nfs/dbraw/zinc/84/98/81/661849881.db2.gz JRCMKRLFGYAZCL-NPCUJANDSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC000959972523 661849879 /nfs/dbraw/zinc/84/98/79/661849879.db2.gz JRCMKRLFGYAZCL-NPCUJANDSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC000959972523 661849878 /nfs/dbraw/zinc/84/98/78/661849878.db2.gz JRCMKRLFGYAZCL-NPCUJANDSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC000960009553 661852040 /nfs/dbraw/zinc/85/20/40/661852040.db2.gz BLSULZOXOVULGO-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960139929 661860446 /nfs/dbraw/zinc/86/04/46/661860446.db2.gz VGVZYEOESIETLB-HRCADAONSA-N 2 1 350.463 -0.385 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960139937 661860420 /nfs/dbraw/zinc/86/04/20/661860420.db2.gz VGVZYEOESIETLB-OWCLPIDISA-N 2 1 350.463 -0.385 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408641 661870273 /nfs/dbraw/zinc/87/02/73/661870273.db2.gz IKVKIXCMXKMPCM-HRCADAONSA-N 2 1 350.463 -0.385 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408644 661870408 /nfs/dbraw/zinc/87/04/08/661870408.db2.gz IKVKIXCMXKMPCM-OWCLPIDISA-N 2 1 350.463 -0.385 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000960412713 661870647 /nfs/dbraw/zinc/87/06/47/661870647.db2.gz XAMDUOOXULAZDU-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000960412714 661870596 /nfs/dbraw/zinc/87/05/96/661870596.db2.gz XAMDUOOXULAZDU-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000960415422 661870577 /nfs/dbraw/zinc/87/05/77/661870577.db2.gz NIGHADNONGKYNN-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000960415424 661870741 /nfs/dbraw/zinc/87/07/41/661870741.db2.gz NIGHADNONGKYNN-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)O1 ZINC000960523995 661875986 /nfs/dbraw/zinc/87/59/86/661875986.db2.gz HPBUABFXABFTNL-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)O1 ZINC000960523995 661875984 /nfs/dbraw/zinc/87/59/84/661875984.db2.gz HPBUABFXABFTNL-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)O1 ZINC000960523995 661875982 /nfs/dbraw/zinc/87/59/82/661875982.db2.gz HPBUABFXABFTNL-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)O1 ZINC000960523995 661875979 /nfs/dbraw/zinc/87/59/79/661875979.db2.gz HPBUABFXABFTNL-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960574021 661877724 /nfs/dbraw/zinc/87/77/24/661877724.db2.gz MWXPPKORBHLBNX-LVQVYYBASA-N 2 1 352.479 -0.141 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960734905 661885076 /nfs/dbraw/zinc/88/50/76/661885076.db2.gz BVQYSRPHSMYLIF-XUWVNRHRSA-N 2 1 352.479 -0.141 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960739057 661884997 /nfs/dbraw/zinc/88/49/97/661884997.db2.gz BVQYSRPHSMYLIF-LVQVYYBASA-N 2 1 352.479 -0.141 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000960739270 661885183 /nfs/dbraw/zinc/88/51/83/661885183.db2.gz DUQSRGKFUIATOA-LVQVYYBASA-N 2 1 350.463 -0.387 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000960739270 661885177 /nfs/dbraw/zinc/88/51/77/661885177.db2.gz DUQSRGKFUIATOA-LVQVYYBASA-N 2 1 350.463 -0.387 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000960739270 661885171 /nfs/dbraw/zinc/88/51/71/661885171.db2.gz DUQSRGKFUIATOA-LVQVYYBASA-N 2 1 350.463 -0.387 20 0 FBADMP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960969023 661892968 /nfs/dbraw/zinc/89/29/68/661892968.db2.gz MWXPPKORBHLBNX-XUWVNRHRSA-N 2 1 352.479 -0.141 20 0 FBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000961309327 661902531 /nfs/dbraw/zinc/90/25/31/661902531.db2.gz CFFCMDUHMQZFJQ-NRKLIOEPSA-N 2 1 353.463 -0.441 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC000961857965 661924158 /nfs/dbraw/zinc/92/41/58/661924158.db2.gz ZOWYXUGRWWKGDU-CLRIEMFWSA-N 2 1 350.467 -0.177 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)CC1 ZINC000961927155 661928244 /nfs/dbraw/zinc/92/82/44/661928244.db2.gz FIKLCGLDCWGSQL-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)CC1 ZINC000961927156 661928307 /nfs/dbraw/zinc/92/83/07/661928307.db2.gz FIKLCGLDCWGSQL-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000961928410 661928559 /nfs/dbraw/zinc/92/85/59/661928559.db2.gz QGBGFSLGGNQNED-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000961928411 661928454 /nfs/dbraw/zinc/92/84/54/661928454.db2.gz QGBGFSLGGNQNED-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000961928507 661928591 /nfs/dbraw/zinc/92/85/91/661928591.db2.gz RTJBOIOCCCHYPI-ILXRZTDVSA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000961928509 661928585 /nfs/dbraw/zinc/92/85/85/661928585.db2.gz RTJBOIOCCCHYPI-KFWWJZLASA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000961931345 661928944 /nfs/dbraw/zinc/92/89/44/661928944.db2.gz HREMWHOPTLXGAM-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000961931346 661928905 /nfs/dbraw/zinc/92/89/05/661928905.db2.gz HREMWHOPTLXGAM-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000961962823 661930047 /nfs/dbraw/zinc/93/00/47/661930047.db2.gz HFWORPJYPOTMRY-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000961962824 661930053 /nfs/dbraw/zinc/93/00/53/661930053.db2.gz HFWORPJYPOTMRY-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963663 661930378 /nfs/dbraw/zinc/93/03/78/661930378.db2.gz OCOYBCLXUYSSMN-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963663 661930377 /nfs/dbraw/zinc/93/03/77/661930377.db2.gz OCOYBCLXUYSSMN-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963663 661930376 /nfs/dbraw/zinc/93/03/76/661930376.db2.gz OCOYBCLXUYSSMN-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963666 661930557 /nfs/dbraw/zinc/93/05/57/661930557.db2.gz OCOYBCLXUYSSMN-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963666 661930555 /nfs/dbraw/zinc/93/05/55/661930555.db2.gz OCOYBCLXUYSSMN-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963666 661930553 /nfs/dbraw/zinc/93/05/53/661930553.db2.gz OCOYBCLXUYSSMN-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000963030194 661970270 /nfs/dbraw/zinc/97/02/70/661970270.db2.gz POXRLIBNKMQUIC-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000963030195 661970340 /nfs/dbraw/zinc/97/03/40/661970340.db2.gz POXRLIBNKMQUIC-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000963043305 661970780 /nfs/dbraw/zinc/97/07/80/661970780.db2.gz ULHSTGYGTPMZNT-OAGGEKHMSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000963043308 661970815 /nfs/dbraw/zinc/97/08/15/661970815.db2.gz ULHSTGYGTPMZNT-XHSDSOJGSA-N 2 1 352.479 -0.642 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963075548 661972130 /nfs/dbraw/zinc/97/21/30/661972130.db2.gz RYKDUYPMCVNGCX-OAGGEKHMSA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963075549 661972191 /nfs/dbraw/zinc/97/21/91/661972191.db2.gz RYKDUYPMCVNGCX-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963382876 661979197 /nfs/dbraw/zinc/97/91/97/661979197.db2.gz MKDAFEPQKJQBEI-OAGGEKHMSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963382877 661979114 /nfs/dbraw/zinc/97/91/14/661979114.db2.gz MKDAFEPQKJQBEI-XHSDSOJGSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383573 661979536 /nfs/dbraw/zinc/97/95/36/661979536.db2.gz UVCSLWJBPSDNIA-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383573 661979532 /nfs/dbraw/zinc/97/95/32/661979532.db2.gz UVCSLWJBPSDNIA-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383573 661979531 /nfs/dbraw/zinc/97/95/31/661979531.db2.gz UVCSLWJBPSDNIA-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383576 661979455 /nfs/dbraw/zinc/97/94/55/661979455.db2.gz UVCSLWJBPSDNIA-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383576 661979451 /nfs/dbraw/zinc/97/94/51/661979451.db2.gz UVCSLWJBPSDNIA-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383576 661979450 /nfs/dbraw/zinc/97/94/50/661979450.db2.gz UVCSLWJBPSDNIA-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)C1 ZINC000963391839 661979511 /nfs/dbraw/zinc/97/95/11/661979511.db2.gz AYABFYOFUSCWJJ-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)C1 ZINC000963391840 661979597 /nfs/dbraw/zinc/97/95/97/661979597.db2.gz AYABFYOFUSCWJJ-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963391876 661979519 /nfs/dbraw/zinc/97/95/19/661979519.db2.gz BUCWHNYJFDXXDE-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963391877 661979439 /nfs/dbraw/zinc/97/94/39/661979439.db2.gz BUCWHNYJFDXXDE-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)C1 ZINC000963419072 661980057 /nfs/dbraw/zinc/98/00/57/661980057.db2.gz HTLWAOLUBPUHLV-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)C1 ZINC000963419077 661980035 /nfs/dbraw/zinc/98/00/35/661980035.db2.gz HTLWAOLUBPUHLV-ZNMIVQPWSA-N 2 1 350.463 -0.746 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CC1 ZINC000963420941 661980015 /nfs/dbraw/zinc/98/00/15/661980015.db2.gz PEANLCMXKQMDKH-OAGGEKHMSA-N 2 1 352.479 -0.642 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CC1 ZINC000963420942 661979966 /nfs/dbraw/zinc/97/99/66/661979966.db2.gz PEANLCMXKQMDKH-XHSDSOJGSA-N 2 1 352.479 -0.642 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963487128 661980846 /nfs/dbraw/zinc/98/08/46/661980846.db2.gz RZCBJPMXKKAFKC-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963487130 661980748 /nfs/dbraw/zinc/98/07/48/661980748.db2.gz RZCBJPMXKKAFKC-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963487609 661980732 /nfs/dbraw/zinc/98/07/32/661980732.db2.gz WPWSOJPJJKENPE-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963497047 661980680 /nfs/dbraw/zinc/98/06/80/661980680.db2.gz ALTHGYZNGOVTQZ-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963497048 661980840 /nfs/dbraw/zinc/98/08/40/661980840.db2.gz ALTHGYZNGOVTQZ-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC[N@H+]1C ZINC000963497524 661980826 /nfs/dbraw/zinc/98/08/26/661980826.db2.gz DFYQOCKZLCGRON-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963525413 661981007 /nfs/dbraw/zinc/98/10/07/661981007.db2.gz JITMTNFIUYJCNC-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963525415 661981127 /nfs/dbraw/zinc/98/11/27/661981127.db2.gz JITMTNFIUYJCNC-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC[N@H+]1C ZINC000963525968 661981040 /nfs/dbraw/zinc/98/10/40/661981040.db2.gz LHJPADCHDXXHQT-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC000963543389 661981086 /nfs/dbraw/zinc/98/10/86/661981086.db2.gz SPPNETKEDSFNKR-IJEWVQPXSA-N 2 1 351.451 -0.534 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC000963557723 661981338 /nfs/dbraw/zinc/98/13/38/661981338.db2.gz SPPNETKEDSFNKR-YCPHGPKFSA-N 2 1 351.451 -0.534 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCNC2=O)C3)O1 ZINC000964030829 661991175 /nfs/dbraw/zinc/99/11/75/661991175.db2.gz ZYXZNDDLANAWMV-KYTVVDGFSA-N 2 1 350.463 -0.389 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCNC2=O)C3)O1 ZINC000964030829 661991173 /nfs/dbraw/zinc/99/11/73/661991173.db2.gz ZYXZNDDLANAWMV-KYTVVDGFSA-N 2 1 350.463 -0.389 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCNC2=O)C3)O1 ZINC000964030830 661991187 /nfs/dbraw/zinc/99/11/87/661991187.db2.gz ZYXZNDDLANAWMV-YRIPQSBXSA-N 2 1 350.463 -0.389 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCNC2=O)C3)O1 ZINC000964030830 661991184 /nfs/dbraw/zinc/99/11/84/661991184.db2.gz ZYXZNDDLANAWMV-YRIPQSBXSA-N 2 1 350.463 -0.389 20 0 FBADMP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)C(N)=O ZINC000964032368 661991480 /nfs/dbraw/zinc/99/14/80/661991480.db2.gz SRWPJNGTAARAHW-KYTVVDGFSA-N 2 1 352.479 -0.014 20 0 FBADMP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)C(N)=O ZINC000964032368 661991479 /nfs/dbraw/zinc/99/14/79/661991479.db2.gz SRWPJNGTAARAHW-KYTVVDGFSA-N 2 1 352.479 -0.014 20 0 FBADMP CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)C(N)=O ZINC000964032370 661991506 /nfs/dbraw/zinc/99/15/06/661991506.db2.gz SRWPJNGTAARAHW-YRIPQSBXSA-N 2 1 352.479 -0.014 20 0 FBADMP CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)C(N)=O ZINC000964032370 661991505 /nfs/dbraw/zinc/99/15/05/661991505.db2.gz SRWPJNGTAARAHW-YRIPQSBXSA-N 2 1 352.479 -0.014 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000964212872 661994398 /nfs/dbraw/zinc/99/43/98/661994398.db2.gz MYFVDEVJLNNPLT-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000964212874 661994317 /nfs/dbraw/zinc/99/43/17/661994317.db2.gz MYFVDEVJLNNPLT-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)CC[N@H+]1C ZINC000964628859 662002853 /nfs/dbraw/zinc/00/28/53/662002853.db2.gz IWPXAPLDLJUQII-TUVASFSCSA-N 2 1 350.463 -0.890 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)CC[N@H+]1C ZINC000964630199 662002838 /nfs/dbraw/zinc/00/28/38/662002838.db2.gz AHKACPCWXLXJEP-MIGQKNRLSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)CC[N@H+]1C ZINC000964633599 662002648 /nfs/dbraw/zinc/00/26/48/662002648.db2.gz DUFFPYQQGMSUBE-TUVASFSCSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2O)CC[NH+]1C ZINC000964635818 662003025 /nfs/dbraw/zinc/00/30/25/662003025.db2.gz DXAZMAAQERWWBW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)CC[NH+]1C ZINC000964635818 662003021 /nfs/dbraw/zinc/00/30/21/662003021.db2.gz DXAZMAAQERWWBW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC000964635818 662003017 /nfs/dbraw/zinc/00/30/17/662003017.db2.gz DXAZMAAQERWWBW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@H+]1C ZINC000964762445 662003602 /nfs/dbraw/zinc/00/36/02/662003602.db2.gz SVEYNNONQSDYMK-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000965950301 662025234 /nfs/dbraw/zinc/02/52/34/662025234.db2.gz FYJCMIRRCIBNAF-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000965950301 662025229 /nfs/dbraw/zinc/02/52/29/662025229.db2.gz FYJCMIRRCIBNAF-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000965950301 662025225 /nfs/dbraw/zinc/02/52/25/662025225.db2.gz FYJCMIRRCIBNAF-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000965950301 662025222 /nfs/dbraw/zinc/02/52/22/662025222.db2.gz FYJCMIRRCIBNAF-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000965972016 662027257 /nfs/dbraw/zinc/02/72/57/662027257.db2.gz QZMZQIWZKKQBFB-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000965972016 662027255 /nfs/dbraw/zinc/02/72/55/662027255.db2.gz QZMZQIWZKKQBFB-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000965972016 662027253 /nfs/dbraw/zinc/02/72/53/662027253.db2.gz QZMZQIWZKKQBFB-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000965972016 662027251 /nfs/dbraw/zinc/02/72/51/662027251.db2.gz QZMZQIWZKKQBFB-KLHDSHLOSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000965986609 662027893 /nfs/dbraw/zinc/02/78/93/662027893.db2.gz CGOJBNSDWBRQAH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000965986610 662027922 /nfs/dbraw/zinc/02/79/22/662027922.db2.gz CGOJBNSDWBRQAH-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966108303 662029772 /nfs/dbraw/zinc/02/97/72/662029772.db2.gz VPCSSJKFQRLREZ-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966108307 662029755 /nfs/dbraw/zinc/02/97/55/662029755.db2.gz VPCSSJKFQRLREZ-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967834862 662049592 /nfs/dbraw/zinc/04/95/92/662049592.db2.gz VTGYCYKZYAIYHY-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967834862 662049589 /nfs/dbraw/zinc/04/95/89/662049589.db2.gz VTGYCYKZYAIYHY-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1CCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000967834862 662049587 /nfs/dbraw/zinc/04/95/87/662049587.db2.gz VTGYCYKZYAIYHY-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1CCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000967834862 662049584 /nfs/dbraw/zinc/04/95/84/662049584.db2.gz VTGYCYKZYAIYHY-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967834864 662049690 /nfs/dbraw/zinc/04/96/90/662049690.db2.gz VTGYCYKZYAIYHY-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967834864 662049687 /nfs/dbraw/zinc/04/96/87/662049687.db2.gz VTGYCYKZYAIYHY-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000967834864 662049684 /nfs/dbraw/zinc/04/96/84/662049684.db2.gz VTGYCYKZYAIYHY-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000967834864 662049681 /nfs/dbraw/zinc/04/96/81/662049681.db2.gz VTGYCYKZYAIYHY-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967980431 662051452 /nfs/dbraw/zinc/05/14/52/662051452.db2.gz USDBCFMRQHRCBS-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967980431 662051448 /nfs/dbraw/zinc/05/14/48/662051448.db2.gz USDBCFMRQHRCBS-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000967980431 662051444 /nfs/dbraw/zinc/05/14/44/662051444.db2.gz USDBCFMRQHRCBS-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000967980431 662051441 /nfs/dbraw/zinc/05/14/41/662051441.db2.gz USDBCFMRQHRCBS-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967980434 662051320 /nfs/dbraw/zinc/05/13/20/662051320.db2.gz USDBCFMRQHRCBS-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000967980434 662051314 /nfs/dbraw/zinc/05/13/14/662051314.db2.gz USDBCFMRQHRCBS-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000967980434 662051310 /nfs/dbraw/zinc/05/13/10/662051310.db2.gz USDBCFMRQHRCBS-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000967980434 662051305 /nfs/dbraw/zinc/05/13/05/662051305.db2.gz USDBCFMRQHRCBS-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000968014228 662052408 /nfs/dbraw/zinc/05/24/08/662052408.db2.gz ISLHIZJNHNUGRY-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000968014228 662052405 /nfs/dbraw/zinc/05/24/05/662052405.db2.gz ISLHIZJNHNUGRY-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968014228 662052400 /nfs/dbraw/zinc/05/24/00/662052400.db2.gz ISLHIZJNHNUGRY-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968014228 662052396 /nfs/dbraw/zinc/05/23/96/662052396.db2.gz ISLHIZJNHNUGRY-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000968014229 662052567 /nfs/dbraw/zinc/05/25/67/662052567.db2.gz ISLHIZJNHNUGRY-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000968014229 662052564 /nfs/dbraw/zinc/05/25/64/662052564.db2.gz ISLHIZJNHNUGRY-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968014229 662052560 /nfs/dbraw/zinc/05/25/60/662052560.db2.gz ISLHIZJNHNUGRY-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968014229 662052556 /nfs/dbraw/zinc/05/25/56/662052556.db2.gz ISLHIZJNHNUGRY-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000968091333 662053731 /nfs/dbraw/zinc/05/37/31/662053731.db2.gz RHTCAUWXMZDWDT-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000968091333 662053730 /nfs/dbraw/zinc/05/37/30/662053730.db2.gz RHTCAUWXMZDWDT-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000968091333 662053729 /nfs/dbraw/zinc/05/37/29/662053729.db2.gz RHTCAUWXMZDWDT-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000968091333 662053728 /nfs/dbraw/zinc/05/37/28/662053728.db2.gz RHTCAUWXMZDWDT-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000968094237 662054119 /nfs/dbraw/zinc/05/41/19/662054119.db2.gz AOXKURDGYZLJCP-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000968094237 662054117 /nfs/dbraw/zinc/05/41/17/662054117.db2.gz AOXKURDGYZLJCP-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968094237 662054114 /nfs/dbraw/zinc/05/41/14/662054114.db2.gz AOXKURDGYZLJCP-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000968094237 662054111 /nfs/dbraw/zinc/05/41/11/662054111.db2.gz AOXKURDGYZLJCP-IIAWOOMASA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000968094240 662054136 /nfs/dbraw/zinc/05/41/36/662054136.db2.gz AOXKURDGYZLJCP-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000968094240 662054133 /nfs/dbraw/zinc/05/41/33/662054133.db2.gz AOXKURDGYZLJCP-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000968094240 662054130 /nfs/dbraw/zinc/05/41/30/662054130.db2.gz AOXKURDGYZLJCP-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000968094240 662054127 /nfs/dbraw/zinc/05/41/27/662054127.db2.gz AOXKURDGYZLJCP-IJEWVQPXSA-N 2 1 352.479 -0.284 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000968096420 662053833 /nfs/dbraw/zinc/05/38/33/662053833.db2.gz KNYILFYHLCUDJV-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000968096420 662053829 /nfs/dbraw/zinc/05/38/29/662053829.db2.gz KNYILFYHLCUDJV-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000968098106 662053983 /nfs/dbraw/zinc/05/39/83/662053983.db2.gz RHTCAUWXMZDWDT-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000968098106 662053981 /nfs/dbraw/zinc/05/39/81/662053981.db2.gz RHTCAUWXMZDWDT-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000968098106 662053978 /nfs/dbraw/zinc/05/39/78/662053978.db2.gz RHTCAUWXMZDWDT-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000968098106 662053975 /nfs/dbraw/zinc/05/39/75/662053975.db2.gz RHTCAUWXMZDWDT-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2O)CC1 ZINC000968452695 662063176 /nfs/dbraw/zinc/06/31/76/662063176.db2.gz NVOCQQGOCFDWQU-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2O)CC1 ZINC000968452696 662063133 /nfs/dbraw/zinc/06/31/33/662063133.db2.gz NVOCQQGOCFDWQU-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968455706 662063111 /nfs/dbraw/zinc/06/31/11/662063111.db2.gz AEESTNQPBBFLMA-BMFZPTHFSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968455707 662063216 /nfs/dbraw/zinc/06/32/16/662063216.db2.gz AEESTNQPBBFLMA-IMJJTQAJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968466328 662064206 /nfs/dbraw/zinc/06/42/06/662064206.db2.gz FROZUCBXEMSAAG-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968466329 662063987 /nfs/dbraw/zinc/06/39/87/662063987.db2.gz FROZUCBXEMSAAG-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)CC[N@H+]1C ZINC000968466371 662063966 /nfs/dbraw/zinc/06/39/66/662063966.db2.gz GXNZOPSKKWLSSO-MIGQKNRLSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466733 662064444 /nfs/dbraw/zinc/06/44/44/662064444.db2.gz RBEKPBGFQWZWEQ-BMFZPTHFSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466734 662064438 /nfs/dbraw/zinc/06/44/38/662064438.db2.gz RBEKPBGFQWZWEQ-IMJJTQAJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC000968466848 662064487 /nfs/dbraw/zinc/06/44/87/662064487.db2.gz UBRRCEKHTVSHMJ-CVEARBPZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968616959 662073612 /nfs/dbraw/zinc/07/36/12/662073612.db2.gz HWIUWEGADWXWMR-ILXRZTDVSA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968616960 662073377 /nfs/dbraw/zinc/07/33/77/662073377.db2.gz HWIUWEGADWXWMR-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)CCC1 ZINC000968622781 662074476 /nfs/dbraw/zinc/07/44/76/662074476.db2.gz GZNKMNIGGTWWGV-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)CCC1 ZINC000968622782 662074413 /nfs/dbraw/zinc/07/44/13/662074413.db2.gz GZNKMNIGGTWWGV-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)CC1 ZINC000968623941 662074661 /nfs/dbraw/zinc/07/46/61/662074661.db2.gz ZHPLVZZZQRQLEC-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)CC1 ZINC000968623943 662074958 /nfs/dbraw/zinc/07/49/58/662074958.db2.gz ZHPLVZZZQRQLEC-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629621 662075273 /nfs/dbraw/zinc/07/52/73/662075273.db2.gz OKNQKWRKIYLCDI-OAGGEKHMSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629621 662075272 /nfs/dbraw/zinc/07/52/72/662075272.db2.gz OKNQKWRKIYLCDI-OAGGEKHMSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629621 662075271 /nfs/dbraw/zinc/07/52/71/662075271.db2.gz OKNQKWRKIYLCDI-OAGGEKHMSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629622 662075346 /nfs/dbraw/zinc/07/53/46/662075346.db2.gz OKNQKWRKIYLCDI-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629622 662075345 /nfs/dbraw/zinc/07/53/45/662075345.db2.gz OKNQKWRKIYLCDI-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629622 662075342 /nfs/dbraw/zinc/07/53/42/662075342.db2.gz OKNQKWRKIYLCDI-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC000968728045 662081653 /nfs/dbraw/zinc/08/16/53/662081653.db2.gz AOUWJQHAQWNMRM-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000968737654 662081925 /nfs/dbraw/zinc/08/19/25/662081925.db2.gz DHKBNFVBWFYBLM-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC000968737939 662081872 /nfs/dbraw/zinc/08/18/72/662081872.db2.gz JPEPQAMYSYCXHH-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC000968951362 662099147 /nfs/dbraw/zinc/09/91/47/662099147.db2.gz OILOZIBCYOFKBR-IJEWVQPXSA-N 2 1 351.451 -0.534 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC000968951363 662099238 /nfs/dbraw/zinc/09/92/38/662099238.db2.gz OILOZIBCYOFKBR-YCPHGPKFSA-N 2 1 351.451 -0.534 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC000969023578 662103011 /nfs/dbraw/zinc/10/30/11/662103011.db2.gz SIXHXBYVZLAXFD-ILXRZTDVSA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC000969023579 662102904 /nfs/dbraw/zinc/10/29/04/662102904.db2.gz SIXHXBYVZLAXFD-KFWWJZLASA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC000969025317 662103266 /nfs/dbraw/zinc/10/32/66/662103266.db2.gz YVBMMOFLPALPIE-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC000969025318 662103242 /nfs/dbraw/zinc/10/32/42/662103242.db2.gz YVBMMOFLPALPIE-ZNMIVQPWSA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000969066598 662105235 /nfs/dbraw/zinc/10/52/35/662105235.db2.gz CHJZBVRWFIZHCZ-KFWWJZLASA-N 2 1 350.463 -0.888 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000969066599 662105269 /nfs/dbraw/zinc/10/52/69/662105269.db2.gz CHJZBVRWFIZHCZ-ZNMIVQPWSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000969069188 662105663 /nfs/dbraw/zinc/10/56/63/662105663.db2.gz MSRQNGAHCQORHC-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000969069188 662105660 /nfs/dbraw/zinc/10/56/60/662105660.db2.gz MSRQNGAHCQORHC-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071854 662105496 /nfs/dbraw/zinc/10/54/96/662105496.db2.gz JWCXXSOEIHDIKI-DAXOMENPSA-N 2 1 350.467 -0.195 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071854 662105493 /nfs/dbraw/zinc/10/54/93/662105493.db2.gz JWCXXSOEIHDIKI-DAXOMENPSA-N 2 1 350.467 -0.195 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC000969072088 662105561 /nfs/dbraw/zinc/10/55/61/662105561.db2.gz WNGFJHYYDDTKLG-MGPQQGTHSA-N 2 1 352.435 -0.955 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC000969072088 662105560 /nfs/dbraw/zinc/10/55/60/662105560.db2.gz WNGFJHYYDDTKLG-MGPQQGTHSA-N 2 1 352.435 -0.955 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000969073123 662105920 /nfs/dbraw/zinc/10/59/20/662105920.db2.gz IGMFWCYCDSZJEX-BMFZPTHFSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000969073125 662105781 /nfs/dbraw/zinc/10/57/81/662105781.db2.gz IGMFWCYCDSZJEX-IMJJTQAJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073917 662105811 /nfs/dbraw/zinc/10/58/11/662105811.db2.gz WFHAEWOEFBNJHF-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073918 662105896 /nfs/dbraw/zinc/10/58/96/662105896.db2.gz WFHAEWOEFBNJHF-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106274 /nfs/dbraw/zinc/10/62/74/662106274.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106272 /nfs/dbraw/zinc/10/62/72/662106272.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106269 /nfs/dbraw/zinc/10/62/69/662106269.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106159 /nfs/dbraw/zinc/10/61/59/662106159.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106158 /nfs/dbraw/zinc/10/61/58/662106158.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106156 /nfs/dbraw/zinc/10/61/56/662106156.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969089919 662107004 /nfs/dbraw/zinc/10/70/04/662107004.db2.gz CYDNXHBQLXWMKM-ILXRZTDVSA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969089920 662107039 /nfs/dbraw/zinc/10/70/39/662107039.db2.gz CYDNXHBQLXWMKM-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCC1 ZINC000969090098 662106968 /nfs/dbraw/zinc/10/69/68/662106968.db2.gz LGQRDQLNYVYIGO-CABCVRRESA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969090343 662107284 /nfs/dbraw/zinc/10/72/84/662107284.db2.gz WBFNSNIIHPMITR-KFWWJZLASA-N 2 1 350.463 -0.888 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969090344 662107267 /nfs/dbraw/zinc/10/72/67/662107267.db2.gz WBFNSNIIHPMITR-ZNMIVQPWSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092780 662107202 /nfs/dbraw/zinc/10/72/02/662107202.db2.gz SBLCOIBTBXRYLT-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092781 662107299 /nfs/dbraw/zinc/10/72/99/662107299.db2.gz SBLCOIBTBXRYLT-ZNMIVQPWSA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092883 662107324 /nfs/dbraw/zinc/10/73/24/662107324.db2.gz WYGZMGSCENCBKY-KFWWJZLASA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092884 662107309 /nfs/dbraw/zinc/10/73/09/662107309.db2.gz WYGZMGSCENCBKY-ZNMIVQPWSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CC[N@H+]1C ZINC000969094797 662107187 /nfs/dbraw/zinc/10/71/87/662107187.db2.gz FPSWUHSVVYAJPA-TUVASFSCSA-N 2 1 350.463 -0.890 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000969508315 657152665 /nfs/dbraw/zinc/15/26/65/657152665.db2.gz HZHSRWNYGYRNGQ-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000969508316 657152733 /nfs/dbraw/zinc/15/27/33/657152733.db2.gz HZHSRWNYGYRNGQ-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969508767 657153259 /nfs/dbraw/zinc/15/32/59/657153259.db2.gz QHGIRTQUPXFNFB-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969508770 657153356 /nfs/dbraw/zinc/15/33/56/657153356.db2.gz QHGIRTQUPXFNFB-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)CC[NH+]1C ZINC000969547565 657160746 /nfs/dbraw/zinc/16/07/46/657160746.db2.gz XGGLBJOUJJBDIB-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CC[NH+]1C ZINC000969547565 657160740 /nfs/dbraw/zinc/16/07/40/657160740.db2.gz XGGLBJOUJJBDIB-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)CC[N@H+]1C ZINC000969547565 657160726 /nfs/dbraw/zinc/16/07/26/657160726.db2.gz XGGLBJOUJJBDIB-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969699717 657174988 /nfs/dbraw/zinc/17/49/88/657174988.db2.gz MKTRQSXXFMSZCX-GZBFAFLISA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969699722 657175071 /nfs/dbraw/zinc/17/50/71/657175071.db2.gz MKTRQSXXFMSZCX-UMVBOHGHSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969701866 657174742 /nfs/dbraw/zinc/17/47/42/657174742.db2.gz YWIMNCCCAOBPME-OUCADQQQSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969701868 657174902 /nfs/dbraw/zinc/17/49/02/657174902.db2.gz YWIMNCCCAOBPME-YRGRVCCFSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC000969705177 657175775 /nfs/dbraw/zinc/17/57/75/657175775.db2.gz UHVUWVHECRRRGK-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC000969705177 657175769 /nfs/dbraw/zinc/17/57/69/657175769.db2.gz UHVUWVHECRRRGK-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC000969705181 657175932 /nfs/dbraw/zinc/17/59/32/657175932.db2.gz UHVUWVHECRRRGK-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC000969705181 657175928 /nfs/dbraw/zinc/17/59/28/657175928.db2.gz UHVUWVHECRRRGK-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969801456 657188261 /nfs/dbraw/zinc/18/82/61/657188261.db2.gz ZTAXNGNIPQTBOC-FXUDXRNXSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969801457 657188488 /nfs/dbraw/zinc/18/84/88/657188488.db2.gz ZTAXNGNIPQTBOC-UGUYLWEFSA-N 2 1 354.495 -0.255 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000969806804 657189250 /nfs/dbraw/zinc/18/92/50/657189250.db2.gz RYVFYHHSBIZNNO-UGUYLWEFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000969806804 657189244 /nfs/dbraw/zinc/18/92/44/657189244.db2.gz RYVFYHHSBIZNNO-UGUYLWEFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC000969806804 657189241 /nfs/dbraw/zinc/18/92/41/657189241.db2.gz RYVFYHHSBIZNNO-UGUYLWEFSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1)[NH+](C)C ZINC000969957426 657223334 /nfs/dbraw/zinc/22/33/34/657223334.db2.gz JDAHELMRFXHFSH-RBZJEDDUSA-N 2 1 354.495 -0.255 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CC[NH+]1C ZINC000969958402 657221963 /nfs/dbraw/zinc/22/19/63/657221963.db2.gz UKPMNJYSZIDFRO-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)CC[NH+]1C ZINC000969958402 657221959 /nfs/dbraw/zinc/22/19/59/657221959.db2.gz UKPMNJYSZIDFRO-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2O)CC[N@H+]1C ZINC000969958402 657221954 /nfs/dbraw/zinc/22/19/54/657221954.db2.gz UKPMNJYSZIDFRO-RBZJEDDUSA-N 2 1 352.479 -0.501 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1)[NH+](C)C ZINC000969964285 657224108 /nfs/dbraw/zinc/22/41/08/657224108.db2.gz JDAHELMRFXHFSH-QMHWVQJVSA-N 2 1 354.495 -0.255 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@H+]1C ZINC000969964762 657223347 /nfs/dbraw/zinc/22/33/47/657223347.db2.gz NVNJDEWSZNXGPU-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)CC1 ZINC000970071862 657238652 /nfs/dbraw/zinc/23/86/52/657238652.db2.gz PBZDBIQUMLYILS-OAGGEKHMSA-N 2 1 352.479 -0.642 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)CC1 ZINC000970071864 657238338 /nfs/dbraw/zinc/23/83/38/657238338.db2.gz PBZDBIQUMLYILS-XHSDSOJGSA-N 2 1 352.479 -0.642 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CC1 ZINC000970072453 657238563 /nfs/dbraw/zinc/23/85/63/657238563.db2.gz UWMWYMMCIAJELE-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)CC1 ZINC000970072457 657238378 /nfs/dbraw/zinc/23/83/78/657238378.db2.gz UWMWYMMCIAJELE-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000970636012 657334214 /nfs/dbraw/zinc/33/42/14/657334214.db2.gz LOWRURZXXCDIQE-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000970636013 657334524 /nfs/dbraw/zinc/33/45/24/657334524.db2.gz LOWRURZXXCDIQE-ZNMIVQPWSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000970636334 657334095 /nfs/dbraw/zinc/33/40/95/657334095.db2.gz PDQSIOUVAIYMAX-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000970636334 657334085 /nfs/dbraw/zinc/33/40/85/657334085.db2.gz PDQSIOUVAIYMAX-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000970636334 657334078 /nfs/dbraw/zinc/33/40/78/657334078.db2.gz PDQSIOUVAIYMAX-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000970636335 657334307 /nfs/dbraw/zinc/33/43/07/657334307.db2.gz PDQSIOUVAIYMAX-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000970636335 657334302 /nfs/dbraw/zinc/33/43/02/657334302.db2.gz PDQSIOUVAIYMAX-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000970636335 657334297 /nfs/dbraw/zinc/33/42/97/657334297.db2.gz PDQSIOUVAIYMAX-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970636423 657334544 /nfs/dbraw/zinc/33/45/44/657334544.db2.gz QKKQQFWUMMYEFU-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970636427 657334333 /nfs/dbraw/zinc/33/43/33/657334333.db2.gz QKKQQFWUMMYEFU-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000970638531 657335005 /nfs/dbraw/zinc/33/50/05/657335005.db2.gz RKJOAMOLNZLTRX-KFWWJZLASA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000970638533 657335777 /nfs/dbraw/zinc/33/57/77/657335777.db2.gz RKJOAMOLNZLTRX-ZNMIVQPWSA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000970643633 657336367 /nfs/dbraw/zinc/33/63/67/657336367.db2.gz OUPOXKDOYFBKSG-KFWWJZLASA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000970643634 657336351 /nfs/dbraw/zinc/33/63/51/657336351.db2.gz OUPOXKDOYFBKSG-ZNMIVQPWSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000970646260 657337538 /nfs/dbraw/zinc/33/75/38/657337538.db2.gz MVSAETXOFKKMQM-BMFZPTHFSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000970646261 657338082 /nfs/dbraw/zinc/33/80/82/657338082.db2.gz MVSAETXOFKKMQM-IMJJTQAJSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)C1 ZINC000970647130 657337772 /nfs/dbraw/zinc/33/77/72/657337772.db2.gz TWHILTMQRYGNON-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)C1 ZINC000970647131 657337467 /nfs/dbraw/zinc/33/74/67/657337467.db2.gz TWHILTMQRYGNON-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649679 657339497 /nfs/dbraw/zinc/33/94/97/657339497.db2.gz VREXVWKUOROYGK-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649679 657339490 /nfs/dbraw/zinc/33/94/90/657339490.db2.gz VREXVWKUOROYGK-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649679 657339479 /nfs/dbraw/zinc/33/94/79/657339479.db2.gz VREXVWKUOROYGK-BMFZPTHFSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649682 657339923 /nfs/dbraw/zinc/33/99/23/657339923.db2.gz VREXVWKUOROYGK-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649682 657339916 /nfs/dbraw/zinc/33/99/16/657339916.db2.gz VREXVWKUOROYGK-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649682 657339912 /nfs/dbraw/zinc/33/99/12/657339912.db2.gz VREXVWKUOROYGK-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654413 657342308 /nfs/dbraw/zinc/34/23/08/657342308.db2.gz SWTNUASHJKMBSP-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654413 657342300 /nfs/dbraw/zinc/34/23/00/657342300.db2.gz SWTNUASHJKMBSP-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654413 657342288 /nfs/dbraw/zinc/34/22/88/657342288.db2.gz SWTNUASHJKMBSP-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654414 657342444 /nfs/dbraw/zinc/34/24/44/657342444.db2.gz SWTNUASHJKMBSP-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654414 657342440 /nfs/dbraw/zinc/34/24/40/657342440.db2.gz SWTNUASHJKMBSP-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654414 657342432 /nfs/dbraw/zinc/34/24/32/657342432.db2.gz SWTNUASHJKMBSP-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)[NH+](C)C ZINC000970654477 657342361 /nfs/dbraw/zinc/34/23/61/657342361.db2.gz UXEFBPUCKUFUJF-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)[NH+](C)C ZINC000970656655 657340667 /nfs/dbraw/zinc/34/06/67/657340667.db2.gz UXEFBPUCKUFUJF-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000970657568 657341452 /nfs/dbraw/zinc/34/14/52/657341452.db2.gz XBDLQSIJCSCJBC-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657739 657341020 /nfs/dbraw/zinc/34/10/20/657341020.db2.gz ZKDUWDCMTPHPQH-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657739 657341010 /nfs/dbraw/zinc/34/10/10/657341010.db2.gz ZKDUWDCMTPHPQH-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657739 657340996 /nfs/dbraw/zinc/34/09/96/657340996.db2.gz ZKDUWDCMTPHPQH-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657741 657341619 /nfs/dbraw/zinc/34/16/19/657341619.db2.gz ZKDUWDCMTPHPQH-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657741 657341612 /nfs/dbraw/zinc/34/16/12/657341612.db2.gz ZKDUWDCMTPHPQH-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657741 657341609 /nfs/dbraw/zinc/34/16/09/657341609.db2.gz ZKDUWDCMTPHPQH-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971550948 657432110 /nfs/dbraw/zinc/43/21/10/657432110.db2.gz DGQORQUBQWMCNI-INMHGKMJSA-N 2 1 352.479 -0.249 20 0 FBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971550948 657432100 /nfs/dbraw/zinc/43/21/00/657432100.db2.gz DGQORQUBQWMCNI-INMHGKMJSA-N 2 1 352.479 -0.249 20 0 FBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971550949 657432163 /nfs/dbraw/zinc/43/21/63/657432163.db2.gz DGQORQUBQWMCNI-UXLLHSPISA-N 2 1 352.479 -0.249 20 0 FBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971550949 657432160 /nfs/dbraw/zinc/43/21/60/657432160.db2.gz DGQORQUBQWMCNI-UXLLHSPISA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)O1 ZINC000971781384 657458143 /nfs/dbraw/zinc/45/81/43/657458143.db2.gz IWEOMTPOJIOIMB-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCN3CCNC3=O)C2)O1 ZINC000971781384 657458137 /nfs/dbraw/zinc/45/81/37/657458137.db2.gz IWEOMTPOJIOIMB-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)O1 ZINC000971781384 657458133 /nfs/dbraw/zinc/45/81/33/657458133.db2.gz IWEOMTPOJIOIMB-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)O1 ZINC000971781384 657458126 /nfs/dbraw/zinc/45/81/26/657458126.db2.gz IWEOMTPOJIOIMB-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)O1 ZINC000971781385 657458571 /nfs/dbraw/zinc/45/85/71/657458571.db2.gz IWEOMTPOJIOIMB-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3CCNC3=O)C2)O1 ZINC000971781385 657458569 /nfs/dbraw/zinc/45/85/69/657458569.db2.gz IWEOMTPOJIOIMB-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)O1 ZINC000971781385 657458566 /nfs/dbraw/zinc/45/85/66/657458566.db2.gz IWEOMTPOJIOIMB-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)O1 ZINC000971781385 657458560 /nfs/dbraw/zinc/45/85/60/657458560.db2.gz IWEOMTPOJIOIMB-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)O1 ZINC000971781676 657458301 /nfs/dbraw/zinc/45/83/01/657458301.db2.gz LYONATWEJGERCC-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3CCCC3=O)C2)O1 ZINC000971781676 657458298 /nfs/dbraw/zinc/45/82/98/657458298.db2.gz LYONATWEJGERCC-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC000971781676 657458294 /nfs/dbraw/zinc/45/82/94/657458294.db2.gz LYONATWEJGERCC-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC000971781676 657458287 /nfs/dbraw/zinc/45/82/87/657458287.db2.gz LYONATWEJGERCC-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)O1 ZINC000971781677 657458505 /nfs/dbraw/zinc/45/85/05/657458505.db2.gz LYONATWEJGERCC-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCN3CCCC3=O)C2)O1 ZINC000971781677 657458501 /nfs/dbraw/zinc/45/85/01/657458501.db2.gz LYONATWEJGERCC-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC000971781677 657458498 /nfs/dbraw/zinc/45/84/98/657458498.db2.gz LYONATWEJGERCC-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC000971781677 657458493 /nfs/dbraw/zinc/45/84/93/657458493.db2.gz LYONATWEJGERCC-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000973127205 658419704 /nfs/dbraw/zinc/41/97/04/658419704.db2.gz WMCSCLBUMXYOLZ-GVRJEKJASA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000973127205 658419698 /nfs/dbraw/zinc/41/96/98/658419698.db2.gz WMCSCLBUMXYOLZ-GVRJEKJASA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000973127205 658419695 /nfs/dbraw/zinc/41/96/95/658419695.db2.gz WMCSCLBUMXYOLZ-GVRJEKJASA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000973127205 658419690 /nfs/dbraw/zinc/41/96/90/658419690.db2.gz WMCSCLBUMXYOLZ-GVRJEKJASA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000973127206 658419833 /nfs/dbraw/zinc/41/98/33/658419833.db2.gz WMCSCLBUMXYOLZ-RFBLXINOSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000973127206 658419827 /nfs/dbraw/zinc/41/98/27/658419827.db2.gz WMCSCLBUMXYOLZ-RFBLXINOSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000973127206 658419821 /nfs/dbraw/zinc/41/98/21/658419821.db2.gz WMCSCLBUMXYOLZ-RFBLXINOSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000973127206 658419815 /nfs/dbraw/zinc/41/98/15/658419815.db2.gz WMCSCLBUMXYOLZ-RFBLXINOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000973329978 658471755 /nfs/dbraw/zinc/47/17/55/658471755.db2.gz AEJSQCPAWBWGLN-VUVWGQCBSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000973329978 658471752 /nfs/dbraw/zinc/47/17/52/658471752.db2.gz AEJSQCPAWBWGLN-VUVWGQCBSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000973329978 658471747 /nfs/dbraw/zinc/47/17/47/658471747.db2.gz AEJSQCPAWBWGLN-VUVWGQCBSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000973329978 658471742 /nfs/dbraw/zinc/47/17/42/658471742.db2.gz AEJSQCPAWBWGLN-VUVWGQCBSA-N 2 1 352.479 -0.191 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000973332319 658473468 /nfs/dbraw/zinc/47/34/68/658473468.db2.gz LIUOPQPJQXIVTP-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000973332319 658473460 /nfs/dbraw/zinc/47/34/60/658473460.db2.gz LIUOPQPJQXIVTP-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973332319 658473454 /nfs/dbraw/zinc/47/34/54/658473454.db2.gz LIUOPQPJQXIVTP-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973332319 658473449 /nfs/dbraw/zinc/47/34/49/658473449.db2.gz LIUOPQPJQXIVTP-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000973332321 658473429 /nfs/dbraw/zinc/47/34/29/658473429.db2.gz LIUOPQPJQXIVTP-QCODTGAPSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000973332321 658473419 /nfs/dbraw/zinc/47/34/19/658473419.db2.gz LIUOPQPJQXIVTP-QCODTGAPSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973332321 658473416 /nfs/dbraw/zinc/47/34/16/658473416.db2.gz LIUOPQPJQXIVTP-QCODTGAPSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973332321 658473410 /nfs/dbraw/zinc/47/34/10/658473410.db2.gz LIUOPQPJQXIVTP-QCODTGAPSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000973413252 658483547 /nfs/dbraw/zinc/48/35/47/658483547.db2.gz AWBDNRKEZVZLIN-KBUPBQIOSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000973413252 658483541 /nfs/dbraw/zinc/48/35/41/658483541.db2.gz AWBDNRKEZVZLIN-KBUPBQIOSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000973413538 658483767 /nfs/dbraw/zinc/48/37/67/658483767.db2.gz NWJVNVICUKWGRY-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000973413538 658483759 /nfs/dbraw/zinc/48/37/59/658483759.db2.gz NWJVNVICUKWGRY-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000973413538 658483755 /nfs/dbraw/zinc/48/37/55/658483755.db2.gz NWJVNVICUKWGRY-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000973413538 658483747 /nfs/dbraw/zinc/48/37/47/658483747.db2.gz NWJVNVICUKWGRY-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000973413539 658483072 /nfs/dbraw/zinc/48/30/72/658483072.db2.gz NWJVNVICUKWGRY-YIDVYQOGSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000973413539 658483064 /nfs/dbraw/zinc/48/30/64/658483064.db2.gz NWJVNVICUKWGRY-YIDVYQOGSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000973413539 658483054 /nfs/dbraw/zinc/48/30/54/658483054.db2.gz NWJVNVICUKWGRY-YIDVYQOGSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000973413539 658483034 /nfs/dbraw/zinc/48/30/34/658483034.db2.gz NWJVNVICUKWGRY-YIDVYQOGSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973415427 658483468 /nfs/dbraw/zinc/48/34/68/658483468.db2.gz HGLWWWKYQNCDJH-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973415427 658483461 /nfs/dbraw/zinc/48/34/61/658483461.db2.gz HGLWWWKYQNCDJH-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000973415427 658483454 /nfs/dbraw/zinc/48/34/54/658483454.db2.gz HGLWWWKYQNCDJH-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000973415427 658483448 /nfs/dbraw/zinc/48/34/48/658483448.db2.gz HGLWWWKYQNCDJH-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973415434 658483359 /nfs/dbraw/zinc/48/33/59/658483359.db2.gz HGLWWWKYQNCDJH-XFIYOXNOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973415434 658483352 /nfs/dbraw/zinc/48/33/52/658483352.db2.gz HGLWWWKYQNCDJH-XFIYOXNOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000973415434 658483345 /nfs/dbraw/zinc/48/33/45/658483345.db2.gz HGLWWWKYQNCDJH-XFIYOXNOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000973415434 658483339 /nfs/dbraw/zinc/48/33/39/658483339.db2.gz HGLWWWKYQNCDJH-XFIYOXNOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000973416111 658484532 /nfs/dbraw/zinc/48/45/32/658484532.db2.gz LFIOFVOXMDGOKT-DTZQCDIJSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000973416111 658484525 /nfs/dbraw/zinc/48/45/25/658484525.db2.gz LFIOFVOXMDGOKT-DTZQCDIJSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973417410 658484710 /nfs/dbraw/zinc/48/47/10/658484710.db2.gz SQNFPWWPPDRCII-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973417410 658484700 /nfs/dbraw/zinc/48/47/00/658484700.db2.gz SQNFPWWPPDRCII-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973417410 658484690 /nfs/dbraw/zinc/48/46/90/658484690.db2.gz SQNFPWWPPDRCII-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973417410 658484683 /nfs/dbraw/zinc/48/46/83/658484683.db2.gz SQNFPWWPPDRCII-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973417411 658485228 /nfs/dbraw/zinc/48/52/28/658485228.db2.gz SQNFPWWPPDRCII-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973417411 658485221 /nfs/dbraw/zinc/48/52/21/658485221.db2.gz SQNFPWWPPDRCII-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973417411 658485213 /nfs/dbraw/zinc/48/52/13/658485213.db2.gz SQNFPWWPPDRCII-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973417411 658485206 /nfs/dbraw/zinc/48/52/06/658485206.db2.gz SQNFPWWPPDRCII-XFIYOXNOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000973417673 658484441 /nfs/dbraw/zinc/48/44/41/658484441.db2.gz YOYHGVCKYSVKMG-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000973417673 658484434 /nfs/dbraw/zinc/48/44/34/658484434.db2.gz YOYHGVCKYSVKMG-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000973417673 658484426 /nfs/dbraw/zinc/48/44/26/658484426.db2.gz YOYHGVCKYSVKMG-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000973417673 658484415 /nfs/dbraw/zinc/48/44/15/658484415.db2.gz YOYHGVCKYSVKMG-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000973417674 658484501 /nfs/dbraw/zinc/48/45/01/658484501.db2.gz YOYHGVCKYSVKMG-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000973417674 658484495 /nfs/dbraw/zinc/48/44/95/658484495.db2.gz YOYHGVCKYSVKMG-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000973417674 658484490 /nfs/dbraw/zinc/48/44/90/658484490.db2.gz YOYHGVCKYSVKMG-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000973417674 658484474 /nfs/dbraw/zinc/48/44/74/658484474.db2.gz YOYHGVCKYSVKMG-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000973989998 658659996 /nfs/dbraw/zinc/65/99/96/658659996.db2.gz WMCSCLBUMXYOLZ-NPJQDHAYSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000973989998 658659988 /nfs/dbraw/zinc/65/99/88/658659988.db2.gz WMCSCLBUMXYOLZ-NPJQDHAYSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000973989998 658659984 /nfs/dbraw/zinc/65/99/84/658659984.db2.gz WMCSCLBUMXYOLZ-NPJQDHAYSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000973989998 658659977 /nfs/dbraw/zinc/65/99/77/658659977.db2.gz WMCSCLBUMXYOLZ-NPJQDHAYSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000973989999 658660563 /nfs/dbraw/zinc/66/05/63/658660563.db2.gz WMCSCLBUMXYOLZ-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000973989999 658660560 /nfs/dbraw/zinc/66/05/60/658660560.db2.gz WMCSCLBUMXYOLZ-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000973989999 658660554 /nfs/dbraw/zinc/66/05/54/658660554.db2.gz WMCSCLBUMXYOLZ-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000973989999 658660546 /nfs/dbraw/zinc/66/05/46/658660546.db2.gz WMCSCLBUMXYOLZ-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000974185799 658670087 /nfs/dbraw/zinc/67/00/87/658670087.db2.gz AEJSQCPAWBWGLN-YTQIUSBHSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000974185799 658670084 /nfs/dbraw/zinc/67/00/84/658670084.db2.gz AEJSQCPAWBWGLN-YTQIUSBHSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000974185799 658670080 /nfs/dbraw/zinc/67/00/80/658670080.db2.gz AEJSQCPAWBWGLN-YTQIUSBHSA-N 2 1 352.479 -0.191 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000974185799 658670077 /nfs/dbraw/zinc/67/00/77/658670077.db2.gz AEJSQCPAWBWGLN-YTQIUSBHSA-N 2 1 352.479 -0.191 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000974186955 658669747 /nfs/dbraw/zinc/66/97/47/658669747.db2.gz LIUOPQPJQXIVTP-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000974186955 658669740 /nfs/dbraw/zinc/66/97/40/658669740.db2.gz LIUOPQPJQXIVTP-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974186955 658669734 /nfs/dbraw/zinc/66/97/34/658669734.db2.gz LIUOPQPJQXIVTP-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974186955 658669729 /nfs/dbraw/zinc/66/97/29/658669729.db2.gz LIUOPQPJQXIVTP-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000974186956 658669957 /nfs/dbraw/zinc/66/99/57/658669957.db2.gz LIUOPQPJQXIVTP-LJIZCISZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000974186956 658669952 /nfs/dbraw/zinc/66/99/52/658669952.db2.gz LIUOPQPJQXIVTP-LJIZCISZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974186956 658669943 /nfs/dbraw/zinc/66/99/43/658669943.db2.gz LIUOPQPJQXIVTP-LJIZCISZSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974186956 658669937 /nfs/dbraw/zinc/66/99/37/658669937.db2.gz LIUOPQPJQXIVTP-LJIZCISZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000974272172 658674616 /nfs/dbraw/zinc/67/46/16/658674616.db2.gz AWBDNRKEZVZLIN-APIJFGDWSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000974272172 658674604 /nfs/dbraw/zinc/67/46/04/658674604.db2.gz AWBDNRKEZVZLIN-APIJFGDWSA-N 2 1 350.463 -0.435 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000974272257 658674764 /nfs/dbraw/zinc/67/47/64/658674764.db2.gz YOYHGVCKYSVKMG-IBEHDNSVSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000974272257 658674747 /nfs/dbraw/zinc/67/47/47/658674747.db2.gz YOYHGVCKYSVKMG-IBEHDNSVSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000974272257 658674740 /nfs/dbraw/zinc/67/47/40/658674740.db2.gz YOYHGVCKYSVKMG-IBEHDNSVSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000974272257 658674732 /nfs/dbraw/zinc/67/47/32/658674732.db2.gz YOYHGVCKYSVKMG-IBEHDNSVSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000974272264 658674976 /nfs/dbraw/zinc/67/49/76/658674976.db2.gz YOYHGVCKYSVKMG-RBGFHDKUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000974272264 658674969 /nfs/dbraw/zinc/67/49/69/658674969.db2.gz YOYHGVCKYSVKMG-RBGFHDKUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000974272264 658674963 /nfs/dbraw/zinc/67/49/63/658674963.db2.gz YOYHGVCKYSVKMG-RBGFHDKUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000974272264 658674958 /nfs/dbraw/zinc/67/49/58/658674958.db2.gz YOYHGVCKYSVKMG-RBGFHDKUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974272537 658676239 /nfs/dbraw/zinc/67/62/39/658676239.db2.gz HGLWWWKYQNCDJH-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974272537 658676230 /nfs/dbraw/zinc/67/62/30/658676230.db2.gz HGLWWWKYQNCDJH-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000974272537 658676222 /nfs/dbraw/zinc/67/62/22/658676222.db2.gz HGLWWWKYQNCDJH-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000974272537 658676209 /nfs/dbraw/zinc/67/62/09/658676209.db2.gz HGLWWWKYQNCDJH-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974272538 658675837 /nfs/dbraw/zinc/67/58/37/658675837.db2.gz HGLWWWKYQNCDJH-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974272538 658675832 /nfs/dbraw/zinc/67/58/32/658675832.db2.gz HGLWWWKYQNCDJH-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000974272538 658675826 /nfs/dbraw/zinc/67/58/26/658675826.db2.gz HGLWWWKYQNCDJH-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000974272538 658675819 /nfs/dbraw/zinc/67/58/19/658675819.db2.gz HGLWWWKYQNCDJH-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000974272654 658676119 /nfs/dbraw/zinc/67/61/19/658676119.db2.gz NWJVNVICUKWGRY-DGADGQDISA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000974272654 658676112 /nfs/dbraw/zinc/67/61/12/658676112.db2.gz NWJVNVICUKWGRY-DGADGQDISA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000974272654 658676103 /nfs/dbraw/zinc/67/61/03/658676103.db2.gz NWJVNVICUKWGRY-DGADGQDISA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000974272654 658676098 /nfs/dbraw/zinc/67/60/98/658676098.db2.gz NWJVNVICUKWGRY-DGADGQDISA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000974272655 658675760 /nfs/dbraw/zinc/67/57/60/658675760.db2.gz NWJVNVICUKWGRY-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000974272655 658675753 /nfs/dbraw/zinc/67/57/53/658675753.db2.gz NWJVNVICUKWGRY-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000974272655 658675750 /nfs/dbraw/zinc/67/57/50/658675750.db2.gz NWJVNVICUKWGRY-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000974272655 658675748 /nfs/dbraw/zinc/67/57/48/658675748.db2.gz NWJVNVICUKWGRY-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000974273291 658675871 /nfs/dbraw/zinc/67/58/71/658675871.db2.gz LFIOFVOXMDGOKT-DMRZNYOFSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000974273291 658675867 /nfs/dbraw/zinc/67/58/67/658675867.db2.gz LFIOFVOXMDGOKT-DMRZNYOFSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974273366 658675983 /nfs/dbraw/zinc/67/59/83/658675983.db2.gz SQNFPWWPPDRCII-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974273366 658675977 /nfs/dbraw/zinc/67/59/77/658675977.db2.gz SQNFPWWPPDRCII-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974273366 658675974 /nfs/dbraw/zinc/67/59/74/658675974.db2.gz SQNFPWWPPDRCII-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974273366 658675970 /nfs/dbraw/zinc/67/59/70/658675970.db2.gz SQNFPWWPPDRCII-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974273367 658676327 /nfs/dbraw/zinc/67/63/27/658676327.db2.gz SQNFPWWPPDRCII-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974273367 658676319 /nfs/dbraw/zinc/67/63/19/658676319.db2.gz SQNFPWWPPDRCII-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974273367 658676311 /nfs/dbraw/zinc/67/63/11/658676311.db2.gz SQNFPWWPPDRCII-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974273367 658676305 /nfs/dbraw/zinc/67/63/05/658676305.db2.gz SQNFPWWPPDRCII-ZVDSWSACSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCn3cncn3)CC2(C)C)O1 ZINC000974722426 658713207 /nfs/dbraw/zinc/71/32/07/658713207.db2.gz FLZCGGYKLCSLKY-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCn3cncn3)CC2(C)C)O1 ZINC000974722426 658713201 /nfs/dbraw/zinc/71/32/01/658713201.db2.gz FLZCGGYKLCSLKY-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCn3cncn3)CC2(C)C)O1 ZINC000974722426 658713196 /nfs/dbraw/zinc/71/31/96/658713196.db2.gz FLZCGGYKLCSLKY-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCn3cncn3)CC2(C)C)O1 ZINC000974722426 658713194 /nfs/dbraw/zinc/71/31/94/658713194.db2.gz FLZCGGYKLCSLKY-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)CC2(C)C)O1 ZINC000974722435 658713128 /nfs/dbraw/zinc/71/31/28/658713128.db2.gz FLZCGGYKLCSLKY-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)CC2(C)C)O1 ZINC000974722435 658713124 /nfs/dbraw/zinc/71/31/24/658713124.db2.gz FLZCGGYKLCSLKY-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)CC2(C)C)O1 ZINC000974722435 658713118 /nfs/dbraw/zinc/71/31/18/658713118.db2.gz FLZCGGYKLCSLKY-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)CC2(C)C)O1 ZINC000974722435 658713090 /nfs/dbraw/zinc/71/30/90/658713090.db2.gz FLZCGGYKLCSLKY-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000976279540 658767233 /nfs/dbraw/zinc/76/72/33/658767233.db2.gz IXZCYWZLOAWANX-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000976279540 658767230 /nfs/dbraw/zinc/76/72/30/658767230.db2.gz IXZCYWZLOAWANX-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000976279540 658767225 /nfs/dbraw/zinc/76/72/25/658767225.db2.gz IXZCYWZLOAWANX-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000976279540 658767220 /nfs/dbraw/zinc/76/72/20/658767220.db2.gz IXZCYWZLOAWANX-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC000976279541 658767106 /nfs/dbraw/zinc/76/71/06/658767106.db2.gz IXZCYWZLOAWANX-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC000976279541 658767102 /nfs/dbraw/zinc/76/71/02/658767102.db2.gz IXZCYWZLOAWANX-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)O1 ZINC000976279541 658767098 /nfs/dbraw/zinc/76/70/98/658767098.db2.gz IXZCYWZLOAWANX-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)O1 ZINC000976279541 658767089 /nfs/dbraw/zinc/76/70/89/658767089.db2.gz IXZCYWZLOAWANX-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000976315422 658769520 /nfs/dbraw/zinc/76/95/20/658769520.db2.gz XDTXXVZJCYLNMX-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000976315422 658769515 /nfs/dbraw/zinc/76/95/15/658769515.db2.gz XDTXXVZJCYLNMX-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000976315422 658769511 /nfs/dbraw/zinc/76/95/11/658769511.db2.gz XDTXXVZJCYLNMX-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000976315422 658769508 /nfs/dbraw/zinc/76/95/08/658769508.db2.gz XDTXXVZJCYLNMX-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000976315423 658769349 /nfs/dbraw/zinc/76/93/49/658769349.db2.gz XDTXXVZJCYLNMX-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000976315423 658769345 /nfs/dbraw/zinc/76/93/45/658769345.db2.gz XDTXXVZJCYLNMX-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000976315423 658769340 /nfs/dbraw/zinc/76/93/40/658769340.db2.gz XDTXXVZJCYLNMX-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000976315423 658769337 /nfs/dbraw/zinc/76/93/37/658769337.db2.gz XDTXXVZJCYLNMX-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)O1 ZINC000976530597 658774693 /nfs/dbraw/zinc/77/46/93/658774693.db2.gz BSJSGRBMEICYSA-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)O1 ZINC000976530597 658774686 /nfs/dbraw/zinc/77/46/86/658774686.db2.gz BSJSGRBMEICYSA-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC000976530597 658774680 /nfs/dbraw/zinc/77/46/80/658774680.db2.gz BSJSGRBMEICYSA-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC000976530597 658774675 /nfs/dbraw/zinc/77/46/75/658774675.db2.gz BSJSGRBMEICYSA-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)O1 ZINC000976530599 658774497 /nfs/dbraw/zinc/77/44/97/658774497.db2.gz BSJSGRBMEICYSA-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)O1 ZINC000976530599 658774490 /nfs/dbraw/zinc/77/44/90/658774490.db2.gz BSJSGRBMEICYSA-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)O1 ZINC000976530599 658774485 /nfs/dbraw/zinc/77/44/85/658774485.db2.gz BSJSGRBMEICYSA-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)O1 ZINC000976530599 658774480 /nfs/dbraw/zinc/77/44/80/658774480.db2.gz BSJSGRBMEICYSA-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)O1 ZINC000976543918 658775158 /nfs/dbraw/zinc/77/51/58/658775158.db2.gz BNVDFTWGPBHIHV-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)O1 ZINC000976543918 658775151 /nfs/dbraw/zinc/77/51/51/658775151.db2.gz BNVDFTWGPBHIHV-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)CC[NH+]1C ZINC000976595514 658778864 /nfs/dbraw/zinc/77/88/64/658778864.db2.gz LYZLSYJLYNZYDC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)CC[NH+]1C ZINC000976595514 658778858 /nfs/dbraw/zinc/77/88/58/658778858.db2.gz LYZLSYJLYNZYDC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)CC[N@H+]1C ZINC000976595514 658778854 /nfs/dbraw/zinc/77/88/54/658778854.db2.gz LYZLSYJLYNZYDC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)CC[N@@H+]1C ZINC000976595514 658778850 /nfs/dbraw/zinc/77/88/50/658778850.db2.gz LYZLSYJLYNZYDC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)CC[NH+]1C ZINC000976595516 658779043 /nfs/dbraw/zinc/77/90/43/658779043.db2.gz LYZLSYJLYNZYDC-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)CC[NH+]1C ZINC000976595516 658779035 /nfs/dbraw/zinc/77/90/35/658779035.db2.gz LYZLSYJLYNZYDC-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)CC[N@H+]1C ZINC000976595516 658779029 /nfs/dbraw/zinc/77/90/29/658779029.db2.gz LYZLSYJLYNZYDC-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)CC[N@@H+]1C ZINC000976595516 658779022 /nfs/dbraw/zinc/77/90/22/658779022.db2.gz LYZLSYJLYNZYDC-ODICJLLRSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)O1 ZINC000976756473 658787795 /nfs/dbraw/zinc/78/77/95/658787795.db2.gz NKVAQIBATCDVJU-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)O1 ZINC000976756473 658787792 /nfs/dbraw/zinc/78/77/92/658787792.db2.gz NKVAQIBATCDVJU-GAGVYUBLSA-N 2 1 350.463 -0.626 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000976756634 658787511 /nfs/dbraw/zinc/78/75/11/658787511.db2.gz QJPGTKPMNZQPCY-AQGHMYMLSA-N 2 1 352.479 -0.381 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000976756634 658787505 /nfs/dbraw/zinc/78/75/05/658787505.db2.gz QJPGTKPMNZQPCY-AQGHMYMLSA-N 2 1 352.479 -0.381 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000976756636 658787884 /nfs/dbraw/zinc/78/78/84/658787884.db2.gz QJPGTKPMNZQPCY-XMEMRUQMSA-N 2 1 352.479 -0.381 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000976756636 658787881 /nfs/dbraw/zinc/78/78/81/658787881.db2.gz QJPGTKPMNZQPCY-XMEMRUQMSA-N 2 1 352.479 -0.381 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)O1 ZINC000976757856 658784837 /nfs/dbraw/zinc/78/48/37/658784837.db2.gz WKYGYTHBPJSGPP-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)O1 ZINC000976757856 658784829 /nfs/dbraw/zinc/78/48/29/658784829.db2.gz WKYGYTHBPJSGPP-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)O1 ZINC000976757856 658784822 /nfs/dbraw/zinc/78/48/22/658784822.db2.gz WKYGYTHBPJSGPP-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)O1 ZINC000976757856 658784815 /nfs/dbraw/zinc/78/48/15/658784815.db2.gz WKYGYTHBPJSGPP-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)O1 ZINC000976757858 658784576 /nfs/dbraw/zinc/78/45/76/658784576.db2.gz WKYGYTHBPJSGPP-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)O1 ZINC000976757858 658784569 /nfs/dbraw/zinc/78/45/69/658784569.db2.gz WKYGYTHBPJSGPP-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]32)O1 ZINC000976757858 658784563 /nfs/dbraw/zinc/78/45/63/658784563.db2.gz WKYGYTHBPJSGPP-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]32)O1 ZINC000976757858 658784557 /nfs/dbraw/zinc/78/45/57/658784557.db2.gz WKYGYTHBPJSGPP-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)O1 ZINC000976757905 658784889 /nfs/dbraw/zinc/78/48/89/658784889.db2.gz XMPSQTVOQUVICC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)O1 ZINC000976757905 658784885 /nfs/dbraw/zinc/78/48/85/658784885.db2.gz XMPSQTVOQUVICC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]32)O1 ZINC000976757905 658784878 /nfs/dbraw/zinc/78/48/78/658784878.db2.gz XMPSQTVOQUVICC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]32)O1 ZINC000976757905 658784873 /nfs/dbraw/zinc/78/48/73/658784873.db2.gz XMPSQTVOQUVICC-FWXGHANASA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)O1 ZINC000976757907 658784713 /nfs/dbraw/zinc/78/47/13/658784713.db2.gz XMPSQTVOQUVICC-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)O1 ZINC000976757907 658784707 /nfs/dbraw/zinc/78/47/07/658784707.db2.gz XMPSQTVOQUVICC-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]32)O1 ZINC000976757907 658784703 /nfs/dbraw/zinc/78/47/03/658784703.db2.gz XMPSQTVOQUVICC-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]32)O1 ZINC000976757907 658784698 /nfs/dbraw/zinc/78/46/98/658784698.db2.gz XMPSQTVOQUVICC-TWHJKIGZSA-N 2 1 350.463 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+]2CCCC2)O1 ZINC000977925087 658807338 /nfs/dbraw/zinc/80/73/38/658807338.db2.gz LDSYCWTWEFOPDU-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+]2CCCC2)O1 ZINC000977925087 658807325 /nfs/dbraw/zinc/80/73/25/658807325.db2.gz LDSYCWTWEFOPDU-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+]2CCCC2)O1 ZINC000977925088 658807019 /nfs/dbraw/zinc/80/70/19/658807019.db2.gz LDSYCWTWEFOPDU-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+]2CCCC2)O1 ZINC000977925088 658807002 /nfs/dbraw/zinc/80/70/02/658807002.db2.gz LDSYCWTWEFOPDU-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)O1 ZINC000978350792 658812797 /nfs/dbraw/zinc/81/27/97/658812797.db2.gz HPXZJIKRRVNYGD-DGXTUMSLSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)O1 ZINC000978350792 658812785 /nfs/dbraw/zinc/81/27/85/658812785.db2.gz HPXZJIKRRVNYGD-DGXTUMSLSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)O1 ZINC000978350792 658812772 /nfs/dbraw/zinc/81/27/72/658812772.db2.gz HPXZJIKRRVNYGD-DGXTUMSLSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)O1 ZINC000978350792 658812760 /nfs/dbraw/zinc/81/27/60/658812760.db2.gz HPXZJIKRRVNYGD-DGXTUMSLSA-N 2 1 350.463 -0.768 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)O1 ZINC000978356838 658813298 /nfs/dbraw/zinc/81/32/98/658813298.db2.gz PJNYQIPVLDJSTB-CSOUEMRRSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)O1 ZINC000978356838 658813285 /nfs/dbraw/zinc/81/32/85/658813285.db2.gz PJNYQIPVLDJSTB-CSOUEMRRSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)O1 ZINC000978356838 658813273 /nfs/dbraw/zinc/81/32/73/658813273.db2.gz PJNYQIPVLDJSTB-CSOUEMRRSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)O1 ZINC000978356838 658813259 /nfs/dbraw/zinc/81/32/59/658813259.db2.gz PJNYQIPVLDJSTB-CSOUEMRRSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000978665839 658817193 /nfs/dbraw/zinc/81/71/93/658817193.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000978665839 658817179 /nfs/dbraw/zinc/81/71/79/658817179.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000978665839 658817166 /nfs/dbraw/zinc/81/71/66/658817166.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000978665839 658817139 /nfs/dbraw/zinc/81/71/39/658817139.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000978665841 658817803 /nfs/dbraw/zinc/81/78/03/658817803.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000978665841 658817790 /nfs/dbraw/zinc/81/77/90/658817790.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000978665841 658817778 /nfs/dbraw/zinc/81/77/78/658817778.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000978665841 658817757 /nfs/dbraw/zinc/81/77/57/658817757.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978687882 658818244 /nfs/dbraw/zinc/81/82/44/658818244.db2.gz NOVSAQRYFVXDOA-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978687882 658818233 /nfs/dbraw/zinc/81/82/33/658818233.db2.gz NOVSAQRYFVXDOA-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978687882 658818220 /nfs/dbraw/zinc/81/82/20/658818220.db2.gz NOVSAQRYFVXDOA-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978687882 658818206 /nfs/dbraw/zinc/81/82/06/658818206.db2.gz NOVSAQRYFVXDOA-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978687888 658818324 /nfs/dbraw/zinc/81/83/24/658818324.db2.gz NOVSAQRYFVXDOA-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978687888 658818311 /nfs/dbraw/zinc/81/83/11/658818311.db2.gz NOVSAQRYFVXDOA-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978687888 658818297 /nfs/dbraw/zinc/81/82/97/658818297.db2.gz NOVSAQRYFVXDOA-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978687888 658818285 /nfs/dbraw/zinc/81/82/85/658818285.db2.gz NOVSAQRYFVXDOA-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978844443 658821640 /nfs/dbraw/zinc/82/16/40/658821640.db2.gz WKSVNBPPSJFXQU-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000978844443 658821630 /nfs/dbraw/zinc/82/16/30/658821630.db2.gz WKSVNBPPSJFXQU-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978844443 658821622 /nfs/dbraw/zinc/82/16/22/658821622.db2.gz WKSVNBPPSJFXQU-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978844443 658821612 /nfs/dbraw/zinc/82/16/12/658821612.db2.gz WKSVNBPPSJFXQU-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978844445 658821244 /nfs/dbraw/zinc/82/12/44/658821244.db2.gz WKSVNBPPSJFXQU-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000978844445 658821231 /nfs/dbraw/zinc/82/12/31/658821231.db2.gz WKSVNBPPSJFXQU-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978844445 658821217 /nfs/dbraw/zinc/82/12/17/658821217.db2.gz WKSVNBPPSJFXQU-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978844445 658821207 /nfs/dbraw/zinc/82/12/07/658821207.db2.gz WKSVNBPPSJFXQU-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978870360 658821521 /nfs/dbraw/zinc/82/15/21/658821521.db2.gz LCNDYMXBTXYJFO-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978870360 658821512 /nfs/dbraw/zinc/82/15/12/658821512.db2.gz LCNDYMXBTXYJFO-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978870360 658821506 /nfs/dbraw/zinc/82/15/06/658821506.db2.gz LCNDYMXBTXYJFO-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978870360 658821497 /nfs/dbraw/zinc/82/14/97/658821497.db2.gz LCNDYMXBTXYJFO-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978870366 658821887 /nfs/dbraw/zinc/82/18/87/658821887.db2.gz LCNDYMXBTXYJFO-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978870366 658821877 /nfs/dbraw/zinc/82/18/77/658821877.db2.gz LCNDYMXBTXYJFO-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978870366 658821861 /nfs/dbraw/zinc/82/18/61/658821861.db2.gz LCNDYMXBTXYJFO-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978870366 658821855 /nfs/dbraw/zinc/82/18/55/658821855.db2.gz LCNDYMXBTXYJFO-LJIZCISZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978963385 658826116 /nfs/dbraw/zinc/82/61/16/658826116.db2.gz AEBYITMCFRLIIW-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000978963385 658826108 /nfs/dbraw/zinc/82/61/08/658826108.db2.gz AEBYITMCFRLIIW-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978963385 658826098 /nfs/dbraw/zinc/82/60/98/658826098.db2.gz AEBYITMCFRLIIW-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978963385 658826088 /nfs/dbraw/zinc/82/60/88/658826088.db2.gz AEBYITMCFRLIIW-DGXTUMSLSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978963387 658826330 /nfs/dbraw/zinc/82/63/30/658826330.db2.gz AEBYITMCFRLIIW-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000978963387 658826322 /nfs/dbraw/zinc/82/63/22/658826322.db2.gz AEBYITMCFRLIIW-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978963387 658826315 /nfs/dbraw/zinc/82/63/15/658826315.db2.gz AEBYITMCFRLIIW-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978963387 658826306 /nfs/dbraw/zinc/82/63/06/658826306.db2.gz AEBYITMCFRLIIW-RBGFHDKUSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000978964861 658825935 /nfs/dbraw/zinc/82/59/35/658825935.db2.gz MUBFWMQKIWZSFE-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000978964861 658825926 /nfs/dbraw/zinc/82/59/26/658825926.db2.gz MUBFWMQKIWZSFE-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000978964861 658825919 /nfs/dbraw/zinc/82/59/19/658825919.db2.gz MUBFWMQKIWZSFE-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000978964861 658825911 /nfs/dbraw/zinc/82/59/11/658825911.db2.gz MUBFWMQKIWZSFE-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000978973619 658825773 /nfs/dbraw/zinc/82/57/73/658825773.db2.gz WVVYUOJAGJRRSM-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000978973619 658825757 /nfs/dbraw/zinc/82/57/57/658825757.db2.gz WVVYUOJAGJRRSM-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000978977863 658826401 /nfs/dbraw/zinc/82/64/01/658826401.db2.gz MUBFWMQKIWZSFE-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000978977863 658826395 /nfs/dbraw/zinc/82/63/95/658826395.db2.gz MUBFWMQKIWZSFE-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000978977863 658826380 /nfs/dbraw/zinc/82/63/80/658826380.db2.gz MUBFWMQKIWZSFE-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000978977863 658826367 /nfs/dbraw/zinc/82/63/67/658826367.db2.gz MUBFWMQKIWZSFE-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000979575837 658836183 /nfs/dbraw/zinc/83/61/83/658836183.db2.gz CZRMAAMLKRTSNV-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000979575837 658836173 /nfs/dbraw/zinc/83/61/73/658836173.db2.gz CZRMAAMLKRTSNV-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000979575837 658836158 /nfs/dbraw/zinc/83/61/58/658836158.db2.gz CZRMAAMLKRTSNV-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000979575837 658836144 /nfs/dbraw/zinc/83/61/44/658836144.db2.gz CZRMAAMLKRTSNV-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000979575840 658836104 /nfs/dbraw/zinc/83/61/04/658836104.db2.gz CZRMAAMLKRTSNV-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000979575840 658836099 /nfs/dbraw/zinc/83/60/99/658836099.db2.gz CZRMAAMLKRTSNV-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000979575840 658836084 /nfs/dbraw/zinc/83/60/84/658836084.db2.gz CZRMAAMLKRTSNV-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000979575840 658836077 /nfs/dbraw/zinc/83/60/77/658836077.db2.gz CZRMAAMLKRTSNV-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979605220 658836479 /nfs/dbraw/zinc/83/64/79/658836479.db2.gz NOVSAQRYFVXDOA-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979605220 658836471 /nfs/dbraw/zinc/83/64/71/658836471.db2.gz NOVSAQRYFVXDOA-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979605220 658836463 /nfs/dbraw/zinc/83/64/63/658836463.db2.gz NOVSAQRYFVXDOA-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979605220 658836452 /nfs/dbraw/zinc/83/64/52/658836452.db2.gz NOVSAQRYFVXDOA-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979605223 658836619 /nfs/dbraw/zinc/83/66/19/658836619.db2.gz NOVSAQRYFVXDOA-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979605223 658836612 /nfs/dbraw/zinc/83/66/12/658836612.db2.gz NOVSAQRYFVXDOA-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979605223 658836606 /nfs/dbraw/zinc/83/66/06/658836606.db2.gz NOVSAQRYFVXDOA-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979605223 658836597 /nfs/dbraw/zinc/83/65/97/658836597.db2.gz NOVSAQRYFVXDOA-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979781465 658838073 /nfs/dbraw/zinc/83/80/73/658838073.db2.gz WKSVNBPPSJFXQU-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000979781465 658838067 /nfs/dbraw/zinc/83/80/67/658838067.db2.gz WKSVNBPPSJFXQU-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979781465 658838060 /nfs/dbraw/zinc/83/80/60/658838060.db2.gz WKSVNBPPSJFXQU-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979781465 658838053 /nfs/dbraw/zinc/83/80/53/658838053.db2.gz WKSVNBPPSJFXQU-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979781484 658837673 /nfs/dbraw/zinc/83/76/73/658837673.db2.gz WKSVNBPPSJFXQU-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000979781484 658837664 /nfs/dbraw/zinc/83/76/64/658837664.db2.gz WKSVNBPPSJFXQU-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979781484 658837659 /nfs/dbraw/zinc/83/76/59/658837659.db2.gz WKSVNBPPSJFXQU-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979781484 658837651 /nfs/dbraw/zinc/83/76/51/658837651.db2.gz WKSVNBPPSJFXQU-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979856920 658840195 /nfs/dbraw/zinc/84/01/95/658840195.db2.gz LCNDYMXBTXYJFO-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979856920 658840188 /nfs/dbraw/zinc/84/01/88/658840188.db2.gz LCNDYMXBTXYJFO-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979856920 658840179 /nfs/dbraw/zinc/84/01/79/658840179.db2.gz LCNDYMXBTXYJFO-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979856920 658840174 /nfs/dbraw/zinc/84/01/74/658840174.db2.gz LCNDYMXBTXYJFO-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979856922 658840593 /nfs/dbraw/zinc/84/05/93/658840593.db2.gz LCNDYMXBTXYJFO-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979856922 658840589 /nfs/dbraw/zinc/84/05/89/658840589.db2.gz LCNDYMXBTXYJFO-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979856922 658840586 /nfs/dbraw/zinc/84/05/86/658840586.db2.gz LCNDYMXBTXYJFO-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979856922 658840581 /nfs/dbraw/zinc/84/05/81/658840581.db2.gz LCNDYMXBTXYJFO-QCODTGAPSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000979978695 658842687 /nfs/dbraw/zinc/84/26/87/658842687.db2.gz MUBFWMQKIWZSFE-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000979978695 658842678 /nfs/dbraw/zinc/84/26/78/658842678.db2.gz MUBFWMQKIWZSFE-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000979978695 658842673 /nfs/dbraw/zinc/84/26/73/658842673.db2.gz MUBFWMQKIWZSFE-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000979978695 658842660 /nfs/dbraw/zinc/84/26/60/658842660.db2.gz MUBFWMQKIWZSFE-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979985872 658844173 /nfs/dbraw/zinc/84/41/73/658844173.db2.gz AEBYITMCFRLIIW-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000979985872 658844162 /nfs/dbraw/zinc/84/41/62/658844162.db2.gz AEBYITMCFRLIIW-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979985872 658844152 /nfs/dbraw/zinc/84/41/52/658844152.db2.gz AEBYITMCFRLIIW-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979985872 658844138 /nfs/dbraw/zinc/84/41/38/658844138.db2.gz AEBYITMCFRLIIW-IBEHDNSVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979985875 658844496 /nfs/dbraw/zinc/84/44/96/658844496.db2.gz AEBYITMCFRLIIW-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000979985875 658844490 /nfs/dbraw/zinc/84/44/90/658844490.db2.gz AEBYITMCFRLIIW-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979985875 658844484 /nfs/dbraw/zinc/84/44/84/658844484.db2.gz AEBYITMCFRLIIW-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979985875 658844480 /nfs/dbraw/zinc/84/44/80/658844480.db2.gz AEBYITMCFRLIIW-OXGONZEZSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000979993892 658844044 /nfs/dbraw/zinc/84/40/44/658844044.db2.gz MUBFWMQKIWZSFE-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000979993892 658844035 /nfs/dbraw/zinc/84/40/35/658844035.db2.gz MUBFWMQKIWZSFE-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000979993892 658844017 /nfs/dbraw/zinc/84/40/17/658844017.db2.gz MUBFWMQKIWZSFE-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC000979993892 658844005 /nfs/dbraw/zinc/84/40/05/658844005.db2.gz MUBFWMQKIWZSFE-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000979997783 658844399 /nfs/dbraw/zinc/84/43/99/658844399.db2.gz WVVYUOJAGJRRSM-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000979997783 658844391 /nfs/dbraw/zinc/84/43/91/658844391.db2.gz WVVYUOJAGJRRSM-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)CC[NH+]1C ZINC000981196568 658869806 /nfs/dbraw/zinc/86/98/06/658869806.db2.gz LOQBDKWFJWZJGW-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCN3C(=O)CNC3=O)CC2)CC[NH+]1C ZINC000981196568 658869798 /nfs/dbraw/zinc/86/97/98/658869798.db2.gz LOQBDKWFJWZJGW-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN3C(=O)CNC3=O)CC2)CC[N@H+]1C ZINC000981196568 658869788 /nfs/dbraw/zinc/86/97/88/658869788.db2.gz LOQBDKWFJWZJGW-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN3C(=O)CNC3=O)CC2)CC[N@@H+]1C ZINC000981196568 658869780 /nfs/dbraw/zinc/86/97/80/658869780.db2.gz LOQBDKWFJWZJGW-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841401 658893755 /nfs/dbraw/zinc/89/37/55/658893755.db2.gz BKNNZTCIAVDZQS-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841401 658893748 /nfs/dbraw/zinc/89/37/48/658893748.db2.gz BKNNZTCIAVDZQS-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841401 658893743 /nfs/dbraw/zinc/89/37/43/658893743.db2.gz BKNNZTCIAVDZQS-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841401 658893734 /nfs/dbraw/zinc/89/37/34/658893734.db2.gz BKNNZTCIAVDZQS-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841403 658894345 /nfs/dbraw/zinc/89/43/45/658894345.db2.gz BKNNZTCIAVDZQS-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841403 658894341 /nfs/dbraw/zinc/89/43/41/658894341.db2.gz BKNNZTCIAVDZQS-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841403 658894332 /nfs/dbraw/zinc/89/43/32/658894332.db2.gz BKNNZTCIAVDZQS-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841403 658894321 /nfs/dbraw/zinc/89/43/21/658894321.db2.gz BKNNZTCIAVDZQS-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000982778309 658932999 /nfs/dbraw/zinc/93/29/99/658932999.db2.gz KMSYOQHURCLXDC-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000982778309 658932998 /nfs/dbraw/zinc/93/29/98/658932998.db2.gz KMSYOQHURCLXDC-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000982778310 658932986 /nfs/dbraw/zinc/93/29/86/658932986.db2.gz KMSYOQHURCLXDC-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000982778310 658932984 /nfs/dbraw/zinc/93/29/84/658932984.db2.gz KMSYOQHURCLXDC-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC000983714867 658987453 /nfs/dbraw/zinc/98/74/53/658987453.db2.gz ZOWYXUGRWWKGDU-XDQVBPFNSA-N 2 1 350.467 -0.177 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC000984006488 659007334 /nfs/dbraw/zinc/00/73/34/659007334.db2.gz IFEVGEOZTLVSCM-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC000984006488 659007319 /nfs/dbraw/zinc/00/73/19/659007319.db2.gz IFEVGEOZTLVSCM-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC000984006495 659007003 /nfs/dbraw/zinc/00/70/03/659007003.db2.gz IFEVGEOZTLVSCM-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC000984006495 659006997 /nfs/dbraw/zinc/00/69/97/659006997.db2.gz IFEVGEOZTLVSCM-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nnnn1C ZINC000984014433 659007149 /nfs/dbraw/zinc/00/71/49/659007149.db2.gz KTUXZYNZKMSYCB-DHGKCCLASA-N 2 1 351.455 -0.525 20 0 FBADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nnnn1C ZINC000984014433 659007142 /nfs/dbraw/zinc/00/71/42/659007142.db2.gz KTUXZYNZKMSYCB-DHGKCCLASA-N 2 1 351.455 -0.525 20 0 FBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nnnn1C ZINC000984014435 659006869 /nfs/dbraw/zinc/00/68/69/659006869.db2.gz KTUXZYNZKMSYCB-XVIXHAIJSA-N 2 1 351.455 -0.525 20 0 FBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nnnn1C ZINC000984014435 659006862 /nfs/dbraw/zinc/00/68/62/659006862.db2.gz KTUXZYNZKMSYCB-XVIXHAIJSA-N 2 1 351.455 -0.525 20 0 FBADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984014527 659007204 /nfs/dbraw/zinc/00/72/04/659007204.db2.gz MEUBOFUBYJEQDC-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984014527 659007201 /nfs/dbraw/zinc/00/72/01/659007201.db2.gz MEUBOFUBYJEQDC-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984014528 659006825 /nfs/dbraw/zinc/00/68/25/659006825.db2.gz MEUBOFUBYJEQDC-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984014528 659006815 /nfs/dbraw/zinc/00/68/15/659006815.db2.gz MEUBOFUBYJEQDC-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000985440233 659881050 /nfs/dbraw/zinc/88/10/50/659881050.db2.gz GCHRCYRQWDVNKU-TZMCWYRMSA-N 2 1 350.467 -0.129 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000985440233 659881046 /nfs/dbraw/zinc/88/10/46/659881046.db2.gz GCHRCYRQWDVNKU-TZMCWYRMSA-N 2 1 350.467 -0.129 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000985440233 659881043 /nfs/dbraw/zinc/88/10/43/659881043.db2.gz GCHRCYRQWDVNKU-TZMCWYRMSA-N 2 1 350.467 -0.129 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)O1 ZINC000985493246 659882699 /nfs/dbraw/zinc/88/26/99/659882699.db2.gz SHWIFLOUBXFXKC-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CC(=O)N3CCC3)CC2)O1 ZINC000985493246 659882698 /nfs/dbraw/zinc/88/26/98/659882698.db2.gz SHWIFLOUBXFXKC-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCC3)CC2)O1 ZINC000985493246 659882696 /nfs/dbraw/zinc/88/26/96/659882696.db2.gz SHWIFLOUBXFXKC-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCC3)CC2)O1 ZINC000985493246 659882694 /nfs/dbraw/zinc/88/26/94/659882694.db2.gz SHWIFLOUBXFXKC-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC000985497941 659883470 /nfs/dbraw/zinc/88/34/70/659883470.db2.gz YMSJJZCQXWYPKK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC000985497941 659883467 /nfs/dbraw/zinc/88/34/67/659883467.db2.gz YMSJJZCQXWYPKK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC000985497941 659883464 /nfs/dbraw/zinc/88/34/64/659883464.db2.gz YMSJJZCQXWYPKK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC000985497941 659883461 /nfs/dbraw/zinc/88/34/61/659883461.db2.gz YMSJJZCQXWYPKK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC000985497946 659883600 /nfs/dbraw/zinc/88/36/00/659883600.db2.gz YMSJJZCQXWYPKK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC000985497946 659883597 /nfs/dbraw/zinc/88/35/97/659883597.db2.gz YMSJJZCQXWYPKK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC000985497946 659883594 /nfs/dbraw/zinc/88/35/94/659883594.db2.gz YMSJJZCQXWYPKK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC000985497946 659883591 /nfs/dbraw/zinc/88/35/91/659883591.db2.gz YMSJJZCQXWYPKK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC000985498024 659883331 /nfs/dbraw/zinc/88/33/31/659883331.db2.gz ZIZYNVRHGJQNPG-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC000985498024 659883325 /nfs/dbraw/zinc/88/33/25/659883325.db2.gz ZIZYNVRHGJQNPG-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC000985498024 659883319 /nfs/dbraw/zinc/88/33/19/659883319.db2.gz ZIZYNVRHGJQNPG-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC000985498024 659883314 /nfs/dbraw/zinc/88/33/14/659883314.db2.gz ZIZYNVRHGJQNPG-FVQBIDKESA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC000985498030 659883369 /nfs/dbraw/zinc/88/33/69/659883369.db2.gz ZIZYNVRHGJQNPG-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC000985498030 659883365 /nfs/dbraw/zinc/88/33/65/659883365.db2.gz ZIZYNVRHGJQNPG-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC000985498030 659883361 /nfs/dbraw/zinc/88/33/61/659883361.db2.gz ZIZYNVRHGJQNPG-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC000985498030 659883357 /nfs/dbraw/zinc/88/33/57/659883357.db2.gz ZIZYNVRHGJQNPG-VNQPRFMTSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)O1 ZINC000985498061 659883284 /nfs/dbraw/zinc/88/32/84/659883284.db2.gz ZPUBDDDOTNDHFE-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CCn3cncn3)CC2)O1 ZINC000985498061 659883283 /nfs/dbraw/zinc/88/32/83/659883283.db2.gz ZPUBDDDOTNDHFE-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCn3cncn3)CC2)O1 ZINC000985498061 659883279 /nfs/dbraw/zinc/88/32/79/659883279.db2.gz ZPUBDDDOTNDHFE-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCn3cncn3)CC2)O1 ZINC000985498061 659883277 /nfs/dbraw/zinc/88/32/77/659883277.db2.gz ZPUBDDDOTNDHFE-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000987509208 659929331 /nfs/dbraw/zinc/92/93/31/659929331.db2.gz AGXMFBVSSZPRJO-KBMXLJTQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000987509208 659929328 /nfs/dbraw/zinc/92/93/28/659929328.db2.gz AGXMFBVSSZPRJO-KBMXLJTQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000987509210 659929420 /nfs/dbraw/zinc/92/94/20/659929420.db2.gz AGXMFBVSSZPRJO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000987509210 659929419 /nfs/dbraw/zinc/92/94/19/659929419.db2.gz AGXMFBVSSZPRJO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987519450 659929412 /nfs/dbraw/zinc/92/94/12/659929412.db2.gz WRMKXQUSKLIOOK-ILXRZTDVSA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987519450 659929410 /nfs/dbraw/zinc/92/94/10/659929410.db2.gz WRMKXQUSKLIOOK-ILXRZTDVSA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987519453 659929378 /nfs/dbraw/zinc/92/93/78/659929378.db2.gz WRMKXQUSKLIOOK-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987519453 659929377 /nfs/dbraw/zinc/92/93/77/659929377.db2.gz WRMKXQUSKLIOOK-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988091736 659936810 /nfs/dbraw/zinc/93/68/10/659936810.db2.gz PUIKOXDMYPAQKZ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988091736 659936807 /nfs/dbraw/zinc/93/68/07/659936807.db2.gz PUIKOXDMYPAQKZ-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988091738 659936832 /nfs/dbraw/zinc/93/68/32/659936832.db2.gz PUIKOXDMYPAQKZ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988091738 659936829 /nfs/dbraw/zinc/93/68/29/659936829.db2.gz PUIKOXDMYPAQKZ-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000988364860 659945089 /nfs/dbraw/zinc/94/50/89/659945089.db2.gz QVDRIESSSJZWLH-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000988364860 659945087 /nfs/dbraw/zinc/94/50/87/659945087.db2.gz QVDRIESSSJZWLH-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000988364863 659945047 /nfs/dbraw/zinc/94/50/47/659945047.db2.gz QVDRIESSSJZWLH-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000988364863 659945046 /nfs/dbraw/zinc/94/50/46/659945046.db2.gz QVDRIESSSJZWLH-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988754680 659953875 /nfs/dbraw/zinc/95/38/75/659953875.db2.gz IARJWGKFFNFVHZ-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988754680 659953872 /nfs/dbraw/zinc/95/38/72/659953872.db2.gz IARJWGKFFNFVHZ-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000989071179 659961477 /nfs/dbraw/zinc/96/14/77/659961477.db2.gz FYJCMIRRCIBNAF-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000989071179 659961476 /nfs/dbraw/zinc/96/14/76/659961476.db2.gz FYJCMIRRCIBNAF-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000989071179 659961475 /nfs/dbraw/zinc/96/14/75/659961475.db2.gz FYJCMIRRCIBNAF-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000989071179 659961474 /nfs/dbraw/zinc/96/14/74/659961474.db2.gz FYJCMIRRCIBNAF-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC000989181842 659963185 /nfs/dbraw/zinc/96/31/85/659963185.db2.gz QZMZQIWZKKQBFB-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000989181842 659963183 /nfs/dbraw/zinc/96/31/83/659963183.db2.gz QZMZQIWZKKQBFB-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000989181842 659963182 /nfs/dbraw/zinc/96/31/82/659963182.db2.gz QZMZQIWZKKQBFB-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC000989181842 659963181 /nfs/dbraw/zinc/96/31/81/659963181.db2.gz QZMZQIWZKKQBFB-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000991444023 660097402 /nfs/dbraw/zinc/09/74/02/660097402.db2.gz CVLGAQHTJPFOAO-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000991444023 660097400 /nfs/dbraw/zinc/09/74/00/660097400.db2.gz CVLGAQHTJPFOAO-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000991478937 660100174 /nfs/dbraw/zinc/10/01/74/660100174.db2.gz BKGJGYYRFNJQDV-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000991478937 660100172 /nfs/dbraw/zinc/10/01/72/660100172.db2.gz BKGJGYYRFNJQDV-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991478937 660100170 /nfs/dbraw/zinc/10/01/70/660100170.db2.gz BKGJGYYRFNJQDV-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991478937 660100169 /nfs/dbraw/zinc/10/01/69/660100169.db2.gz BKGJGYYRFNJQDV-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000991478941 660100056 /nfs/dbraw/zinc/10/00/56/660100056.db2.gz BKGJGYYRFNJQDV-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000991478941 660100054 /nfs/dbraw/zinc/10/00/54/660100054.db2.gz BKGJGYYRFNJQDV-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991478941 660100053 /nfs/dbraw/zinc/10/00/53/660100053.db2.gz BKGJGYYRFNJQDV-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991478941 660100050 /nfs/dbraw/zinc/10/00/50/660100050.db2.gz BKGJGYYRFNJQDV-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000991882342 660110001 /nfs/dbraw/zinc/11/00/01/660110001.db2.gz XRHCAMOWEMIPDQ-DAXOMENPSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000991882342 660109999 /nfs/dbraw/zinc/10/99/99/660109999.db2.gz XRHCAMOWEMIPDQ-DAXOMENPSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000991882352 660110045 /nfs/dbraw/zinc/11/00/45/660110045.db2.gz XRHCAMOWEMIPDQ-UHOFOFEASA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000991882352 660110043 /nfs/dbraw/zinc/11/00/43/660110043.db2.gz XRHCAMOWEMIPDQ-UHOFOFEASA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000992088726 660114570 /nfs/dbraw/zinc/11/45/70/660114570.db2.gz FJLXQHXOOOIFQY-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000992211962 660116202 /nfs/dbraw/zinc/11/62/02/660116202.db2.gz WVVYUOJAGJRRSM-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000992211962 660116201 /nfs/dbraw/zinc/11/62/01/660116201.db2.gz WVVYUOJAGJRRSM-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992315142 660118135 /nfs/dbraw/zinc/11/81/35/660118135.db2.gz WKIIIZRVHQJTNY-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992315142 660118134 /nfs/dbraw/zinc/11/81/34/660118134.db2.gz WKIIIZRVHQJTNY-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315142 660118132 /nfs/dbraw/zinc/11/81/32/660118132.db2.gz WKIIIZRVHQJTNY-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992315147 660118027 /nfs/dbraw/zinc/11/80/27/660118027.db2.gz WKIIIZRVHQJTNY-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992315147 660118026 /nfs/dbraw/zinc/11/80/26/660118026.db2.gz WKIIIZRVHQJTNY-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315147 660118025 /nfs/dbraw/zinc/11/80/25/660118025.db2.gz WKIIIZRVHQJTNY-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992319688 660118015 /nfs/dbraw/zinc/11/80/15/660118015.db2.gz QZVSGJSUUBXLSM-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992319694 660118119 /nfs/dbraw/zinc/11/81/19/660118119.db2.gz QZVSGJSUUBXLSM-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000992373134 660118565 /nfs/dbraw/zinc/11/85/65/660118565.db2.gz WMEFSAOAZAUJOS-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000992373134 660118563 /nfs/dbraw/zinc/11/85/63/660118563.db2.gz WMEFSAOAZAUJOS-JKSUJKDBSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000992398447 660118824 /nfs/dbraw/zinc/11/88/24/660118824.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000992398447 660118823 /nfs/dbraw/zinc/11/88/23/660118823.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000992398447 660118822 /nfs/dbraw/zinc/11/88/22/660118822.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000992398447 660118821 /nfs/dbraw/zinc/11/88/21/660118821.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000992398447 660118820 /nfs/dbraw/zinc/11/88/20/660118820.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992410377 660119279 /nfs/dbraw/zinc/11/92/79/660119279.db2.gz WNFYNVDVQWCXBO-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992410377 660119277 /nfs/dbraw/zinc/11/92/77/660119277.db2.gz WNFYNVDVQWCXBO-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000992410377 660119276 /nfs/dbraw/zinc/11/92/76/660119276.db2.gz WNFYNVDVQWCXBO-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000992410377 660119274 /nfs/dbraw/zinc/11/92/74/660119274.db2.gz WNFYNVDVQWCXBO-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992410388 660119322 /nfs/dbraw/zinc/11/93/22/660119322.db2.gz WNFYNVDVQWCXBO-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992410388 660119320 /nfs/dbraw/zinc/11/93/20/660119320.db2.gz WNFYNVDVQWCXBO-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000992410388 660119318 /nfs/dbraw/zinc/11/93/18/660119318.db2.gz WNFYNVDVQWCXBO-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000992410388 660119315 /nfs/dbraw/zinc/11/93/15/660119315.db2.gz WNFYNVDVQWCXBO-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992602873 660125868 /nfs/dbraw/zinc/12/58/68/660125868.db2.gz YXLWQBPYRDBOMD-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992602873 660125867 /nfs/dbraw/zinc/12/58/67/660125867.db2.gz YXLWQBPYRDBOMD-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000992602873 660125866 /nfs/dbraw/zinc/12/58/66/660125866.db2.gz YXLWQBPYRDBOMD-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000992602873 660125865 /nfs/dbraw/zinc/12/58/65/660125865.db2.gz YXLWQBPYRDBOMD-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992602874 660125884 /nfs/dbraw/zinc/12/58/84/660125884.db2.gz YXLWQBPYRDBOMD-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000992602874 660125882 /nfs/dbraw/zinc/12/58/82/660125882.db2.gz YXLWQBPYRDBOMD-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000992602874 660125880 /nfs/dbraw/zinc/12/58/80/660125880.db2.gz YXLWQBPYRDBOMD-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000992602874 660125879 /nfs/dbraw/zinc/12/58/79/660125879.db2.gz YXLWQBPYRDBOMD-XHSDSOJGSA-N 2 1 352.479 -0.236 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993809424 660170628 /nfs/dbraw/zinc/17/06/28/660170628.db2.gz VGMYQVNFTCWLGG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993809424 660170627 /nfs/dbraw/zinc/17/06/27/660170627.db2.gz VGMYQVNFTCWLGG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993809424 660170626 /nfs/dbraw/zinc/17/06/26/660170626.db2.gz VGMYQVNFTCWLGG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993809424 660170625 /nfs/dbraw/zinc/17/06/25/660170625.db2.gz VGMYQVNFTCWLGG-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993809429 660170649 /nfs/dbraw/zinc/17/06/49/660170649.db2.gz VGMYQVNFTCWLGG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993809429 660170648 /nfs/dbraw/zinc/17/06/48/660170648.db2.gz VGMYQVNFTCWLGG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993809429 660170647 /nfs/dbraw/zinc/17/06/47/660170647.db2.gz VGMYQVNFTCWLGG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993809429 660170646 /nfs/dbraw/zinc/17/06/46/660170646.db2.gz VGMYQVNFTCWLGG-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000993877424 660171686 /nfs/dbraw/zinc/17/16/86/660171686.db2.gz XTSPUPDLALWSBT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000993877424 660171685 /nfs/dbraw/zinc/17/16/85/660171685.db2.gz XTSPUPDLALWSBT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000993877426 660171692 /nfs/dbraw/zinc/17/16/92/660171692.db2.gz XTSPUPDLALWSBT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000993877426 660171691 /nfs/dbraw/zinc/17/16/91/660171691.db2.gz XTSPUPDLALWSBT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993879343 660171667 /nfs/dbraw/zinc/17/16/67/660171667.db2.gz LWWYDPDIJUJFTK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993879343 660171666 /nfs/dbraw/zinc/17/16/66/660171666.db2.gz LWWYDPDIJUJFTK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993879343 660171665 /nfs/dbraw/zinc/17/16/65/660171665.db2.gz LWWYDPDIJUJFTK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993879343 660171664 /nfs/dbraw/zinc/17/16/64/660171664.db2.gz LWWYDPDIJUJFTK-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993879349 660171657 /nfs/dbraw/zinc/17/16/57/660171657.db2.gz LWWYDPDIJUJFTK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993879349 660171656 /nfs/dbraw/zinc/17/16/56/660171656.db2.gz LWWYDPDIJUJFTK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993879349 660171655 /nfs/dbraw/zinc/17/16/55/660171655.db2.gz LWWYDPDIJUJFTK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993879349 660171654 /nfs/dbraw/zinc/17/16/54/660171654.db2.gz LWWYDPDIJUJFTK-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000994840127 660219435 /nfs/dbraw/zinc/21/94/35/660219435.db2.gz KXBPLWMPUHASDO-UKRRQHHQSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000994840127 660219434 /nfs/dbraw/zinc/21/94/34/660219434.db2.gz KXBPLWMPUHASDO-UKRRQHHQSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000994844103 660219375 /nfs/dbraw/zinc/21/93/75/660219375.db2.gz BCQJIELEVCLYPI-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000994844103 660219374 /nfs/dbraw/zinc/21/93/74/660219374.db2.gz BCQJIELEVCLYPI-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994844183 660219365 /nfs/dbraw/zinc/21/93/65/660219365.db2.gz CKJDOLQMOSQEQY-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994844183 660219364 /nfs/dbraw/zinc/21/93/64/660219364.db2.gz CKJDOLQMOSQEQY-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994844183 660219363 /nfs/dbraw/zinc/21/93/63/660219363.db2.gz CKJDOLQMOSQEQY-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000994844183 660219362 /nfs/dbraw/zinc/21/93/62/660219362.db2.gz CKJDOLQMOSQEQY-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994844187 660219405 /nfs/dbraw/zinc/21/94/05/660219405.db2.gz CKJDOLQMOSQEQY-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994844187 660219404 /nfs/dbraw/zinc/21/94/04/660219404.db2.gz CKJDOLQMOSQEQY-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994844187 660219403 /nfs/dbraw/zinc/21/94/03/660219403.db2.gz CKJDOLQMOSQEQY-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000994844187 660219402 /nfs/dbraw/zinc/21/94/02/660219402.db2.gz CKJDOLQMOSQEQY-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000994844597 660219464 /nfs/dbraw/zinc/21/94/64/660219464.db2.gz FLUMPWFCBPLPFI-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000994844597 660219463 /nfs/dbraw/zinc/21/94/63/660219463.db2.gz FLUMPWFCBPLPFI-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000994844597 660219461 /nfs/dbraw/zinc/21/94/61/660219461.db2.gz FLUMPWFCBPLPFI-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000994844597 660219460 /nfs/dbraw/zinc/21/94/60/660219460.db2.gz FLUMPWFCBPLPFI-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000994844597 660219458 /nfs/dbraw/zinc/21/94/58/660219458.db2.gz FLUMPWFCBPLPFI-SLBVQIDZSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994846320 660219736 /nfs/dbraw/zinc/21/97/36/660219736.db2.gz BUWBNSPHEHBRIK-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994846320 660219735 /nfs/dbraw/zinc/21/97/35/660219735.db2.gz BUWBNSPHEHBRIK-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846320 660219734 /nfs/dbraw/zinc/21/97/34/660219734.db2.gz BUWBNSPHEHBRIK-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846320 660219733 /nfs/dbraw/zinc/21/97/33/660219733.db2.gz BUWBNSPHEHBRIK-FVQBIDKESA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994846322 660219717 /nfs/dbraw/zinc/21/97/17/660219717.db2.gz BUWBNSPHEHBRIK-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994846322 660219716 /nfs/dbraw/zinc/21/97/16/660219716.db2.gz BUWBNSPHEHBRIK-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846322 660219714 /nfs/dbraw/zinc/21/97/14/660219714.db2.gz BUWBNSPHEHBRIK-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846322 660219713 /nfs/dbraw/zinc/21/97/13/660219713.db2.gz BUWBNSPHEHBRIK-VNQPRFMTSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000994846552 660220074 /nfs/dbraw/zinc/22/00/74/660220074.db2.gz FBFDIBKSRFKZRV-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000994846552 660220069 /nfs/dbraw/zinc/22/00/69/660220069.db2.gz FBFDIBKSRFKZRV-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000994846552 660220068 /nfs/dbraw/zinc/22/00/68/660220068.db2.gz FBFDIBKSRFKZRV-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000994846552 660220065 /nfs/dbraw/zinc/22/00/65/660220065.db2.gz FBFDIBKSRFKZRV-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000994846685 660220107 /nfs/dbraw/zinc/22/01/07/660220107.db2.gz FKGPNDLJDQEBHW-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000994846685 660220105 /nfs/dbraw/zinc/22/01/05/660220105.db2.gz FKGPNDLJDQEBHW-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000994846898 660220323 /nfs/dbraw/zinc/22/03/23/660220323.db2.gz IKBLEOJJMNOGCG-DAXOMENPSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000994846898 660220320 /nfs/dbraw/zinc/22/03/20/660220320.db2.gz IKBLEOJJMNOGCG-DAXOMENPSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000994846899 660220339 /nfs/dbraw/zinc/22/03/39/660220339.db2.gz IKBLEOJJMNOGCG-UHOFOFEASA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)O1 ZINC000994846899 660220337 /nfs/dbraw/zinc/22/03/37/660220337.db2.gz IKBLEOJJMNOGCG-UHOFOFEASA-N 2 1 350.463 -0.626 20 0 FBADMP CC1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994847261 660220255 /nfs/dbraw/zinc/22/02/55/660220255.db2.gz KNLGVVOYCBXRLF-GDBMZVCRSA-N 2 1 352.479 -0.236 20 0 FBADMP CC1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994847261 660220253 /nfs/dbraw/zinc/22/02/53/660220253.db2.gz KNLGVVOYCBXRLF-GDBMZVCRSA-N 2 1 352.479 -0.236 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994850887 660221092 /nfs/dbraw/zinc/22/10/92/660221092.db2.gz PUNMPLDYFLEIGA-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994850887 660221091 /nfs/dbraw/zinc/22/10/91/660221091.db2.gz PUNMPLDYFLEIGA-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994850887 660221090 /nfs/dbraw/zinc/22/10/90/660221090.db2.gz PUNMPLDYFLEIGA-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994850887 660221089 /nfs/dbraw/zinc/22/10/89/660221089.db2.gz PUNMPLDYFLEIGA-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994850888 660221037 /nfs/dbraw/zinc/22/10/37/660221037.db2.gz PUNMPLDYFLEIGA-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994850888 660221036 /nfs/dbraw/zinc/22/10/36/660221036.db2.gz PUNMPLDYFLEIGA-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994850888 660221035 /nfs/dbraw/zinc/22/10/35/660221035.db2.gz PUNMPLDYFLEIGA-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994850888 660221034 /nfs/dbraw/zinc/22/10/34/660221034.db2.gz PUNMPLDYFLEIGA-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000994850913 660221086 /nfs/dbraw/zinc/22/10/86/660221086.db2.gz QAQWVJWHWVIGOE-UKRRQHHQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000994850913 660221085 /nfs/dbraw/zinc/22/10/85/660221085.db2.gz QAQWVJWHWVIGOE-UKRRQHHQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC000994851716 660221101 /nfs/dbraw/zinc/22/11/01/660221101.db2.gz XOCGPPLCSURVIS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000994851716 660221100 /nfs/dbraw/zinc/22/11/00/660221100.db2.gz XOCGPPLCSURVIS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC000994851716 660221099 /nfs/dbraw/zinc/22/10/99/660221099.db2.gz XOCGPPLCSURVIS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC000994851716 660221098 /nfs/dbraw/zinc/22/10/98/660221098.db2.gz XOCGPPLCSURVIS-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000994851717 660221051 /nfs/dbraw/zinc/22/10/51/660221051.db2.gz XOCGPPLCSURVIS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000994851717 660221050 /nfs/dbraw/zinc/22/10/50/660221050.db2.gz XOCGPPLCSURVIS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC000994851717 660221049 /nfs/dbraw/zinc/22/10/49/660221049.db2.gz XOCGPPLCSURVIS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC000994851717 660221048 /nfs/dbraw/zinc/22/10/48/660221048.db2.gz XOCGPPLCSURVIS-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000994852807 660221362 /nfs/dbraw/zinc/22/13/62/660221362.db2.gz VGJIIFYWPVZNBR-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000994852807 660221361 /nfs/dbraw/zinc/22/13/61/660221361.db2.gz VGJIIFYWPVZNBR-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000994852807 660221360 /nfs/dbraw/zinc/22/13/60/660221360.db2.gz VGJIIFYWPVZNBR-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000994852807 660221359 /nfs/dbraw/zinc/22/13/59/660221359.db2.gz VGJIIFYWPVZNBR-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995824097 660358163 /nfs/dbraw/zinc/35/81/63/660358163.db2.gz HIOJWNXKPVQHHH-JHJVBQTASA-N 2 1 350.467 -0.225 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995824099 660358171 /nfs/dbraw/zinc/35/81/71/660358171.db2.gz HIOJWNXKPVQHHH-UPJWGTAASA-N 2 1 350.467 -0.225 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)O1 ZINC000995948992 660358914 /nfs/dbraw/zinc/35/89/14/660358914.db2.gz AMROCUWCQJETKD-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)O1 ZINC000995948992 660358913 /nfs/dbraw/zinc/35/89/13/660358913.db2.gz AMROCUWCQJETKD-KFWWJZLASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)O1 ZINC000995948994 660358972 /nfs/dbraw/zinc/35/89/72/660358972.db2.gz AMROCUWCQJETKD-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)O1 ZINC000995948994 660358971 /nfs/dbraw/zinc/35/89/71/660358971.db2.gz AMROCUWCQJETKD-RBSFLKMASA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)C(C)(C)C2)O1 ZINC000995959616 660358957 /nfs/dbraw/zinc/35/89/57/660358957.db2.gz QONUMGJZJJHOEL-BPLDGKMQSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)C(C)(C)C2)O1 ZINC000995959616 660358956 /nfs/dbraw/zinc/35/89/56/660358956.db2.gz QONUMGJZJJHOEL-BPLDGKMQSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnnn3C)C(C)(C)C2)O1 ZINC000995959618 660358961 /nfs/dbraw/zinc/35/89/61/660358961.db2.gz QONUMGJZJJHOEL-YUELXQCFSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnnn3C)C(C)(C)C2)O1 ZINC000995959618 660358960 /nfs/dbraw/zinc/35/89/60/660358960.db2.gz QONUMGJZJJHOEL-YUELXQCFSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)O1 ZINC000995961145 660359070 /nfs/dbraw/zinc/35/90/70/660359070.db2.gz VUAASNHNGQZREI-KFWWJZLASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)O1 ZINC000995961145 660359069 /nfs/dbraw/zinc/35/90/69/660359069.db2.gz VUAASNHNGQZREI-KFWWJZLASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)O1 ZINC000995961146 660359043 /nfs/dbraw/zinc/35/90/43/660359043.db2.gz VUAASNHNGQZREI-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)O1 ZINC000995961146 660359042 /nfs/dbraw/zinc/35/90/42/660359042.db2.gz VUAASNHNGQZREI-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000996341530 660360977 /nfs/dbraw/zinc/36/09/77/660360977.db2.gz SABPKVNVHUZYIU-UKRRQHHQSA-N 2 1 350.463 -0.339 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000996341530 660360975 /nfs/dbraw/zinc/36/09/75/660360975.db2.gz SABPKVNVHUZYIU-UKRRQHHQSA-N 2 1 350.463 -0.339 20 0 FBADMP CN1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)C1 ZINC000996559304 660363439 /nfs/dbraw/zinc/36/34/39/660363439.db2.gz HIYGZYLWKLLNDO-FXUDXRNXSA-N 2 1 350.463 -0.339 20 0 FBADMP CN1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)C1 ZINC000996559306 660363365 /nfs/dbraw/zinc/36/33/65/660363365.db2.gz HIYGZYLWKLLNDO-UGUYLWEFSA-N 2 1 350.463 -0.339 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000996602927 660364187 /nfs/dbraw/zinc/36/41/87/660364187.db2.gz IVPLPVZGTLTCQT-UONOGXRCSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000996607482 660363915 /nfs/dbraw/zinc/36/39/15/660363915.db2.gz OVSQAFRKUGYIQV-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)CC[N@H+]1C ZINC000996608003 660363989 /nfs/dbraw/zinc/36/39/89/660363989.db2.gz PFXVXIOXFQKBFN-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)O1 ZINC000996710349 660366485 /nfs/dbraw/zinc/36/64/85/660366485.db2.gz CGBNCRRYKNOYHH-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)O1 ZINC000996710349 660366484 /nfs/dbraw/zinc/36/64/84/660366484.db2.gz CGBNCRRYKNOYHH-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC000996713290 660366755 /nfs/dbraw/zinc/36/67/55/660366755.db2.gz SKLZRNNJMWNXDS-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC000996713290 660366753 /nfs/dbraw/zinc/36/67/53/660366753.db2.gz SKLZRNNJMWNXDS-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)O1 ZINC000996715449 660366843 /nfs/dbraw/zinc/36/68/43/660366843.db2.gz GGQMCMYASSESBG-UKRRQHHQSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)O1 ZINC000996715449 660366841 /nfs/dbraw/zinc/36/68/41/660366841.db2.gz GGQMCMYASSESBG-UKRRQHHQSA-N 2 1 353.467 -0.689 20 0 FBADMP CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996717818 660367278 /nfs/dbraw/zinc/36/72/78/660367278.db2.gz NAASUTTXPWVDJI-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996717818 660367276 /nfs/dbraw/zinc/36/72/76/660367276.db2.gz NAASUTTXPWVDJI-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996717823 660367239 /nfs/dbraw/zinc/36/72/39/660367239.db2.gz NAASUTTXPWVDJI-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996717823 660367236 /nfs/dbraw/zinc/36/72/36/660367236.db2.gz NAASUTTXPWVDJI-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)O1 ZINC000996718308 660367155 /nfs/dbraw/zinc/36/71/55/660367155.db2.gz NKADIEDBHYEWTC-KWCYVHTRSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)O1 ZINC000996718308 660367153 /nfs/dbraw/zinc/36/71/53/660367153.db2.gz NKADIEDBHYEWTC-KWCYVHTRSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)O1 ZINC000996718318 660367170 /nfs/dbraw/zinc/36/71/70/660367170.db2.gz NKADIEDBHYEWTC-MRVWCRGKSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)O1 ZINC000996718318 660367169 /nfs/dbraw/zinc/36/71/69/660367169.db2.gz NKADIEDBHYEWTC-MRVWCRGKSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC000996721529 660367410 /nfs/dbraw/zinc/36/74/10/660367410.db2.gz YTZWMZPQOKVSOQ-MBNYWOFBSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC000996721529 660367407 /nfs/dbraw/zinc/36/74/07/660367407.db2.gz YTZWMZPQOKVSOQ-MBNYWOFBSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC000996721532 660367544 /nfs/dbraw/zinc/36/75/44/660367544.db2.gz YTZWMZPQOKVSOQ-YRGRVCCFSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC000996721532 660367542 /nfs/dbraw/zinc/36/75/42/660367542.db2.gz YTZWMZPQOKVSOQ-YRGRVCCFSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000996721746 660367514 /nfs/dbraw/zinc/36/75/14/660367514.db2.gz ZREKOLCSPKGMRJ-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000996721746 660367512 /nfs/dbraw/zinc/36/75/12/660367512.db2.gz ZREKOLCSPKGMRJ-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC000996721750 660367419 /nfs/dbraw/zinc/36/74/19/660367419.db2.gz ZREKOLCSPKGMRJ-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC000996721750 660367417 /nfs/dbraw/zinc/36/74/17/660367417.db2.gz ZREKOLCSPKGMRJ-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000997394382 660396134 /nfs/dbraw/zinc/39/61/34/660396134.db2.gz VOESZGPRVVDWOM-UKRRQHHQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000997394382 660396133 /nfs/dbraw/zinc/39/61/33/660396133.db2.gz VOESZGPRVVDWOM-UKRRQHHQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000997784112 660399461 /nfs/dbraw/zinc/39/94/61/660399461.db2.gz AWQSDRGTHZHXLW-TZMCWYRMSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000997792603 660399477 /nfs/dbraw/zinc/39/94/77/660399477.db2.gz ISCKZWGQJGYIMO-BPLDGKMQSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000997792606 660399493 /nfs/dbraw/zinc/39/94/93/660399493.db2.gz ISCKZWGQJGYIMO-YUELXQCFSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)n3)CC2)O1 ZINC000997854469 660399919 /nfs/dbraw/zinc/39/99/19/660399919.db2.gz FKBYJTYXPDZEAV-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)n3)CC2)O1 ZINC000997854469 660399918 /nfs/dbraw/zinc/39/99/18/660399918.db2.gz FKBYJTYXPDZEAV-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nncn3C)CC2)O1 ZINC000997854564 660399924 /nfs/dbraw/zinc/39/99/24/660399924.db2.gz GNROEKHSNYPQTB-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nncn3C)CC2)O1 ZINC000997854564 660399923 /nfs/dbraw/zinc/39/99/23/660399923.db2.gz GNROEKHSNYPQTB-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)O1 ZINC000997855116 660399899 /nfs/dbraw/zinc/39/98/99/660399899.db2.gz LMKGMDAFCKUOKG-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)O1 ZINC000997855116 660399898 /nfs/dbraw/zinc/39/98/98/660399898.db2.gz LMKGMDAFCKUOKG-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nnnn3C)CC2)O1 ZINC000997855652 660399902 /nfs/dbraw/zinc/39/99/02/660399902.db2.gz OBJMBVWOBJJROH-TZMCWYRMSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nnnn3C)CC2)O1 ZINC000997855652 660399901 /nfs/dbraw/zinc/39/99/01/660399901.db2.gz OBJMBVWOBJJROH-TZMCWYRMSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ncnn3C)CC2)O1 ZINC000997857133 660399857 /nfs/dbraw/zinc/39/98/57/660399857.db2.gz WRODOUSNVZZLRE-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ncnn3C)CC2)O1 ZINC000997857133 660399854 /nfs/dbraw/zinc/39/98/54/660399854.db2.gz WRODOUSNVZZLRE-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC000997858540 660399886 /nfs/dbraw/zinc/39/98/86/660399886.db2.gz GOYXJISCTBFURI-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC000997858540 660399885 /nfs/dbraw/zinc/39/98/85/660399885.db2.gz GOYXJISCTBFURI-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC000997860775 660399916 /nfs/dbraw/zinc/39/99/16/660399916.db2.gz SUKCBHFAHXFACS-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC000997860775 660399915 /nfs/dbraw/zinc/39/99/15/660399915.db2.gz SUKCBHFAHXFACS-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC000997860776 660399890 /nfs/dbraw/zinc/39/98/90/660399890.db2.gz SUKCBHFAHXFACS-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC000997860776 660399889 /nfs/dbraw/zinc/39/98/89/660399889.db2.gz SUKCBHFAHXFACS-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC000997861646 660399947 /nfs/dbraw/zinc/39/99/47/660399947.db2.gz ZFWFIXGYJVTZEL-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC000997861646 660399946 /nfs/dbraw/zinc/39/99/46/660399946.db2.gz ZFWFIXGYJVTZEL-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC000997861647 660399906 /nfs/dbraw/zinc/39/99/06/660399906.db2.gz ZFWFIXGYJVTZEL-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC000997861647 660399905 /nfs/dbraw/zinc/39/99/05/660399905.db2.gz ZFWFIXGYJVTZEL-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000998124879 660402817 /nfs/dbraw/zinc/40/28/17/660402817.db2.gz LYDOXYSSYHKXGT-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000998124879 660402816 /nfs/dbraw/zinc/40/28/16/660402816.db2.gz LYDOXYSSYHKXGT-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998124879 660402815 /nfs/dbraw/zinc/40/28/15/660402815.db2.gz LYDOXYSSYHKXGT-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998124879 660402814 /nfs/dbraw/zinc/40/28/14/660402814.db2.gz LYDOXYSSYHKXGT-BMFZPTHFSA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000998124881 660402849 /nfs/dbraw/zinc/40/28/49/660402849.db2.gz LYDOXYSSYHKXGT-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000998124881 660402848 /nfs/dbraw/zinc/40/28/48/660402848.db2.gz LYDOXYSSYHKXGT-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998124881 660402845 /nfs/dbraw/zinc/40/28/45/660402845.db2.gz LYDOXYSSYHKXGT-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998124881 660402844 /nfs/dbraw/zinc/40/28/44/660402844.db2.gz LYDOXYSSYHKXGT-FVQBIDKESA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000998177485 660403343 /nfs/dbraw/zinc/40/33/43/660403343.db2.gz HCBVCYJQKACMDU-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000998177485 660403342 /nfs/dbraw/zinc/40/33/42/660403342.db2.gz HCBVCYJQKACMDU-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000998177485 660403340 /nfs/dbraw/zinc/40/33/40/660403340.db2.gz HCBVCYJQKACMDU-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000998177485 660403339 /nfs/dbraw/zinc/40/33/39/660403339.db2.gz HCBVCYJQKACMDU-KNCOVGOOSA-N 2 1 352.479 -0.237 20 0 FBADMP CC1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000998357846 660406618 /nfs/dbraw/zinc/40/66/18/660406618.db2.gz FGSVHPLLQVAMCU-GDBMZVCRSA-N 2 1 352.479 -0.236 20 0 FBADMP CC1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000998357846 660406617 /nfs/dbraw/zinc/40/66/17/660406617.db2.gz FGSVHPLLQVAMCU-GDBMZVCRSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC000998792647 660408341 /nfs/dbraw/zinc/40/83/41/660408341.db2.gz ZVOXXECHOMSPDC-BLYZHGLHSA-N 2 1 351.451 -0.543 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC000998794940 660408452 /nfs/dbraw/zinc/40/84/52/660408452.db2.gz TXRJFTQHKYMSMX-CLRIEMFWSA-N 2 1 350.467 -0.082 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000998797460 660408417 /nfs/dbraw/zinc/40/84/17/660408417.db2.gz VZPPYAJIURWTFZ-PRLABOORSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000998982119 660408756 /nfs/dbraw/zinc/40/87/56/660408756.db2.gz BNIOADRRYJKFRU-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000998982119 660408755 /nfs/dbraw/zinc/40/87/55/660408755.db2.gz BNIOADRRYJKFRU-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCN3CCCC3=O)C2)O1 ZINC000998982156 660408750 /nfs/dbraw/zinc/40/87/50/660408750.db2.gz CETUPFPTIRJDOQ-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCN3CCCC3=O)C2)O1 ZINC000998982156 660408749 /nfs/dbraw/zinc/40/87/49/660408749.db2.gz CETUPFPTIRJDOQ-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)O1 ZINC000998983116 660408814 /nfs/dbraw/zinc/40/88/14/660408814.db2.gz JCLUBKHNNQHDGO-XSCHDIRWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)O1 ZINC000998983116 660408813 /nfs/dbraw/zinc/40/88/13/660408813.db2.gz JCLUBKHNNQHDGO-XSCHDIRWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999188534 660410163 /nfs/dbraw/zinc/41/01/63/660410163.db2.gz BGTIYGWVZYHWRQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999188537 660410115 /nfs/dbraw/zinc/41/01/15/660410115.db2.gz BGTIYGWVZYHWRQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC000999197030 660410084 /nfs/dbraw/zinc/41/00/84/660410084.db2.gz VXLMOPIXFNPCMP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC000999197031 660410024 /nfs/dbraw/zinc/41/00/24/660410024.db2.gz VXLMOPIXFNPCMP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC000999204530 660410150 /nfs/dbraw/zinc/41/01/50/660410150.db2.gz GPHGRFYNMVDEKR-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC000999204536 660410039 /nfs/dbraw/zinc/41/00/39/660410039.db2.gz GPHGRFYNMVDEKR-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC000999493285 660413069 /nfs/dbraw/zinc/41/30/69/660413069.db2.gz DFXBPZWIXXJNPP-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC000999493285 660413068 /nfs/dbraw/zinc/41/30/68/660413068.db2.gz DFXBPZWIXXJNPP-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC000999493288 660413066 /nfs/dbraw/zinc/41/30/66/660413066.db2.gz DFXBPZWIXXJNPP-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC000999493288 660413065 /nfs/dbraw/zinc/41/30/65/660413065.db2.gz DFXBPZWIXXJNPP-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000999494045 660413123 /nfs/dbraw/zinc/41/31/23/660413123.db2.gz HNGOSPJXGTYAEZ-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000999494045 660413122 /nfs/dbraw/zinc/41/31/22/660413122.db2.gz HNGOSPJXGTYAEZ-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000999494046 660413103 /nfs/dbraw/zinc/41/31/03/660413103.db2.gz HNGOSPJXGTYAEZ-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000999494046 660413102 /nfs/dbraw/zinc/41/31/02/660413102.db2.gz HNGOSPJXGTYAEZ-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000999494782 660413089 /nfs/dbraw/zinc/41/30/89/660413089.db2.gz IMHSZCCJWUXRST-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000999494782 660413087 /nfs/dbraw/zinc/41/30/87/660413087.db2.gz IMHSZCCJWUXRST-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000999494791 660413096 /nfs/dbraw/zinc/41/30/96/660413096.db2.gz IMHSZCCJWUXRST-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC000999494791 660413095 /nfs/dbraw/zinc/41/30/95/660413095.db2.gz IMHSZCCJWUXRST-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000999896941 660417323 /nfs/dbraw/zinc/41/73/23/660417323.db2.gz VSTZLGAFIRHYRY-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000999896941 660417322 /nfs/dbraw/zinc/41/73/22/660417322.db2.gz VSTZLGAFIRHYRY-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000999896941 660417320 /nfs/dbraw/zinc/41/73/20/660417320.db2.gz VSTZLGAFIRHYRY-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000999896941 660417318 /nfs/dbraw/zinc/41/73/18/660417318.db2.gz VSTZLGAFIRHYRY-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)CC[NH+]1C ZINC000999987469 660419636 /nfs/dbraw/zinc/41/96/36/660419636.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)CC[NH+]1C ZINC000999987469 660419635 /nfs/dbraw/zinc/41/96/35/660419635.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)CC[N@H+]1C ZINC000999987469 660419634 /nfs/dbraw/zinc/41/96/34/660419634.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)CC[NH+]1C ZINC000999987471 660419673 /nfs/dbraw/zinc/41/96/73/660419673.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)CC[NH+]1C ZINC000999987471 660419672 /nfs/dbraw/zinc/41/96/72/660419672.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)CC[N@H+]1C ZINC000999987471 660419671 /nfs/dbraw/zinc/41/96/71/660419671.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999988488 660419643 /nfs/dbraw/zinc/41/96/43/660419643.db2.gz WAHMXEATQLHHHN-FVQBIDKESA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999988488 660419642 /nfs/dbraw/zinc/41/96/42/660419642.db2.gz WAHMXEATQLHHHN-FVQBIDKESA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)CC[N@H+]1C ZINC000999988488 660419641 /nfs/dbraw/zinc/41/96/41/660419641.db2.gz WAHMXEATQLHHHN-FVQBIDKESA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999988491 660419649 /nfs/dbraw/zinc/41/96/49/660419649.db2.gz WAHMXEATQLHHHN-VNQPRFMTSA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999988491 660419648 /nfs/dbraw/zinc/41/96/48/660419648.db2.gz WAHMXEATQLHHHN-VNQPRFMTSA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)CC[N@H+]1C ZINC000999988491 660419647 /nfs/dbraw/zinc/41/96/47/660419647.db2.gz WAHMXEATQLHHHN-VNQPRFMTSA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187054 662390838 /nfs/dbraw/zinc/39/08/38/662390838.db2.gz WZOALPBIJYIAND-UMVBOHGHSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187054 662390836 /nfs/dbraw/zinc/39/08/36/662390836.db2.gz WZOALPBIJYIAND-UMVBOHGHSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187060 662390997 /nfs/dbraw/zinc/39/09/97/662390997.db2.gz WZOALPBIJYIAND-VNHYZAJKSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187060 662390994 /nfs/dbraw/zinc/39/09/94/662390994.db2.gz WZOALPBIJYIAND-VNHYZAJKSA-N 2 1 352.479 -0.060 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001001313192 662398822 /nfs/dbraw/zinc/39/88/22/662398822.db2.gz VUKRNNZSSCVNMR-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001001313192 662398820 /nfs/dbraw/zinc/39/88/20/662398820.db2.gz VUKRNNZSSCVNMR-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001001313192 662398818 /nfs/dbraw/zinc/39/88/18/662398818.db2.gz VUKRNNZSSCVNMR-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001001313192 662398817 /nfs/dbraw/zinc/39/88/17/662398817.db2.gz VUKRNNZSSCVNMR-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001001313207 662398709 /nfs/dbraw/zinc/39/87/09/662398709.db2.gz VUKRNNZSSCVNMR-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001001313207 662398706 /nfs/dbraw/zinc/39/87/06/662398706.db2.gz VUKRNNZSSCVNMR-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001001313207 662398703 /nfs/dbraw/zinc/39/87/03/662398703.db2.gz VUKRNNZSSCVNMR-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001001313207 662398699 /nfs/dbraw/zinc/39/86/99/662398699.db2.gz VUKRNNZSSCVNMR-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001001417958 662399591 /nfs/dbraw/zinc/39/95/91/662399591.db2.gz JSRAKVVIWCXXRY-TZMCWYRMSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001001417958 662399588 /nfs/dbraw/zinc/39/95/88/662399588.db2.gz JSRAKVVIWCXXRY-TZMCWYRMSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001001420591 662399497 /nfs/dbraw/zinc/39/94/97/662399497.db2.gz NHDPUFJMTDIXHU-BPLDGKMQSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001001420592 662399558 /nfs/dbraw/zinc/39/95/58/662399558.db2.gz NHDPUFJMTDIXHU-YUELXQCFSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001001531302 662400980 /nfs/dbraw/zinc/40/09/80/662400980.db2.gz DURKEQKVHBKTKD-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001001531302 662400979 /nfs/dbraw/zinc/40/09/79/662400979.db2.gz DURKEQKVHBKTKD-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001001531304 660428531 /nfs/dbraw/zinc/42/85/31/660428531.db2.gz DURKEQKVHBKTKD-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001001531304 660428530 /nfs/dbraw/zinc/42/85/30/660428530.db2.gz DURKEQKVHBKTKD-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCn3cncn3)CC2)O1 ZINC001001532606 662400885 /nfs/dbraw/zinc/40/08/85/662400885.db2.gz NNVLMSQCZWVVOH-GDBMZVCRSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCn3cncn3)CC2)O1 ZINC001001532606 662400884 /nfs/dbraw/zinc/40/08/84/662400884.db2.gz NNVLMSQCZWVVOH-GDBMZVCRSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001001534209 662401240 /nfs/dbraw/zinc/40/12/40/662401240.db2.gz UVPKRJHSYSVVCY-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001001534209 662401236 /nfs/dbraw/zinc/40/12/36/662401236.db2.gz UVPKRJHSYSVVCY-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001001534210 662401211 /nfs/dbraw/zinc/40/12/11/662401211.db2.gz UVPKRJHSYSVVCY-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001001534210 662401209 /nfs/dbraw/zinc/40/12/09/662401209.db2.gz UVPKRJHSYSVVCY-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001001534348 662401288 /nfs/dbraw/zinc/40/12/88/662401288.db2.gz WUYXPCQOCMZALB-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001001534348 662401287 /nfs/dbraw/zinc/40/12/87/662401287.db2.gz WUYXPCQOCMZALB-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001002234676 660436875 /nfs/dbraw/zinc/43/68/75/660436875.db2.gz IUQBIIFOPJTNRD-GDBMZVCRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001002234676 660436874 /nfs/dbraw/zinc/43/68/74/660436874.db2.gz IUQBIIFOPJTNRD-GDBMZVCRSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002245729 660437896 /nfs/dbraw/zinc/43/78/96/660437896.db2.gz JGCGSIRFRQFJFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002245729 660437891 /nfs/dbraw/zinc/43/78/91/660437891.db2.gz JGCGSIRFRQFJFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002245729 660437888 /nfs/dbraw/zinc/43/78/88/660437888.db2.gz JGCGSIRFRQFJFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002245729 660437885 /nfs/dbraw/zinc/43/78/85/660437885.db2.gz JGCGSIRFRQFJFH-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002245731 660437762 /nfs/dbraw/zinc/43/77/62/660437762.db2.gz JGCGSIRFRQFJFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002245731 660437761 /nfs/dbraw/zinc/43/77/61/660437761.db2.gz JGCGSIRFRQFJFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002245731 660437759 /nfs/dbraw/zinc/43/77/59/660437759.db2.gz JGCGSIRFRQFJFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002245731 660437757 /nfs/dbraw/zinc/43/77/57/660437757.db2.gz JGCGSIRFRQFJFH-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002248862 660438250 /nfs/dbraw/zinc/43/82/50/660438250.db2.gz SSQYQZJPXBDERL-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002248862 660438249 /nfs/dbraw/zinc/43/82/49/660438249.db2.gz SSQYQZJPXBDERL-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC001002248862 660438247 /nfs/dbraw/zinc/43/82/47/660438247.db2.gz SSQYQZJPXBDERL-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC001002248862 660438246 /nfs/dbraw/zinc/43/82/46/660438246.db2.gz SSQYQZJPXBDERL-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001002254577 660438410 /nfs/dbraw/zinc/43/84/10/660438410.db2.gz XCCAHSIGKJLAAX-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001002254577 660438407 /nfs/dbraw/zinc/43/84/07/660438407.db2.gz XCCAHSIGKJLAAX-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001002254577 660438405 /nfs/dbraw/zinc/43/84/05/660438405.db2.gz XCCAHSIGKJLAAX-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001002254577 660438402 /nfs/dbraw/zinc/43/84/02/660438402.db2.gz XCCAHSIGKJLAAX-ARFHVFGLSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001002254579 660438362 /nfs/dbraw/zinc/43/83/62/660438362.db2.gz XCCAHSIGKJLAAX-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001002254579 660438358 /nfs/dbraw/zinc/43/83/58/660438358.db2.gz XCCAHSIGKJLAAX-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001002254579 660438355 /nfs/dbraw/zinc/43/83/55/660438355.db2.gz XCCAHSIGKJLAAX-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001002254579 660438353 /nfs/dbraw/zinc/43/83/53/660438353.db2.gz XCCAHSIGKJLAAX-XHSDSOJGSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002289878 660439421 /nfs/dbraw/zinc/43/94/21/660439421.db2.gz FKXVQYVANCRRKV-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002289878 660439416 /nfs/dbraw/zinc/43/94/16/660439416.db2.gz FKXVQYVANCRRKV-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002289878 660439414 /nfs/dbraw/zinc/43/94/14/660439414.db2.gz FKXVQYVANCRRKV-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002289878 660439413 /nfs/dbraw/zinc/43/94/13/660439413.db2.gz FKXVQYVANCRRKV-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002289880 660439352 /nfs/dbraw/zinc/43/93/52/660439352.db2.gz FKXVQYVANCRRKV-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002289880 660439351 /nfs/dbraw/zinc/43/93/51/660439351.db2.gz FKXVQYVANCRRKV-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002289880 660439350 /nfs/dbraw/zinc/43/93/50/660439350.db2.gz FKXVQYVANCRRKV-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002289880 660439349 /nfs/dbraw/zinc/43/93/49/660439349.db2.gz FKXVQYVANCRRKV-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001002849624 660447674 /nfs/dbraw/zinc/44/76/74/660447674.db2.gz WADLVWQVHTWFDN-WBVHZDCISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001002852634 660447980 /nfs/dbraw/zinc/44/79/80/660447980.db2.gz RUFWNKKBGKACMW-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001002852634 660447979 /nfs/dbraw/zinc/44/79/79/660447979.db2.gz RUFWNKKBGKACMW-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CNC3=O)CC2)CC[N@H+]1C ZINC001002860606 660448255 /nfs/dbraw/zinc/44/82/55/660448255.db2.gz LROIRBJCPRGSBC-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001002871743 660448586 /nfs/dbraw/zinc/44/85/86/660448586.db2.gz WHDGJKHXHFMFBK-BMFZPTHFSA-N 2 1 354.495 -0.134 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001002871743 660448585 /nfs/dbraw/zinc/44/85/85/660448585.db2.gz WHDGJKHXHFMFBK-BMFZPTHFSA-N 2 1 354.495 -0.134 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001002871749 660448582 /nfs/dbraw/zinc/44/85/82/660448582.db2.gz WHDGJKHXHFMFBK-FVQBIDKESA-N 2 1 354.495 -0.134 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001002871749 660448581 /nfs/dbraw/zinc/44/85/81/660448581.db2.gz WHDGJKHXHFMFBK-FVQBIDKESA-N 2 1 354.495 -0.134 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC001002878868 660448996 /nfs/dbraw/zinc/44/89/96/660448996.db2.gz ACJBIJWWVBKJPW-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC001002878868 660448995 /nfs/dbraw/zinc/44/89/95/660448995.db2.gz ACJBIJWWVBKJPW-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC001002878868 660448994 /nfs/dbraw/zinc/44/89/94/660448994.db2.gz ACJBIJWWVBKJPW-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC001002878868 660448993 /nfs/dbraw/zinc/44/89/93/660448993.db2.gz ACJBIJWWVBKJPW-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC001002878870 660448964 /nfs/dbraw/zinc/44/89/64/660448964.db2.gz ACJBIJWWVBKJPW-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC001002878870 660448963 /nfs/dbraw/zinc/44/89/63/660448963.db2.gz ACJBIJWWVBKJPW-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC001002878870 660448962 /nfs/dbraw/zinc/44/89/62/660448962.db2.gz ACJBIJWWVBKJPW-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC001002878870 660448961 /nfs/dbraw/zinc/44/89/61/660448961.db2.gz ACJBIJWWVBKJPW-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC001002878886 660448989 /nfs/dbraw/zinc/44/89/89/660448989.db2.gz ATGIJWUZQUWWHW-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC001002878886 660448988 /nfs/dbraw/zinc/44/89/88/660448988.db2.gz ATGIJWUZQUWWHW-UKRRQHHQSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001002880233 660448957 /nfs/dbraw/zinc/44/89/57/660448957.db2.gz MKDFSJHNZCPGKB-CZUORRHYSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001002880233 660448956 /nfs/dbraw/zinc/44/89/56/660448956.db2.gz MKDFSJHNZCPGKB-CZUORRHYSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001002880259 660448937 /nfs/dbraw/zinc/44/89/37/660448937.db2.gz NGNJKCYCGJTSOR-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001002880259 660448936 /nfs/dbraw/zinc/44/89/36/660448936.db2.gz NGNJKCYCGJTSOR-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC001002880259 660448935 /nfs/dbraw/zinc/44/89/35/660448935.db2.gz NGNJKCYCGJTSOR-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC001002880259 660448934 /nfs/dbraw/zinc/44/89/34/660448934.db2.gz NGNJKCYCGJTSOR-CZUORRHYSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002880651 660448948 /nfs/dbraw/zinc/44/89/48/660448948.db2.gz ROUKEJVMDMZKGC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002880651 660448947 /nfs/dbraw/zinc/44/89/47/660448947.db2.gz ROUKEJVMDMZKGC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002880651 660448946 /nfs/dbraw/zinc/44/89/46/660448946.db2.gz ROUKEJVMDMZKGC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002880651 660448945 /nfs/dbraw/zinc/44/89/45/660448945.db2.gz ROUKEJVMDMZKGC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002880652 660448974 /nfs/dbraw/zinc/44/89/74/660448974.db2.gz ROUKEJVMDMZKGC-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002880652 660448973 /nfs/dbraw/zinc/44/89/73/660448973.db2.gz ROUKEJVMDMZKGC-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002880652 660448972 /nfs/dbraw/zinc/44/89/72/660448972.db2.gz ROUKEJVMDMZKGC-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002880652 660448971 /nfs/dbraw/zinc/44/89/71/660448971.db2.gz ROUKEJVMDMZKGC-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC001002882466 660449779 /nfs/dbraw/zinc/44/97/79/660449779.db2.gz DDMHIABIHGKQSV-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001002882466 660449777 /nfs/dbraw/zinc/44/97/77/660449777.db2.gz DDMHIABIHGKQSV-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC001002882466 660449775 /nfs/dbraw/zinc/44/97/75/660449775.db2.gz DDMHIABIHGKQSV-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC001002882466 660449773 /nfs/dbraw/zinc/44/97/73/660449773.db2.gz DDMHIABIHGKQSV-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC001002882470 660449744 /nfs/dbraw/zinc/44/97/44/660449744.db2.gz DDMHIABIHGKQSV-IJEWVQPXSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001002882470 660449743 /nfs/dbraw/zinc/44/97/43/660449743.db2.gz DDMHIABIHGKQSV-IJEWVQPXSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001002882470 660449741 /nfs/dbraw/zinc/44/97/41/660449741.db2.gz DDMHIABIHGKQSV-IJEWVQPXSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001002882470 660449740 /nfs/dbraw/zinc/44/97/40/660449740.db2.gz DDMHIABIHGKQSV-IJEWVQPXSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002884304 660448579 /nfs/dbraw/zinc/44/85/79/660448579.db2.gz NIDGUZBDPUWCFX-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002884304 660448578 /nfs/dbraw/zinc/44/85/78/660448578.db2.gz NIDGUZBDPUWCFX-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC001002884304 660448577 /nfs/dbraw/zinc/44/85/77/660448577.db2.gz NIDGUZBDPUWCFX-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC001002884304 660448576 /nfs/dbraw/zinc/44/85/76/660448576.db2.gz NIDGUZBDPUWCFX-RRCSTGOVSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002884316 660448546 /nfs/dbraw/zinc/44/85/46/660448546.db2.gz NYMXYYFPSRHVKJ-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002884316 660448545 /nfs/dbraw/zinc/44/85/45/660448545.db2.gz NYMXYYFPSRHVKJ-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001002884316 660448544 /nfs/dbraw/zinc/44/85/44/660448544.db2.gz NYMXYYFPSRHVKJ-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001002884316 660448543 /nfs/dbraw/zinc/44/85/43/660448543.db2.gz NYMXYYFPSRHVKJ-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002884317 660448571 /nfs/dbraw/zinc/44/85/71/660448571.db2.gz NYMXYYFPSRHVKJ-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002884317 660448570 /nfs/dbraw/zinc/44/85/70/660448570.db2.gz NYMXYYFPSRHVKJ-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001002884317 660448569 /nfs/dbraw/zinc/44/85/69/660448569.db2.gz NYMXYYFPSRHVKJ-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001002884317 660448568 /nfs/dbraw/zinc/44/85/68/660448568.db2.gz NYMXYYFPSRHVKJ-SQWLQELKSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001002885695 660450365 /nfs/dbraw/zinc/45/03/65/660450365.db2.gz VCDGGNNUQISUHI-UKRRQHHQSA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001002885695 660450363 /nfs/dbraw/zinc/45/03/63/660450363.db2.gz VCDGGNNUQISUHI-UKRRQHHQSA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)O1 ZINC001002886220 660450308 /nfs/dbraw/zinc/45/03/08/660450308.db2.gz ZLNIDMKBJJNQMI-DAXOMENPSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)O1 ZINC001002886220 660450306 /nfs/dbraw/zinc/45/03/06/660450306.db2.gz ZLNIDMKBJJNQMI-DAXOMENPSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)O1 ZINC001002886225 660450375 /nfs/dbraw/zinc/45/03/75/660450375.db2.gz ZLNIDMKBJJNQMI-WQVCFCJDSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)O1 ZINC001002886225 660450373 /nfs/dbraw/zinc/45/03/73/660450373.db2.gz ZLNIDMKBJJNQMI-WQVCFCJDSA-N 2 1 352.479 -0.380 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001002919742 660450654 /nfs/dbraw/zinc/45/06/54/660450654.db2.gz ULRYTAPNYGISBH-CZUORRHYSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001002919742 660450653 /nfs/dbraw/zinc/45/06/53/660450653.db2.gz ULRYTAPNYGISBH-CZUORRHYSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC001003049284 660454962 /nfs/dbraw/zinc/45/49/62/660454962.db2.gz UDKWQVGEMGFGSO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC001003049284 660454961 /nfs/dbraw/zinc/45/49/61/660454961.db2.gz UDKWQVGEMGFGSO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC001003049284 660454960 /nfs/dbraw/zinc/45/49/60/660454960.db2.gz UDKWQVGEMGFGSO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC001003049284 660454959 /nfs/dbraw/zinc/45/49/59/660454959.db2.gz UDKWQVGEMGFGSO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC001003049286 660455026 /nfs/dbraw/zinc/45/50/26/660455026.db2.gz UDKWQVGEMGFGSO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC001003049286 660455024 /nfs/dbraw/zinc/45/50/24/660455024.db2.gz UDKWQVGEMGFGSO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC001003049286 660455023 /nfs/dbraw/zinc/45/50/23/660455023.db2.gz UDKWQVGEMGFGSO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC001003049286 660455022 /nfs/dbraw/zinc/45/50/22/660455022.db2.gz UDKWQVGEMGFGSO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001003132379 660456059 /nfs/dbraw/zinc/45/60/59/660456059.db2.gz BMSOGSWUYUCDMJ-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001003132379 660456057 /nfs/dbraw/zinc/45/60/57/660456057.db2.gz BMSOGSWUYUCDMJ-FVQBIDKESA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001003132381 660456002 /nfs/dbraw/zinc/45/60/02/660456002.db2.gz BMSOGSWUYUCDMJ-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001003132381 660456000 /nfs/dbraw/zinc/45/60/00/660456000.db2.gz BMSOGSWUYUCDMJ-VNQPRFMTSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001003137667 660455963 /nfs/dbraw/zinc/45/59/63/660455963.db2.gz KNLWXFCTBMOBEE-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001003137667 660455962 /nfs/dbraw/zinc/45/59/62/660455962.db2.gz KNLWXFCTBMOBEE-GDBMZVCRSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)O1 ZINC001003138883 660456012 /nfs/dbraw/zinc/45/60/12/660456012.db2.gz MMGDUHZYPADOSN-UKRRQHHQSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)O1 ZINC001003138883 660456011 /nfs/dbraw/zinc/45/60/11/660456011.db2.gz MMGDUHZYPADOSN-UKRRQHHQSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001003333592 660458477 /nfs/dbraw/zinc/45/84/77/660458477.db2.gz LJYUMPZKQSJJOC-UKRRQHHQSA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001003333592 660458476 /nfs/dbraw/zinc/45/84/76/660458476.db2.gz LJYUMPZKQSJJOC-UKRRQHHQSA-N 2 1 350.463 -0.624 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC(N)=O)CC2)O1 ZINC001004468980 660473374 /nfs/dbraw/zinc/47/33/74/660473374.db2.gz KCWHRKLMGOAVBD-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)O1 ZINC001004468980 660473372 /nfs/dbraw/zinc/47/33/72/660473372.db2.gz KCWHRKLMGOAVBD-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC(N)=O)CC2)O1 ZINC001004468980 660473370 /nfs/dbraw/zinc/47/33/70/660473370.db2.gz KCWHRKLMGOAVBD-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC(N)=O)CC2)O1 ZINC001004468980 660473369 /nfs/dbraw/zinc/47/33/69/660473369.db2.gz KCWHRKLMGOAVBD-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC(N)=O)CC2)O1 ZINC001004468982 660473441 /nfs/dbraw/zinc/47/34/41/660473441.db2.gz KCWHRKLMGOAVBD-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)O1 ZINC001004468982 660473439 /nfs/dbraw/zinc/47/34/39/660473439.db2.gz KCWHRKLMGOAVBD-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC(N)=O)CC2)O1 ZINC001004468982 660473438 /nfs/dbraw/zinc/47/34/38/660473438.db2.gz KCWHRKLMGOAVBD-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC(N)=O)CC2)O1 ZINC001004468982 660473436 /nfs/dbraw/zinc/47/34/36/660473436.db2.gz KCWHRKLMGOAVBD-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCn3cncn3)CC2)O1 ZINC001005579616 660499680 /nfs/dbraw/zinc/49/96/80/660499680.db2.gz BFYWMDYZCOEDQR-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCn3cncn3)CC2)O1 ZINC001005579616 660499677 /nfs/dbraw/zinc/49/96/77/660499677.db2.gz BFYWMDYZCOEDQR-GDBMZVCRSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006341971 661580347 /nfs/dbraw/zinc/58/03/47/661580347.db2.gz MCIVILFENLHDMH-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006341971 661580346 /nfs/dbraw/zinc/58/03/46/661580346.db2.gz MCIVILFENLHDMH-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006341974 661580719 /nfs/dbraw/zinc/58/07/19/661580719.db2.gz MCIVILFENLHDMH-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006341974 661580718 /nfs/dbraw/zinc/58/07/18/661580718.db2.gz MCIVILFENLHDMH-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001007370479 662111918 /nfs/dbraw/zinc/11/19/18/662111918.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001007370479 662111915 /nfs/dbraw/zinc/11/19/15/662111915.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001007370479 662111912 /nfs/dbraw/zinc/11/19/12/662111912.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001007370479 662111910 /nfs/dbraw/zinc/11/19/10/662111910.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001007370479 662111908 /nfs/dbraw/zinc/11/19/08/662111908.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001007370483 662111867 /nfs/dbraw/zinc/11/18/67/662111867.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001007370483 662111865 /nfs/dbraw/zinc/11/18/65/662111865.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001007370483 662111864 /nfs/dbraw/zinc/11/18/64/662111864.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001007370483 662111862 /nfs/dbraw/zinc/11/18/62/662111862.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001007370483 662111859 /nfs/dbraw/zinc/11/18/59/662111859.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001007376793 662111819 /nfs/dbraw/zinc/11/18/19/662111819.db2.gz NTSGMAYMCHMDKU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001007376794 662111834 /nfs/dbraw/zinc/11/18/34/662111834.db2.gz NTSGMAYMCHMDKU-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC001010874964 662134954 /nfs/dbraw/zinc/13/49/54/662134954.db2.gz FETLITLBOANSIK-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC001010874964 662134953 /nfs/dbraw/zinc/13/49/53/662134953.db2.gz FETLITLBOANSIK-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC001010874964 662134952 /nfs/dbraw/zinc/13/49/52/662134952.db2.gz FETLITLBOANSIK-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC001010874964 662134951 /nfs/dbraw/zinc/13/49/51/662134951.db2.gz FETLITLBOANSIK-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC001010874979 662135046 /nfs/dbraw/zinc/13/50/46/662135046.db2.gz FETLITLBOANSIK-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC001010874979 662135041 /nfs/dbraw/zinc/13/50/41/662135041.db2.gz FETLITLBOANSIK-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC001010874979 662135038 /nfs/dbraw/zinc/13/50/38/662135038.db2.gz FETLITLBOANSIK-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC001010874979 662135036 /nfs/dbraw/zinc/13/50/36/662135036.db2.gz FETLITLBOANSIK-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC001011208231 662137096 /nfs/dbraw/zinc/13/70/96/662137096.db2.gz OKVDWGITTOAVGK-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC001011208231 662137095 /nfs/dbraw/zinc/13/70/95/662137095.db2.gz OKVDWGITTOAVGK-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC001011209314 662137435 /nfs/dbraw/zinc/13/74/35/662137435.db2.gz VKDRMQFTHUEEMD-KLHDSHLOSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC001011209314 662137433 /nfs/dbraw/zinc/13/74/33/662137433.db2.gz VKDRMQFTHUEEMD-KLHDSHLOSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC001011209314 662137431 /nfs/dbraw/zinc/13/74/31/662137431.db2.gz VKDRMQFTHUEEMD-KLHDSHLOSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC001011209314 662137430 /nfs/dbraw/zinc/13/74/30/662137430.db2.gz VKDRMQFTHUEEMD-KLHDSHLOSA-N 2 1 352.479 -0.284 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011209454 662137462 /nfs/dbraw/zinc/13/74/62/662137462.db2.gz FGMPLVAAHTUFEG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011209454 662137461 /nfs/dbraw/zinc/13/74/61/662137461.db2.gz FGMPLVAAHTUFEG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209454 662137460 /nfs/dbraw/zinc/13/74/60/662137460.db2.gz FGMPLVAAHTUFEG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209454 662137459 /nfs/dbraw/zinc/13/74/59/662137459.db2.gz FGMPLVAAHTUFEG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011209455 662137392 /nfs/dbraw/zinc/13/73/92/662137392.db2.gz FGMPLVAAHTUFEG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011209455 662137391 /nfs/dbraw/zinc/13/73/91/662137391.db2.gz FGMPLVAAHTUFEG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209455 662137389 /nfs/dbraw/zinc/13/73/89/662137389.db2.gz FGMPLVAAHTUFEG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209455 662137388 /nfs/dbraw/zinc/13/73/88/662137388.db2.gz FGMPLVAAHTUFEG-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC001011262700 662138509 /nfs/dbraw/zinc/13/85/09/662138509.db2.gz LKVRSUHRUIRFGT-HUUCEWRRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC001011262700 662138507 /nfs/dbraw/zinc/13/85/07/662138507.db2.gz LKVRSUHRUIRFGT-HUUCEWRRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)O1 ZINC001011264710 662138492 /nfs/dbraw/zinc/13/84/92/662138492.db2.gz NWKKTQSYOUBEKO-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)O1 ZINC001011264710 662138491 /nfs/dbraw/zinc/13/84/91/662138491.db2.gz NWKKTQSYOUBEKO-BMFZPTHFSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)O1 ZINC001011264711 662138663 /nfs/dbraw/zinc/13/86/63/662138663.db2.gz NWKKTQSYOUBEKO-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)O1 ZINC001011264711 662138659 /nfs/dbraw/zinc/13/86/59/662138659.db2.gz NWKKTQSYOUBEKO-FVQBIDKESA-N 2 1 352.479 -0.284 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001011268175 657800985 /nfs/dbraw/zinc/80/09/85/657800985.db2.gz ROSJAKJYVVQKKF-OAGGEKHMSA-N 2 1 354.495 -0.038 20 0 FBADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001011268175 657800982 /nfs/dbraw/zinc/80/09/82/657800982.db2.gz ROSJAKJYVVQKKF-OAGGEKHMSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC001011283022 662138984 /nfs/dbraw/zinc/13/89/84/662138984.db2.gz WGFKMYSOMOGJTO-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC001011283022 662138982 /nfs/dbraw/zinc/13/89/82/662138982.db2.gz WGFKMYSOMOGJTO-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)O1 ZINC001011283022 662138981 /nfs/dbraw/zinc/13/89/81/662138981.db2.gz WGFKMYSOMOGJTO-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)O1 ZINC001011283022 662138979 /nfs/dbraw/zinc/13/89/79/662138979.db2.gz WGFKMYSOMOGJTO-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)O1 ZINC001011321240 662139496 /nfs/dbraw/zinc/13/94/96/662139496.db2.gz MOBFBWUZFGDVOH-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC001011321240 662139495 /nfs/dbraw/zinc/13/94/95/662139495.db2.gz MOBFBWUZFGDVOH-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)O1 ZINC001011321240 662139493 /nfs/dbraw/zinc/13/94/93/662139493.db2.gz MOBFBWUZFGDVOH-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)O1 ZINC001011321240 662139492 /nfs/dbraw/zinc/13/94/92/662139492.db2.gz MOBFBWUZFGDVOH-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001011321254 662139504 /nfs/dbraw/zinc/13/95/04/662139504.db2.gz NMZKAYPOMBKIOY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001011321254 662139503 /nfs/dbraw/zinc/13/95/03/662139503.db2.gz NMZKAYPOMBKIOY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321287 662139558 /nfs/dbraw/zinc/13/95/58/662139558.db2.gz HEHRTNIYZZBLHS-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321287 662139555 /nfs/dbraw/zinc/13/95/55/662139555.db2.gz HEHRTNIYZZBLHS-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321287 662139554 /nfs/dbraw/zinc/13/95/54/662139554.db2.gz HEHRTNIYZZBLHS-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321287 662139551 /nfs/dbraw/zinc/13/95/51/662139551.db2.gz HEHRTNIYZZBLHS-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321290 662139603 /nfs/dbraw/zinc/13/96/03/662139603.db2.gz HEHRTNIYZZBLHS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321290 662139601 /nfs/dbraw/zinc/13/96/01/662139601.db2.gz HEHRTNIYZZBLHS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321290 662139597 /nfs/dbraw/zinc/13/95/97/662139597.db2.gz HEHRTNIYZZBLHS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001011321290 662139595 /nfs/dbraw/zinc/13/95/95/662139595.db2.gz HEHRTNIYZZBLHS-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001011321363 662139529 /nfs/dbraw/zinc/13/95/29/662139529.db2.gz RIOCXWXMYDQSCO-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC001011321363 662139528 /nfs/dbraw/zinc/13/95/28/662139528.db2.gz RIOCXWXMYDQSCO-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC001011321363 662139526 /nfs/dbraw/zinc/13/95/26/662139526.db2.gz RIOCXWXMYDQSCO-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC001011321363 662139524 /nfs/dbraw/zinc/13/95/24/662139524.db2.gz RIOCXWXMYDQSCO-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001011321365 662139447 /nfs/dbraw/zinc/13/94/47/662139447.db2.gz RIOCXWXMYDQSCO-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC001011321365 662139446 /nfs/dbraw/zinc/13/94/46/662139446.db2.gz RIOCXWXMYDQSCO-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC001011321365 662139444 /nfs/dbraw/zinc/13/94/44/662139444.db2.gz RIOCXWXMYDQSCO-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC001011321365 662139443 /nfs/dbraw/zinc/13/94/43/662139443.db2.gz RIOCXWXMYDQSCO-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001011321366 662139471 /nfs/dbraw/zinc/13/94/71/662139471.db2.gz ROSJAKJYVVQKKF-BZUAXINKSA-N 2 1 354.495 -0.038 20 0 FBADMP CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001011321366 662139470 /nfs/dbraw/zinc/13/94/70/662139470.db2.gz ROSJAKJYVVQKKF-BZUAXINKSA-N 2 1 354.495 -0.038 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001011321392 662139810 /nfs/dbraw/zinc/13/98/10/662139810.db2.gz UEYJSKXKCJYWEZ-HUUCEWRRSA-N 2 1 350.463 -0.528 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001011321392 662139808 /nfs/dbraw/zinc/13/98/08/662139808.db2.gz UEYJSKXKCJYWEZ-HUUCEWRRSA-N 2 1 350.463 -0.528 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011322165 662139887 /nfs/dbraw/zinc/13/98/87/662139887.db2.gz KDUWRDLCODEIMF-ARFHVFGLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011322165 662139885 /nfs/dbraw/zinc/13/98/85/662139885.db2.gz KDUWRDLCODEIMF-ARFHVFGLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011322165 662139884 /nfs/dbraw/zinc/13/98/84/662139884.db2.gz KDUWRDLCODEIMF-ARFHVFGLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011322165 662139881 /nfs/dbraw/zinc/13/98/81/662139881.db2.gz KDUWRDLCODEIMF-ARFHVFGLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011322168 662139872 /nfs/dbraw/zinc/13/98/72/662139872.db2.gz KDUWRDLCODEIMF-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011322168 662139871 /nfs/dbraw/zinc/13/98/71/662139871.db2.gz KDUWRDLCODEIMF-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011322168 662139868 /nfs/dbraw/zinc/13/98/68/662139868.db2.gz KDUWRDLCODEIMF-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011322168 662139866 /nfs/dbraw/zinc/13/98/66/662139866.db2.gz KDUWRDLCODEIMF-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)O1 ZINC001011322224 662139852 /nfs/dbraw/zinc/13/98/52/662139852.db2.gz MOBFBWUZFGDVOH-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)O1 ZINC001011322224 662139851 /nfs/dbraw/zinc/13/98/51/662139851.db2.gz MOBFBWUZFGDVOH-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)O1 ZINC001011322224 662139848 /nfs/dbraw/zinc/13/98/48/662139848.db2.gz MOBFBWUZFGDVOH-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)O1 ZINC001011322224 662139846 /nfs/dbraw/zinc/13/98/46/662139846.db2.gz MOBFBWUZFGDVOH-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)CC[NH+]1C ZINC001014476987 662143055 /nfs/dbraw/zinc/14/30/55/662143055.db2.gz UJFJYYBQVUFCRG-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)CC[NH+]1C ZINC001014476987 662143052 /nfs/dbraw/zinc/14/30/52/662143052.db2.gz UJFJYYBQVUFCRG-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001014476987 662143050 /nfs/dbraw/zinc/14/30/50/662143050.db2.gz UJFJYYBQVUFCRG-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001014476987 662143047 /nfs/dbraw/zinc/14/30/47/662143047.db2.gz UJFJYYBQVUFCRG-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)CC[NH+]1C ZINC001014476989 662143037 /nfs/dbraw/zinc/14/30/37/662143037.db2.gz UJFJYYBQVUFCRG-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)CC[NH+]1C ZINC001014476989 662143032 /nfs/dbraw/zinc/14/30/32/662143032.db2.gz UJFJYYBQVUFCRG-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001014476989 662143029 /nfs/dbraw/zinc/14/30/29/662143029.db2.gz UJFJYYBQVUFCRG-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001014476989 662143027 /nfs/dbraw/zinc/14/30/27/662143027.db2.gz UJFJYYBQVUFCRG-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014482981 662143138 /nfs/dbraw/zinc/14/31/38/662143138.db2.gz JOXXHVUVISCQBJ-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014482981 662143137 /nfs/dbraw/zinc/14/31/37/662143137.db2.gz JOXXHVUVISCQBJ-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001014482981 662143136 /nfs/dbraw/zinc/14/31/36/662143136.db2.gz JOXXHVUVISCQBJ-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014482989 662142937 /nfs/dbraw/zinc/14/29/37/662142937.db2.gz JOXXHVUVISCQBJ-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014482989 662142933 /nfs/dbraw/zinc/14/29/33/662142933.db2.gz JOXXHVUVISCQBJ-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001014482989 662142928 /nfs/dbraw/zinc/14/29/28/662142928.db2.gz JOXXHVUVISCQBJ-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014504789 662143090 /nfs/dbraw/zinc/14/30/90/662143090.db2.gz XKVFTCVBKBBXIR-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014504789 662143089 /nfs/dbraw/zinc/14/30/89/662143089.db2.gz XKVFTCVBKBBXIR-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001014504789 662143088 /nfs/dbraw/zinc/14/30/88/662143088.db2.gz XKVFTCVBKBBXIR-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014504790 662143100 /nfs/dbraw/zinc/14/31/00/662143100.db2.gz XKVFTCVBKBBXIR-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001014504790 662143099 /nfs/dbraw/zinc/14/30/99/662143099.db2.gz XKVFTCVBKBBXIR-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001014504790 662143098 /nfs/dbraw/zinc/14/30/98/662143098.db2.gz XKVFTCVBKBBXIR-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001014506280 662143014 /nfs/dbraw/zinc/14/30/14/662143014.db2.gz GLTDOCGCWJPXTP-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001014506280 662143011 /nfs/dbraw/zinc/14/30/11/662143011.db2.gz GLTDOCGCWJPXTP-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001014506280 662143009 /nfs/dbraw/zinc/14/30/09/662143009.db2.gz GLTDOCGCWJPXTP-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001014506280 662143006 /nfs/dbraw/zinc/14/30/06/662143006.db2.gz GLTDOCGCWJPXTP-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001014506283 662143072 /nfs/dbraw/zinc/14/30/72/662143072.db2.gz GLTDOCGCWJPXTP-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001014506283 662143070 /nfs/dbraw/zinc/14/30/70/662143070.db2.gz GLTDOCGCWJPXTP-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001014506283 662143068 /nfs/dbraw/zinc/14/30/68/662143068.db2.gz GLTDOCGCWJPXTP-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001014506283 662143066 /nfs/dbraw/zinc/14/30/66/662143066.db2.gz GLTDOCGCWJPXTP-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001014919327 662143281 /nfs/dbraw/zinc/14/32/81/662143281.db2.gz HMKKCTABFQZXRY-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001014919327 662143279 /nfs/dbraw/zinc/14/32/79/662143279.db2.gz HMKKCTABFQZXRY-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001014919327 662143277 /nfs/dbraw/zinc/14/32/77/662143277.db2.gz HMKKCTABFQZXRY-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001014919327 662143275 /nfs/dbraw/zinc/14/32/75/662143275.db2.gz HMKKCTABFQZXRY-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001014919328 662143453 /nfs/dbraw/zinc/14/34/53/662143453.db2.gz HMKKCTABFQZXRY-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001014919328 662143451 /nfs/dbraw/zinc/14/34/51/662143451.db2.gz HMKKCTABFQZXRY-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001014919328 662143449 /nfs/dbraw/zinc/14/34/49/662143449.db2.gz HMKKCTABFQZXRY-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001014919328 662143448 /nfs/dbraw/zinc/14/34/48/662143448.db2.gz HMKKCTABFQZXRY-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001016530806 662146078 /nfs/dbraw/zinc/14/60/78/662146078.db2.gz DLSZZULMELGCDM-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001016530806 662146076 /nfs/dbraw/zinc/14/60/76/662146076.db2.gz DLSZZULMELGCDM-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001016678822 662146683 /nfs/dbraw/zinc/14/66/83/662146683.db2.gz AFCOWGLZEIEWLT-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001016678822 662146681 /nfs/dbraw/zinc/14/66/81/662146681.db2.gz AFCOWGLZEIEWLT-PRLABOORSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001016686263 662146924 /nfs/dbraw/zinc/14/69/24/662146924.db2.gz WOPICNMSCFOYTD-KFWWJZLASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001016686263 662146922 /nfs/dbraw/zinc/14/69/22/662146922.db2.gz WOPICNMSCFOYTD-KFWWJZLASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001016686264 662146992 /nfs/dbraw/zinc/14/69/92/662146992.db2.gz WOPICNMSCFOYTD-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001016686264 662146988 /nfs/dbraw/zinc/14/69/88/662146988.db2.gz WOPICNMSCFOYTD-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001018864920 662150049 /nfs/dbraw/zinc/15/00/49/662150049.db2.gz AOUWJQHAQWNMRM-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001018872312 662150045 /nfs/dbraw/zinc/15/00/45/662150045.db2.gz DHKBNFVBWFYBLM-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001018872868 662150057 /nfs/dbraw/zinc/15/00/57/662150057.db2.gz JPEPQAMYSYCXHH-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001019031474 662150563 /nfs/dbraw/zinc/15/05/63/662150563.db2.gz MSRQNGAHCQORHC-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001019031474 662150560 /nfs/dbraw/zinc/15/05/60/662150560.db2.gz MSRQNGAHCQORHC-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019032168 662150511 /nfs/dbraw/zinc/15/05/11/662150511.db2.gz JWCXXSOEIHDIKI-UHOFOFEASA-N 2 1 350.467 -0.195 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019032168 662150507 /nfs/dbraw/zinc/15/05/07/662150507.db2.gz JWCXXSOEIHDIKI-UHOFOFEASA-N 2 1 350.467 -0.195 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001019032420 662150355 /nfs/dbraw/zinc/15/03/55/662150355.db2.gz WNGFJHYYDDTKLG-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001019032420 662150354 /nfs/dbraw/zinc/15/03/54/662150354.db2.gz WNGFJHYYDDTKLG-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001020170972 662156645 /nfs/dbraw/zinc/15/66/45/662156645.db2.gz HEMMTRXXFHKZOF-KBUPBQIOSA-N 2 1 358.508 -0.401 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001020171913 662156788 /nfs/dbraw/zinc/15/67/88/662156788.db2.gz CTHXXYFYVXYBBX-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001020171914 662156837 /nfs/dbraw/zinc/15/68/37/662156837.db2.gz CTHXXYFYVXYBBX-XFIYOXNOSA-N 2 1 352.479 -0.189 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001020174453 662156796 /nfs/dbraw/zinc/15/67/96/662156796.db2.gz BNYNXDCPZZBONF-YHUYYLMFSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001020175544 662156703 /nfs/dbraw/zinc/15/67/03/662156703.db2.gz UVAYVUXIMYYLPV-XDQVBPFNSA-N 2 1 351.451 -0.495 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC001020274229 662157079 /nfs/dbraw/zinc/15/70/79/662157079.db2.gz IARJWGKFFNFVHZ-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC001020274229 662157078 /nfs/dbraw/zinc/15/70/78/662157078.db2.gz IARJWGKFFNFVHZ-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)O1 ZINC001020286558 662157430 /nfs/dbraw/zinc/15/74/30/662157430.db2.gz CPSCGBHDCZNUNZ-KJWHEZOQSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)O1 ZINC001020286558 662157429 /nfs/dbraw/zinc/15/74/29/662157429.db2.gz CPSCGBHDCZNUNZ-KJWHEZOQSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)O1 ZINC001020286559 662157309 /nfs/dbraw/zinc/15/73/09/662157309.db2.gz CPSCGBHDCZNUNZ-XLWJZTARSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)O1 ZINC001020286559 662157307 /nfs/dbraw/zinc/15/73/07/662157307.db2.gz CPSCGBHDCZNUNZ-XLWJZTARSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001020286729 662157272 /nfs/dbraw/zinc/15/72/72/662157272.db2.gz LDCYTXAWLVLVRX-OXGONZEZSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001020286729 662157269 /nfs/dbraw/zinc/15/72/69/662157269.db2.gz LDCYTXAWLVLVRX-OXGONZEZSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001020286730 662157281 /nfs/dbraw/zinc/15/72/81/662157281.db2.gz LDCYTXAWLVLVRX-YIDVYQOGSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001020286730 662157279 /nfs/dbraw/zinc/15/72/79/662157279.db2.gz LDCYTXAWLVLVRX-YIDVYQOGSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001020287033 662157435 /nfs/dbraw/zinc/15/74/35/662157435.db2.gz SDHATRVQTINJJE-AAVRWANBSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001020287033 662157433 /nfs/dbraw/zinc/15/74/33/662157433.db2.gz SDHATRVQTINJJE-AAVRWANBSA-N 2 1 352.435 -0.909 20 0 FBADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287135 662157326 /nfs/dbraw/zinc/15/73/26/662157326.db2.gz UERCVVVBQFKFBS-DGXTUMSLSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287135 662157324 /nfs/dbraw/zinc/15/73/24/662157324.db2.gz UERCVVVBQFKFBS-DGXTUMSLSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287136 662157254 /nfs/dbraw/zinc/15/72/54/662157254.db2.gz UERCVVVBQFKFBS-OXGONZEZSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287136 662157253 /nfs/dbraw/zinc/15/72/53/662157253.db2.gz UERCVVVBQFKFBS-OXGONZEZSA-N 2 1 352.479 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001020287755 662157407 /nfs/dbraw/zinc/15/74/07/662157407.db2.gz JRASGRCUUZTOPJ-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001020287755 662157405 /nfs/dbraw/zinc/15/74/05/662157405.db2.gz JRASGRCUUZTOPJ-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287901 662157393 /nfs/dbraw/zinc/15/73/93/662157393.db2.gz QGTWALQYZSCFNH-RAEVTNRLSA-N 2 1 350.467 -0.149 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287901 662157391 /nfs/dbraw/zinc/15/73/91/662157391.db2.gz QGTWALQYZSCFNH-RAEVTNRLSA-N 2 1 350.467 -0.149 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC001020456982 657130544 /nfs/dbraw/zinc/13/05/44/657130544.db2.gz YVEBUZDCKZCNBW-LYYZXLFJSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC001020456982 657130543 /nfs/dbraw/zinc/13/05/43/657130543.db2.gz YVEBUZDCKZCNBW-LYYZXLFJSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020456982 657130540 /nfs/dbraw/zinc/13/05/40/657130540.db2.gz YVEBUZDCKZCNBW-LYYZXLFJSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001020456982 657130538 /nfs/dbraw/zinc/13/05/38/657130538.db2.gz YVEBUZDCKZCNBW-LYYZXLFJSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001022103003 657441968 /nfs/dbraw/zinc/44/19/68/657441968.db2.gz CTHXXYFYVXYBBX-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001022103004 657441856 /nfs/dbraw/zinc/44/18/56/657441856.db2.gz CTHXXYFYVXYBBX-ZVDSWSACSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001022104931 657441940 /nfs/dbraw/zinc/44/19/40/657441940.db2.gz HEMMTRXXFHKZOF-APIJFGDWSA-N 2 1 358.508 -0.401 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001022109030 657442698 /nfs/dbraw/zinc/44/26/98/657442698.db2.gz BNYNXDCPZZBONF-XUWVNRHRSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001022109864 657442599 /nfs/dbraw/zinc/44/25/99/657442599.db2.gz UVAYVUXIMYYLPV-RFQIPJPRSA-N 2 1 351.451 -0.495 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)O1 ZINC001022274772 657458822 /nfs/dbraw/zinc/45/88/22/657458822.db2.gz CPSCGBHDCZNUNZ-ARILJUKYSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)O1 ZINC001022274772 657458819 /nfs/dbraw/zinc/45/88/19/657458819.db2.gz CPSCGBHDCZNUNZ-ARILJUKYSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)O1 ZINC001022274773 657458326 /nfs/dbraw/zinc/45/83/26/657458326.db2.gz CPSCGBHDCZNUNZ-QKGCVVFFSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)O1 ZINC001022274773 657458320 /nfs/dbraw/zinc/45/83/20/657458320.db2.gz CPSCGBHDCZNUNZ-QKGCVVFFSA-N 2 1 359.492 -0.623 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001022275400 657458417 /nfs/dbraw/zinc/45/84/17/657458417.db2.gz LDCYTXAWLVLVRX-DGADGQDISA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001022275400 657458412 /nfs/dbraw/zinc/45/84/12/657458412.db2.gz LDCYTXAWLVLVRX-DGADGQDISA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001022275402 657458589 /nfs/dbraw/zinc/45/85/89/657458589.db2.gz LDCYTXAWLVLVRX-DGXTUMSLSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001022275402 657458587 /nfs/dbraw/zinc/45/85/87/657458587.db2.gz LDCYTXAWLVLVRX-DGXTUMSLSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001022275805 657458269 /nfs/dbraw/zinc/45/82/69/657458269.db2.gz SDHATRVQTINJJE-YIYPIFLZSA-N 2 1 352.435 -0.909 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)O1 ZINC001022275805 657458264 /nfs/dbraw/zinc/45/82/64/657458264.db2.gz SDHATRVQTINJJE-YIYPIFLZSA-N 2 1 352.435 -0.909 20 0 FBADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275877 657458764 /nfs/dbraw/zinc/45/87/64/657458764.db2.gz UERCVVVBQFKFBS-IBEHDNSVSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275877 657458759 /nfs/dbraw/zinc/45/87/59/657458759.db2.gz UERCVVVBQFKFBS-IBEHDNSVSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275879 657458527 /nfs/dbraw/zinc/45/85/27/657458527.db2.gz UERCVVVBQFKFBS-RBGFHDKUSA-N 2 1 352.479 -0.048 20 0 FBADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275879 657458522 /nfs/dbraw/zinc/45/85/22/657458522.db2.gz UERCVVVBQFKFBS-RBGFHDKUSA-N 2 1 352.479 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001022276431 657458082 /nfs/dbraw/zinc/45/80/82/657458082.db2.gz JRASGRCUUZTOPJ-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001022276431 657458076 /nfs/dbraw/zinc/45/80/76/657458076.db2.gz JRASGRCUUZTOPJ-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276817 657458644 /nfs/dbraw/zinc/45/86/44/657458644.db2.gz QGTWALQYZSCFNH-BQDHKBFISA-N 2 1 350.467 -0.149 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276817 657458641 /nfs/dbraw/zinc/45/86/41/657458641.db2.gz QGTWALQYZSCFNH-BQDHKBFISA-N 2 1 350.467 -0.149 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001023207823 657731261 /nfs/dbraw/zinc/73/12/61/657731261.db2.gz HREMWHOPTLXGAM-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001023207824 657731453 /nfs/dbraw/zinc/73/14/53/657731453.db2.gz HREMWHOPTLXGAM-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001023214295 657736154 /nfs/dbraw/zinc/73/61/54/657736154.db2.gz FIKLCGLDCWGSQL-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001023214301 657736183 /nfs/dbraw/zinc/73/61/83/657736183.db2.gz FIKLCGLDCWGSQL-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001023216444 657734648 /nfs/dbraw/zinc/73/46/48/657734648.db2.gz HFWORPJYPOTMRY-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001023216446 657735255 /nfs/dbraw/zinc/73/52/55/657735255.db2.gz HFWORPJYPOTMRY-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216850 657735121 /nfs/dbraw/zinc/73/51/21/657735121.db2.gz OCOYBCLXUYSSMN-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216850 657735114 /nfs/dbraw/zinc/73/51/14/657735114.db2.gz OCOYBCLXUYSSMN-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216850 657735107 /nfs/dbraw/zinc/73/51/07/657735107.db2.gz OCOYBCLXUYSSMN-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216851 657734575 /nfs/dbraw/zinc/73/45/75/657734575.db2.gz OCOYBCLXUYSSMN-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216851 657734567 /nfs/dbraw/zinc/73/45/67/657734567.db2.gz OCOYBCLXUYSSMN-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216851 657734561 /nfs/dbraw/zinc/73/45/61/657734561.db2.gz OCOYBCLXUYSSMN-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001023216947 657735214 /nfs/dbraw/zinc/73/52/14/657735214.db2.gz QGBGFSLGGNQNED-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001023216948 657734748 /nfs/dbraw/zinc/73/47/48/657734748.db2.gz QGBGFSLGGNQNED-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023379906 657787369 /nfs/dbraw/zinc/78/73/69/657787369.db2.gz NXMFPASMJKZJHC-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023379906 657787362 /nfs/dbraw/zinc/78/73/62/657787362.db2.gz NXMFPASMJKZJHC-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023379906 657787356 /nfs/dbraw/zinc/78/73/56/657787356.db2.gz NXMFPASMJKZJHC-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023379906 657787348 /nfs/dbraw/zinc/78/73/48/657787348.db2.gz NXMFPASMJKZJHC-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023379907 657787167 /nfs/dbraw/zinc/78/71/67/657787167.db2.gz NXMFPASMJKZJHC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023379907 657787162 /nfs/dbraw/zinc/78/71/62/657787162.db2.gz NXMFPASMJKZJHC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023379907 657787159 /nfs/dbraw/zinc/78/71/59/657787159.db2.gz NXMFPASMJKZJHC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023379907 657787152 /nfs/dbraw/zinc/78/71/52/657787152.db2.gz NXMFPASMJKZJHC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)O1 ZINC001023450476 657810455 /nfs/dbraw/zinc/81/04/55/657810455.db2.gz GITAOIUQPQJDBP-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCn3cncn3)C2)O1 ZINC001023450476 657810452 /nfs/dbraw/zinc/81/04/52/657810452.db2.gz GITAOIUQPQJDBP-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCn3cncn3)C2)O1 ZINC001023450476 657810448 /nfs/dbraw/zinc/81/04/48/657810448.db2.gz GITAOIUQPQJDBP-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCn3cncn3)C2)O1 ZINC001023450476 657810442 /nfs/dbraw/zinc/81/04/42/657810442.db2.gz GITAOIUQPQJDBP-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)O1 ZINC001023450480 657810870 /nfs/dbraw/zinc/81/08/70/657810870.db2.gz GITAOIUQPQJDBP-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCn3cncn3)C2)O1 ZINC001023450480 657810860 /nfs/dbraw/zinc/81/08/60/657810860.db2.gz GITAOIUQPQJDBP-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCn3cncn3)C2)O1 ZINC001023450480 657810855 /nfs/dbraw/zinc/81/08/55/657810855.db2.gz GITAOIUQPQJDBP-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCn3cncn3)C2)O1 ZINC001023450480 657810845 /nfs/dbraw/zinc/81/08/45/657810845.db2.gz GITAOIUQPQJDBP-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001023451303 657810341 /nfs/dbraw/zinc/81/03/41/657810341.db2.gz NMPHUAZNRNHOOW-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001023451303 657810335 /nfs/dbraw/zinc/81/03/35/657810335.db2.gz NMPHUAZNRNHOOW-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCC3)C2)O1 ZINC001023451303 657810330 /nfs/dbraw/zinc/81/03/30/657810330.db2.gz NMPHUAZNRNHOOW-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCC3)C2)O1 ZINC001023451303 657810322 /nfs/dbraw/zinc/81/03/22/657810322.db2.gz NMPHUAZNRNHOOW-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001023451304 657810387 /nfs/dbraw/zinc/81/03/87/657810387.db2.gz NMPHUAZNRNHOOW-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001023451304 657810381 /nfs/dbraw/zinc/81/03/81/657810381.db2.gz NMPHUAZNRNHOOW-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCC3)C2)O1 ZINC001023451304 657810373 /nfs/dbraw/zinc/81/03/73/657810373.db2.gz NMPHUAZNRNHOOW-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCC3)C2)O1 ZINC001023451304 657810368 /nfs/dbraw/zinc/81/03/68/657810368.db2.gz NMPHUAZNRNHOOW-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023691763 657917635 /nfs/dbraw/zinc/91/76/35/657917635.db2.gz POXRLIBNKMQUIC-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023691764 657917748 /nfs/dbraw/zinc/91/77/48/657917748.db2.gz POXRLIBNKMQUIC-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001023694364 657918420 /nfs/dbraw/zinc/91/84/20/657918420.db2.gz ULHSTGYGTPMZNT-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001023694365 657918570 /nfs/dbraw/zinc/91/85/70/657918570.db2.gz ULHSTGYGTPMZNT-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023706498 657924252 /nfs/dbraw/zinc/92/42/52/657924252.db2.gz RYKDUYPMCVNGCX-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023706499 657924560 /nfs/dbraw/zinc/92/45/60/657924560.db2.gz RYKDUYPMCVNGCX-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)C1 ZINC001023782223 657949170 /nfs/dbraw/zinc/94/91/70/657949170.db2.gz HTLWAOLUBPUHLV-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)C1 ZINC001023782224 657949212 /nfs/dbraw/zinc/94/92/12/657949212.db2.gz HTLWAOLUBPUHLV-RRFJBIMHSA-N 2 1 350.463 -0.746 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001023783913 657951149 /nfs/dbraw/zinc/95/11/49/657951149.db2.gz PEANLCMXKQMDKH-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001023783915 657950891 /nfs/dbraw/zinc/95/08/91/657950891.db2.gz PEANLCMXKQMDKH-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001023786754 657952031 /nfs/dbraw/zinc/95/20/31/657952031.db2.gz AYABFYOFUSCWJJ-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001023786756 657952066 /nfs/dbraw/zinc/95/20/66/657952066.db2.gz AYABFYOFUSCWJJ-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023786833 657952207 /nfs/dbraw/zinc/95/22/07/657952207.db2.gz BUCWHNYJFDXXDE-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023786834 657952095 /nfs/dbraw/zinc/95/20/95/657952095.db2.gz BUCWHNYJFDXXDE-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023787598 657951981 /nfs/dbraw/zinc/95/19/81/657951981.db2.gz MKDAFEPQKJQBEI-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023787601 657951877 /nfs/dbraw/zinc/95/18/77/657951877.db2.gz MKDAFEPQKJQBEI-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788274 657952990 /nfs/dbraw/zinc/95/29/90/657952990.db2.gz UVCSLWJBPSDNIA-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788274 657952988 /nfs/dbraw/zinc/95/29/88/657952988.db2.gz UVCSLWJBPSDNIA-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788274 657952984 /nfs/dbraw/zinc/95/29/84/657952984.db2.gz UVCSLWJBPSDNIA-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788275 657953215 /nfs/dbraw/zinc/95/32/15/657953215.db2.gz UVCSLWJBPSDNIA-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788275 657953212 /nfs/dbraw/zinc/95/32/12/657953212.db2.gz UVCSLWJBPSDNIA-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788275 657953206 /nfs/dbraw/zinc/95/32/06/657953206.db2.gz UVCSLWJBPSDNIA-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795503 657956768 /nfs/dbraw/zinc/95/67/68/657956768.db2.gz JITMTNFIUYJCNC-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795505 657956472 /nfs/dbraw/zinc/95/64/72/657956472.db2.gz JITMTNFIUYJCNC-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001023795637 657956648 /nfs/dbraw/zinc/95/66/48/657956648.db2.gz LHJPADCHDXXHQT-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795790 657956869 /nfs/dbraw/zinc/95/68/69/657956869.db2.gz RZCBJPMXKKAFKC-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795791 657956606 /nfs/dbraw/zinc/95/66/06/657956606.db2.gz RZCBJPMXKKAFKC-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796568 657956551 /nfs/dbraw/zinc/95/65/51/657956551.db2.gz GQPUIRQOOJNZFT-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796569 657956905 /nfs/dbraw/zinc/95/69/05/657956905.db2.gz GQPUIRQOOJNZFT-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023797191 657957562 /nfs/dbraw/zinc/95/75/62/657957562.db2.gz WPWSOJPJJKENPE-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001023801390 657958605 /nfs/dbraw/zinc/95/86/05/657958605.db2.gz SPPNETKEDSFNKR-FMKPAKJESA-N 2 1 351.451 -0.534 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001023801391 657958303 /nfs/dbraw/zinc/95/83/03/657958303.db2.gz SPPNETKEDSFNKR-IIAWOOMASA-N 2 1 351.451 -0.534 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023967423 658005415 /nfs/dbraw/zinc/00/54/15/658005415.db2.gz AHKACPCWXLXJEP-DTZQCDIJSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2O)CC[NH+]1C ZINC001023967556 658005605 /nfs/dbraw/zinc/00/56/05/658005605.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)CC[NH+]1C ZINC001023967556 658005591 /nfs/dbraw/zinc/00/55/91/658005591.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001023967556 658005585 /nfs/dbraw/zinc/00/55/85/658005585.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)CC[N@H+]1C ZINC001023969044 658005430 /nfs/dbraw/zinc/00/54/30/658005430.db2.gz DUFFPYQQGMSUBE-KBUPBQIOSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)CC[N@H+]1C ZINC001023972075 658006927 /nfs/dbraw/zinc/00/69/27/658006927.db2.gz IWPXAPLDLJUQII-KBUPBQIOSA-N 2 1 350.463 -0.890 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023980534 658008937 /nfs/dbraw/zinc/00/89/37/658008937.db2.gz SVEYNNONQSDYMK-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023993095 658013041 /nfs/dbraw/zinc/01/30/41/658013041.db2.gz AAXLFRHQRLPYQT-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023993096 658013174 /nfs/dbraw/zinc/01/31/74/658013174.db2.gz AAXLFRHQRLPYQT-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001024037949 658027548 /nfs/dbraw/zinc/02/75/48/658027548.db2.gz CTWUXZVWYADZRA-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001024037949 658027539 /nfs/dbraw/zinc/02/75/39/658027539.db2.gz CTWUXZVWYADZRA-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001024037950 658027499 /nfs/dbraw/zinc/02/74/99/658027499.db2.gz CTWUXZVWYADZRA-MGPQQGTHSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001024037950 658027493 /nfs/dbraw/zinc/02/74/93/658027493.db2.gz CTWUXZVWYADZRA-MGPQQGTHSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ncnn3C)C2)O1 ZINC001024039028 658027424 /nfs/dbraw/zinc/02/74/24/658027424.db2.gz MVXMVMGRHRGANY-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ncnn3C)C2)O1 ZINC001024039029 658027262 /nfs/dbraw/zinc/02/72/62/658027262.db2.gz MVXMVMGRHRGANY-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001024039280 658028625 /nfs/dbraw/zinc/02/86/25/658028625.db2.gz STSAZOVPBQNXHH-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001024039280 658028612 /nfs/dbraw/zinc/02/86/12/658028612.db2.gz STSAZOVPBQNXHH-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001024039281 658028350 /nfs/dbraw/zinc/02/83/50/658028350.db2.gz STSAZOVPBQNXHH-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001024039281 658028335 /nfs/dbraw/zinc/02/83/35/658028335.db2.gz STSAZOVPBQNXHH-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnn(C)n3)C2)O1 ZINC001024039366 658028020 /nfs/dbraw/zinc/02/80/20/658028020.db2.gz VHQNYAOPNVAOHD-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnn(C)n3)C2)O1 ZINC001024039366 658028011 /nfs/dbraw/zinc/02/80/11/658028011.db2.gz VHQNYAOPNVAOHD-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnn(C)n3)C2)O1 ZINC001024039367 658028508 /nfs/dbraw/zinc/02/85/08/658028508.db2.gz VHQNYAOPNVAOHD-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnn(C)n3)C2)O1 ZINC001024039367 658028498 /nfs/dbraw/zinc/02/84/98/658028498.db2.gz VHQNYAOPNVAOHD-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cn(C)nn3)C2)O1 ZINC001024039509 658028183 /nfs/dbraw/zinc/02/81/83/658028183.db2.gz XSKPHWYQPZGELX-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cn(C)nn3)C2)O1 ZINC001024039509 658028173 /nfs/dbraw/zinc/02/81/73/658028173.db2.gz XSKPHWYQPZGELX-IIAWOOMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cn(C)nn3)C2)O1 ZINC001024039510 658028080 /nfs/dbraw/zinc/02/80/80/658028080.db2.gz XSKPHWYQPZGELX-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cn(C)nn3)C2)O1 ZINC001024039510 658028071 /nfs/dbraw/zinc/02/80/71/658028071.db2.gz XSKPHWYQPZGELX-IJEWVQPXSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nncn3C)C2)O1 ZINC001024039527 658028655 /nfs/dbraw/zinc/02/86/55/658028655.db2.gz YCFINXBPUFTRNX-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nncn3C)C2)O1 ZINC001024039527 658028643 /nfs/dbraw/zinc/02/86/43/658028643.db2.gz YCFINXBPUFTRNX-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nncn3C)C2)O1 ZINC001024039528 658028143 /nfs/dbraw/zinc/02/81/43/658028143.db2.gz YCFINXBPUFTRNX-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nncn3C)C2)O1 ZINC001024039528 658028137 /nfs/dbraw/zinc/02/81/37/658028137.db2.gz YCFINXBPUFTRNX-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024120424 658057501 /nfs/dbraw/zinc/05/75/01/658057501.db2.gz CGOJBNSDWBRQAH-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024120425 658057737 /nfs/dbraw/zinc/05/77/37/658057737.db2.gz CGOJBNSDWBRQAH-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024137666 658063170 /nfs/dbraw/zinc/06/31/70/658063170.db2.gz VPCSSJKFQRLREZ-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024137667 658062849 /nfs/dbraw/zinc/06/28/49/658062849.db2.gz VPCSSJKFQRLREZ-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2O)CC1 ZINC001024411490 658152500 /nfs/dbraw/zinc/15/25/00/658152500.db2.gz NVOCQQGOCFDWQU-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2O)CC1 ZINC001024411491 658152324 /nfs/dbraw/zinc/15/23/24/658152324.db2.gz NVOCQQGOCFDWQU-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415884 658148680 /nfs/dbraw/zinc/14/86/80/658148680.db2.gz FROZUCBXEMSAAG-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415885 658148848 /nfs/dbraw/zinc/14/88/48/658148848.db2.gz FROZUCBXEMSAAG-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001024415955 658148657 /nfs/dbraw/zinc/14/86/57/658148657.db2.gz GXNZOPSKKWLSSO-DTZQCDIJSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416421 658149672 /nfs/dbraw/zinc/14/96/72/658149672.db2.gz RBEKPBGFQWZWEQ-FVQBIDKESA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416423 658149851 /nfs/dbraw/zinc/14/98/51/658149851.db2.gz RBEKPBGFQWZWEQ-NUEKZKHPSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416485 658149924 /nfs/dbraw/zinc/14/99/24/658149924.db2.gz AEESTNQPBBFLMA-FVQBIDKESA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416486 658149827 /nfs/dbraw/zinc/14/98/27/658149827.db2.gz AEESTNQPBBFLMA-NUEKZKHPSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001024416624 658149743 /nfs/dbraw/zinc/14/97/43/658149743.db2.gz UBRRCEKHTVSHMJ-HZPDHXFCSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001024446775 658157789 /nfs/dbraw/zinc/15/77/89/658157789.db2.gz JCWYGFXWGCOQEJ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001024446775 658157779 /nfs/dbraw/zinc/15/77/79/658157779.db2.gz JCWYGFXWGCOQEJ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024446775 658157773 /nfs/dbraw/zinc/15/77/73/658157773.db2.gz JCWYGFXWGCOQEJ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001024446776 658157646 /nfs/dbraw/zinc/15/76/46/658157646.db2.gz JCWYGFXWGCOQEJ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001024446776 658157642 /nfs/dbraw/zinc/15/76/42/658157642.db2.gz JCWYGFXWGCOQEJ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024446776 658157633 /nfs/dbraw/zinc/15/76/33/658157633.db2.gz JCWYGFXWGCOQEJ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024498636 658185058 /nfs/dbraw/zinc/18/50/58/658185058.db2.gz HWIUWEGADWXWMR-QLFBSQMISA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024498637 658185329 /nfs/dbraw/zinc/18/53/29/658185329.db2.gz HWIUWEGADWXWMR-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CCC1 ZINC001024501251 658189245 /nfs/dbraw/zinc/18/92/45/658189245.db2.gz GZNKMNIGGTWWGV-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)CCC1 ZINC001024501252 658189112 /nfs/dbraw/zinc/18/91/12/658189112.db2.gz GZNKMNIGGTWWGV-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001024502710 658186304 /nfs/dbraw/zinc/18/63/04/658186304.db2.gz ZHPLVZZZQRQLEC-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001024502712 658186391 /nfs/dbraw/zinc/18/63/91/658186391.db2.gz ZHPLVZZZQRQLEC-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C1CCC1 ZINC001024504148 658188067 /nfs/dbraw/zinc/18/80/67/658188067.db2.gz OKNQKWRKIYLCDI-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C1CCC1 ZINC001024504148 658188064 /nfs/dbraw/zinc/18/80/64/658188064.db2.gz OKNQKWRKIYLCDI-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1)C1CCC1 ZINC001024504148 658188061 /nfs/dbraw/zinc/18/80/61/658188061.db2.gz OKNQKWRKIYLCDI-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C1CCC1 ZINC001024504150 658188178 /nfs/dbraw/zinc/18/81/78/658188178.db2.gz OKNQKWRKIYLCDI-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C1CCC1 ZINC001024504150 658188175 /nfs/dbraw/zinc/18/81/75/658188175.db2.gz OKNQKWRKIYLCDI-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCC1 ZINC001024504150 658188169 /nfs/dbraw/zinc/18/81/69/658188169.db2.gz OKNQKWRKIYLCDI-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)O1 ZINC001024507517 658192596 /nfs/dbraw/zinc/19/25/96/658192596.db2.gz VUFQCYSVVNWYKJ-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCn2cncn2)O1 ZINC001024507517 658192590 /nfs/dbraw/zinc/19/25/90/658192590.db2.gz VUFQCYSVVNWYKJ-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCn2cncn2)O1 ZINC001024507517 658192585 /nfs/dbraw/zinc/19/25/85/658192585.db2.gz VUFQCYSVVNWYKJ-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCn2cncn2)O1 ZINC001024507517 658192581 /nfs/dbraw/zinc/19/25/81/658192581.db2.gz VUFQCYSVVNWYKJ-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)O1 ZINC001024507518 658192244 /nfs/dbraw/zinc/19/22/44/658192244.db2.gz VUFQCYSVVNWYKJ-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCn2cncn2)O1 ZINC001024507518 658192236 /nfs/dbraw/zinc/19/22/36/658192236.db2.gz VUFQCYSVVNWYKJ-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCn2cncn2)O1 ZINC001024507518 658192232 /nfs/dbraw/zinc/19/22/32/658192232.db2.gz VUFQCYSVVNWYKJ-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCn2cncn2)O1 ZINC001024507518 658192225 /nfs/dbraw/zinc/19/22/25/658192225.db2.gz VUFQCYSVVNWYKJ-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001024699334 658266145 /nfs/dbraw/zinc/26/61/45/658266145.db2.gz OILOZIBCYOFKBR-FMKPAKJESA-N 2 1 351.451 -0.534 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001024699337 658266079 /nfs/dbraw/zinc/26/60/79/658266079.db2.gz OILOZIBCYOFKBR-IIAWOOMASA-N 2 1 351.451 -0.534 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024744435 658278020 /nfs/dbraw/zinc/27/80/20/658278020.db2.gz SIXHXBYVZLAXFD-QLFBSQMISA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024744436 658278164 /nfs/dbraw/zinc/27/81/64/658278164.db2.gz SIXHXBYVZLAXFD-RBSFLKMASA-N 2 1 350.463 -0.603 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001024746085 658278962 /nfs/dbraw/zinc/27/89/62/658278962.db2.gz YVBMMOFLPALPIE-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001024746086 658278873 /nfs/dbraw/zinc/27/88/73/658278873.db2.gz YVBMMOFLPALPIE-RRFJBIMHSA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001024773656 658286500 /nfs/dbraw/zinc/28/65/00/658286500.db2.gz CHJZBVRWFIZHCZ-RBSFLKMASA-N 2 1 350.463 -0.888 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001024773657 658286076 /nfs/dbraw/zinc/28/60/76/658286076.db2.gz CHJZBVRWFIZHCZ-RRFJBIMHSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001024776443 658289267 /nfs/dbraw/zinc/28/92/67/658289267.db2.gz BYWRCLIMVAVCGV-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001024776443 658289263 /nfs/dbraw/zinc/28/92/63/658289263.db2.gz BYWRCLIMVAVCGV-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001024776443 658289259 /nfs/dbraw/zinc/28/92/59/658289259.db2.gz BYWRCLIMVAVCGV-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001024776446 658289126 /nfs/dbraw/zinc/28/91/26/658289126.db2.gz BYWRCLIMVAVCGV-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001024776446 658289122 /nfs/dbraw/zinc/28/91/22/658289122.db2.gz BYWRCLIMVAVCGV-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001024776446 658289116 /nfs/dbraw/zinc/28/91/16/658289116.db2.gz BYWRCLIMVAVCGV-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001024776656 658289220 /nfs/dbraw/zinc/28/92/20/658289220.db2.gz IGMFWCYCDSZJEX-FVQBIDKESA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001024776657 658289392 /nfs/dbraw/zinc/28/93/92/658289392.db2.gz IGMFWCYCDSZJEX-NUEKZKHPSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001024779890 658289200 /nfs/dbraw/zinc/28/92/00/658289200.db2.gz WFHAEWOEFBNJHF-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001024779893 658289026 /nfs/dbraw/zinc/28/90/26/658289026.db2.gz WFHAEWOEFBNJHF-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787083 658291141 /nfs/dbraw/zinc/29/11/41/658291141.db2.gz CYDNXHBQLXWMKM-QLFBSQMISA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787086 658290961 /nfs/dbraw/zinc/29/09/61/658290961.db2.gz CYDNXHBQLXWMKM-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001024787378 658292173 /nfs/dbraw/zinc/29/21/73/658292173.db2.gz LGQRDQLNYVYIGO-HUUCEWRRSA-N 2 1 350.463 -0.746 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787693 658292121 /nfs/dbraw/zinc/29/21/21/658292121.db2.gz WBFNSNIIHPMITR-RBSFLKMASA-N 2 1 350.463 -0.888 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787695 658291957 /nfs/dbraw/zinc/29/19/57/658291957.db2.gz WBFNSNIIHPMITR-RRFJBIMHSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024788974 658292712 /nfs/dbraw/zinc/29/27/12/658292712.db2.gz SBLCOIBTBXRYLT-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024788975 658293064 /nfs/dbraw/zinc/29/30/64/658293064.db2.gz SBLCOIBTBXRYLT-RRFJBIMHSA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024789132 658292804 /nfs/dbraw/zinc/29/28/04/658292804.db2.gz WYGZMGSCENCBKY-RBSFLKMASA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024789133 658292957 /nfs/dbraw/zinc/29/29/57/658292957.db2.gz WYGZMGSCENCBKY-RRFJBIMHSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001024790879 658293044 /nfs/dbraw/zinc/29/30/44/658293044.db2.gz FPSWUHSVVYAJPA-KBUPBQIOSA-N 2 1 350.463 -0.890 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024966741 658342168 /nfs/dbraw/zinc/34/21/68/658342168.db2.gz BLSULZOXOVULGO-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001024999367 658351824 /nfs/dbraw/zinc/35/18/24/658351824.db2.gz QHGIRTQUPXFNFB-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001024999368 658351969 /nfs/dbraw/zinc/35/19/69/658351969.db2.gz QHGIRTQUPXFNFB-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001025000620 658351324 /nfs/dbraw/zinc/35/13/24/658351324.db2.gz HZHSRWNYGYRNGQ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001025000621 658350931 /nfs/dbraw/zinc/35/09/31/658350931.db2.gz HZHSRWNYGYRNGQ-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001025014530 658360169 /nfs/dbraw/zinc/36/01/69/658360169.db2.gz XGGLBJOUJJBDIB-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001025014530 658360158 /nfs/dbraw/zinc/36/01/58/658360158.db2.gz XGGLBJOUJJBDIB-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001025014530 658360144 /nfs/dbraw/zinc/36/01/44/658360144.db2.gz XGGLBJOUJJBDIB-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC001025135029 658391136 /nfs/dbraw/zinc/39/11/36/658391136.db2.gz RYVFYHHSBIZNNO-FXUDXRNXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC001025135029 658391125 /nfs/dbraw/zinc/39/11/25/658391125.db2.gz RYVFYHHSBIZNNO-FXUDXRNXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001025135029 658391115 /nfs/dbraw/zinc/39/11/15/658391115.db2.gz RYVFYHHSBIZNNO-FXUDXRNXSA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)[NH+](C)C ZINC001025135435 658390993 /nfs/dbraw/zinc/39/09/93/658390993.db2.gz ZTAXNGNIPQTBOC-QKPAOTATSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)[NH+](C)C ZINC001025136661 658391302 /nfs/dbraw/zinc/39/13/02/658391302.db2.gz ZTAXNGNIPQTBOC-QXSJWSMHSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)[NH+](C)C ZINC001025216346 658430716 /nfs/dbraw/zinc/43/07/16/658430716.db2.gz JDAHELMRFXHFSH-AALSBFMBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)[NH+](C)C ZINC001025216347 658430324 /nfs/dbraw/zinc/43/03/24/658430324.db2.gz JDAHELMRFXHFSH-ARKGTOAJSA-N 2 1 354.495 -0.255 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC[N@H+]1C ZINC001025216543 658431352 /nfs/dbraw/zinc/43/13/52/658431352.db2.gz NVNJDEWSZNXGPU-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)CC[NH+]1C ZINC001025216832 658431485 /nfs/dbraw/zinc/43/14/85/658431485.db2.gz UKPMNJYSZIDFRO-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)CC[NH+]1C ZINC001025216832 658431469 /nfs/dbraw/zinc/43/14/69/658431469.db2.gz UKPMNJYSZIDFRO-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2O)CC[N@H+]1C ZINC001025216832 658431460 /nfs/dbraw/zinc/43/14/60/658431460.db2.gz UKPMNJYSZIDFRO-AALSBFMBSA-N 2 1 352.479 -0.501 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)CC1 ZINC001025290633 658453844 /nfs/dbraw/zinc/45/38/44/658453844.db2.gz UWMWYMMCIAJELE-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)CC1 ZINC001025290634 658453895 /nfs/dbraw/zinc/45/38/95/658453895.db2.gz UWMWYMMCIAJELE-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)CC1 ZINC001025292309 658455316 /nfs/dbraw/zinc/45/53/16/658455316.db2.gz PBZDBIQUMLYILS-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)CC1 ZINC001025292310 658455254 /nfs/dbraw/zinc/45/52/54/658455254.db2.gz PBZDBIQUMLYILS-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001025683586 658582388 /nfs/dbraw/zinc/58/23/88/658582388.db2.gz PDQSIOUVAIYMAX-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001025683586 658582383 /nfs/dbraw/zinc/58/23/83/658582383.db2.gz PDQSIOUVAIYMAX-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001025683586 658582378 /nfs/dbraw/zinc/58/23/78/658582378.db2.gz PDQSIOUVAIYMAX-FVQBIDKESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001025683587 658582933 /nfs/dbraw/zinc/58/29/33/658582933.db2.gz PDQSIOUVAIYMAX-NUEKZKHPSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001025683587 658582931 /nfs/dbraw/zinc/58/29/31/658582931.db2.gz PDQSIOUVAIYMAX-NUEKZKHPSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001025683587 658582925 /nfs/dbraw/zinc/58/29/25/658582925.db2.gz PDQSIOUVAIYMAX-NUEKZKHPSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025683631 658583018 /nfs/dbraw/zinc/58/30/18/658583018.db2.gz QKKQQFWUMMYEFU-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025683632 658582745 /nfs/dbraw/zinc/58/27/45/658582745.db2.gz QKKQQFWUMMYEFU-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025683764 658582557 /nfs/dbraw/zinc/58/25/57/658582557.db2.gz RKJOAMOLNZLTRX-RBSFLKMASA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025683765 658582211 /nfs/dbraw/zinc/58/22/11/658582211.db2.gz RKJOAMOLNZLTRX-RRFJBIMHSA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025684544 658582109 /nfs/dbraw/zinc/58/21/09/658582109.db2.gz LOWRURZXXCDIQE-RBSFLKMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025684545 658582667 /nfs/dbraw/zinc/58/26/67/658582667.db2.gz LOWRURZXXCDIQE-RRFJBIMHSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001025685599 658583734 /nfs/dbraw/zinc/58/37/34/658583734.db2.gz OUPOXKDOYFBKSG-RBSFLKMASA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001025685600 658583540 /nfs/dbraw/zinc/58/35/40/658583540.db2.gz OUPOXKDOYFBKSG-RRFJBIMHSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001025687146 658586291 /nfs/dbraw/zinc/58/62/91/658586291.db2.gz MVSAETXOFKKMQM-FVQBIDKESA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001025687171 658586420 /nfs/dbraw/zinc/58/64/20/658586420.db2.gz MVSAETXOFKKMQM-NUEKZKHPSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)C1 ZINC001025687441 658587619 /nfs/dbraw/zinc/58/76/19/658587619.db2.gz TWHILTMQRYGNON-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)C1 ZINC001025687442 658587540 /nfs/dbraw/zinc/58/75/40/658587540.db2.gz TWHILTMQRYGNON-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687515 658587132 /nfs/dbraw/zinc/58/71/32/658587132.db2.gz VREXVWKUOROYGK-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687515 658587123 /nfs/dbraw/zinc/58/71/23/658587123.db2.gz VREXVWKUOROYGK-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687515 658587115 /nfs/dbraw/zinc/58/71/15/658587115.db2.gz VREXVWKUOROYGK-FVQBIDKESA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687516 658587272 /nfs/dbraw/zinc/58/72/72/658587272.db2.gz VREXVWKUOROYGK-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687516 658587265 /nfs/dbraw/zinc/58/72/65/658587265.db2.gz VREXVWKUOROYGK-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687516 658587259 /nfs/dbraw/zinc/58/72/59/658587259.db2.gz VREXVWKUOROYGK-NUEKZKHPSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001025688690 658588606 /nfs/dbraw/zinc/58/86/06/658588606.db2.gz SWTNUASHJKMBSP-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001025688690 658588601 /nfs/dbraw/zinc/58/86/01/658588601.db2.gz SWTNUASHJKMBSP-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001025688690 658588594 /nfs/dbraw/zinc/58/85/94/658588594.db2.gz SWTNUASHJKMBSP-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001025688691 658588470 /nfs/dbraw/zinc/58/84/70/658588470.db2.gz SWTNUASHJKMBSP-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001025688691 658588465 /nfs/dbraw/zinc/58/84/65/658588465.db2.gz SWTNUASHJKMBSP-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001025688691 658588456 /nfs/dbraw/zinc/58/84/56/658588456.db2.gz SWTNUASHJKMBSP-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)[NH+](C)C ZINC001025691062 658589599 /nfs/dbraw/zinc/58/95/99/658589599.db2.gz UXEFBPUCKUFUJF-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)[NH+](C)C ZINC001025691063 658589402 /nfs/dbraw/zinc/58/94/02/658589402.db2.gz UXEFBPUCKUFUJF-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001025691107 658589290 /nfs/dbraw/zinc/58/92/90/658589290.db2.gz XBDLQSIJCSCJBC-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001025691305 658589656 /nfs/dbraw/zinc/58/96/56/658589656.db2.gz ZKDUWDCMTPHPQH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001025691305 658589648 /nfs/dbraw/zinc/58/96/48/658589648.db2.gz ZKDUWDCMTPHPQH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001025691305 658589643 /nfs/dbraw/zinc/58/96/43/658589643.db2.gz ZKDUWDCMTPHPQH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001025691307 658589514 /nfs/dbraw/zinc/58/95/14/658589514.db2.gz ZKDUWDCMTPHPQH-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001025691307 658589510 /nfs/dbraw/zinc/58/95/10/658589510.db2.gz ZKDUWDCMTPHPQH-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001025691307 658589509 /nfs/dbraw/zinc/58/95/09/658589509.db2.gz ZKDUWDCMTPHPQH-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793995 658637771 /nfs/dbraw/zinc/63/77/71/658637771.db2.gz HWEYWDLJNDVBAN-JQOWZUPLSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793995 658637763 /nfs/dbraw/zinc/63/77/63/658637763.db2.gz HWEYWDLJNDVBAN-JQOWZUPLSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025793995 658637750 /nfs/dbraw/zinc/63/77/50/658637750.db2.gz HWEYWDLJNDVBAN-JQOWZUPLSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025793995 658637737 /nfs/dbraw/zinc/63/77/37/658637737.db2.gz HWEYWDLJNDVBAN-JQOWZUPLSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794005 658637938 /nfs/dbraw/zinc/63/79/38/658637938.db2.gz HWEYWDLJNDVBAN-UKRFAEJPSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794005 658637928 /nfs/dbraw/zinc/63/79/28/658637928.db2.gz HWEYWDLJNDVBAN-UKRFAEJPSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025794005 658637922 /nfs/dbraw/zinc/63/79/22/658637922.db2.gz HWEYWDLJNDVBAN-UKRFAEJPSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025794005 658637911 /nfs/dbraw/zinc/63/79/11/658637911.db2.gz HWEYWDLJNDVBAN-UKRFAEJPSA-N 2 1 355.504 -0.192 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818229 658643098 /nfs/dbraw/zinc/64/30/98/658643098.db2.gz FFUWZWMMMBDDAR-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818229 658643092 /nfs/dbraw/zinc/64/30/92/658643092.db2.gz FFUWZWMMMBDDAR-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818229 658643083 /nfs/dbraw/zinc/64/30/83/658643083.db2.gz FFUWZWMMMBDDAR-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818229 658643077 /nfs/dbraw/zinc/64/30/77/658643077.db2.gz FFUWZWMMMBDDAR-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818230 658642974 /nfs/dbraw/zinc/64/29/74/658642974.db2.gz FFUWZWMMMBDDAR-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818230 658642971 /nfs/dbraw/zinc/64/29/71/658642971.db2.gz FFUWZWMMMBDDAR-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818230 658642959 /nfs/dbraw/zinc/64/29/59/658642959.db2.gz FFUWZWMMMBDDAR-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@H]32)O1 ZINC001025818230 658642951 /nfs/dbraw/zinc/64/29/51/658642951.db2.gz FFUWZWMMMBDDAR-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001025818499 658643283 /nfs/dbraw/zinc/64/32/83/658643283.db2.gz ZAUORIPSRCIONF-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001025818499 658643276 /nfs/dbraw/zinc/64/32/76/658643276.db2.gz ZAUORIPSRCIONF-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1=O ZINC001025818499 658643268 /nfs/dbraw/zinc/64/32/68/658643268.db2.gz ZAUORIPSRCIONF-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1=O ZINC001025818499 658643261 /nfs/dbraw/zinc/64/32/61/658643261.db2.gz ZAUORIPSRCIONF-AQGHMYMLSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001025818500 658643362 /nfs/dbraw/zinc/64/33/62/658643362.db2.gz ZAUORIPSRCIONF-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001025818500 658643352 /nfs/dbraw/zinc/64/33/52/658643352.db2.gz ZAUORIPSRCIONF-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1=O ZINC001025818500 658643347 /nfs/dbraw/zinc/64/33/47/658643347.db2.gz ZAUORIPSRCIONF-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1=O ZINC001025818500 658643341 /nfs/dbraw/zinc/64/33/41/658643341.db2.gz ZAUORIPSRCIONF-XMEMRUQMSA-N 2 1 350.463 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001026514380 658683722 /nfs/dbraw/zinc/68/37/22/658683722.db2.gz CBGMCJLVNIDCPD-PRLABOORSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001026514380 658683715 /nfs/dbraw/zinc/68/37/15/658683715.db2.gz CBGMCJLVNIDCPD-PRLABOORSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nnnn3C)CC2)O1 ZINC001026514850 658683507 /nfs/dbraw/zinc/68/35/07/658683507.db2.gz UDVPUDFINVDSHP-BLYZHGLHSA-N 2 1 351.455 -0.554 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nnnn3C)CC2)O1 ZINC001026514850 658683498 /nfs/dbraw/zinc/68/34/98/658683498.db2.gz UDVPUDFINVDSHP-BLYZHGLHSA-N 2 1 351.455 -0.554 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001026855923 658710207 /nfs/dbraw/zinc/71/02/07/658710207.db2.gz QATNHYIHTHUTQU-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001026855924 658710278 /nfs/dbraw/zinc/71/02/78/658710278.db2.gz QATNHYIHTHUTQU-MELADBBJSA-N 2 1 350.467 -0.223 20 0 FBADMP CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026915368 658712588 /nfs/dbraw/zinc/71/25/88/658712588.db2.gz PIOCMDDOWHPMCR-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026915368 658712582 /nfs/dbraw/zinc/71/25/82/658712582.db2.gz PIOCMDDOWHPMCR-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026915369 658712298 /nfs/dbraw/zinc/71/22/98/658712298.db2.gz PIOCMDDOWHPMCR-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026915369 658712289 /nfs/dbraw/zinc/71/22/89/658712289.db2.gz PIOCMDDOWHPMCR-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916964 658712264 /nfs/dbraw/zinc/71/22/64/658712264.db2.gz UCVPRMTZBHZIDW-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916964 658712257 /nfs/dbraw/zinc/71/22/57/658712257.db2.gz UCVPRMTZBHZIDW-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916965 658712568 /nfs/dbraw/zinc/71/25/68/658712568.db2.gz UCVPRMTZBHZIDW-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916965 658712563 /nfs/dbraw/zinc/71/25/63/658712563.db2.gz UCVPRMTZBHZIDW-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917093 658712134 /nfs/dbraw/zinc/71/21/34/658712134.db2.gz VPKGKNUXTOFCDP-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917093 658712126 /nfs/dbraw/zinc/71/21/26/658712126.db2.gz VPKGKNUXTOFCDP-IIAWOOMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917094 658712167 /nfs/dbraw/zinc/71/21/67/658712167.db2.gz VPKGKNUXTOFCDP-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917094 658712159 /nfs/dbraw/zinc/71/21/59/658712159.db2.gz VPKGKNUXTOFCDP-IJEWVQPXSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917311 658712453 /nfs/dbraw/zinc/71/24/53/658712453.db2.gz ZMOPUVGMYHZDPR-QLFBSQMISA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917311 658712446 /nfs/dbraw/zinc/71/24/46/658712446.db2.gz ZMOPUVGMYHZDPR-QLFBSQMISA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917312 658712605 /nfs/dbraw/zinc/71/26/05/658712605.db2.gz ZMOPUVGMYHZDPR-RBSFLKMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917312 658712600 /nfs/dbraw/zinc/71/26/00/658712600.db2.gz ZMOPUVGMYHZDPR-RBSFLKMASA-N 2 1 350.467 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)O1 ZINC001027465377 658795427 /nfs/dbraw/zinc/79/54/27/658795427.db2.gz VUSYVUFNHJDFDO-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC001027465377 658795422 /nfs/dbraw/zinc/79/54/22/658795422.db2.gz VUSYVUFNHJDFDO-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCn3cncn3)C2)O1 ZINC001027465377 658795415 /nfs/dbraw/zinc/79/54/15/658795415.db2.gz VUSYVUFNHJDFDO-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)O1 ZINC001027465377 658795412 /nfs/dbraw/zinc/79/54/12/658795412.db2.gz VUSYVUFNHJDFDO-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)O1 ZINC001027465379 658795480 /nfs/dbraw/zinc/79/54/80/658795480.db2.gz VUSYVUFNHJDFDO-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC001027465379 658795477 /nfs/dbraw/zinc/79/54/77/658795477.db2.gz VUSYVUFNHJDFDO-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCn3cncn3)C2)O1 ZINC001027465379 658795468 /nfs/dbraw/zinc/79/54/68/658795468.db2.gz VUSYVUFNHJDFDO-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)O1 ZINC001027465379 658795462 /nfs/dbraw/zinc/79/54/62/658795462.db2.gz VUSYVUFNHJDFDO-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001027888059 658848403 /nfs/dbraw/zinc/84/84/03/658848403.db2.gz FCABNJTZBSXLAU-INMHGKMJSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001027888059 658848398 /nfs/dbraw/zinc/84/83/98/658848398.db2.gz FCABNJTZBSXLAU-INMHGKMJSA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001027888060 658848035 /nfs/dbraw/zinc/84/80/35/658848035.db2.gz FCABNJTZBSXLAU-UXLLHSPISA-N 2 1 352.479 -0.201 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001027888060 658848028 /nfs/dbraw/zinc/84/80/28/658848028.db2.gz FCABNJTZBSXLAU-UXLLHSPISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027892540 658848245 /nfs/dbraw/zinc/84/82/45/658848245.db2.gz YQMLRVGCNZBIPG-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027892540 658848236 /nfs/dbraw/zinc/84/82/36/658848236.db2.gz YQMLRVGCNZBIPG-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027892540 658848229 /nfs/dbraw/zinc/84/82/29/658848229.db2.gz YQMLRVGCNZBIPG-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027892540 658848226 /nfs/dbraw/zinc/84/82/26/658848226.db2.gz YQMLRVGCNZBIPG-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027892541 658847924 /nfs/dbraw/zinc/84/79/24/658847924.db2.gz YQMLRVGCNZBIPG-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027892541 658847920 /nfs/dbraw/zinc/84/79/20/658847920.db2.gz YQMLRVGCNZBIPG-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027892541 658847913 /nfs/dbraw/zinc/84/79/13/658847913.db2.gz YQMLRVGCNZBIPG-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027892541 658847905 /nfs/dbraw/zinc/84/79/05/658847905.db2.gz YQMLRVGCNZBIPG-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001027893488 658848157 /nfs/dbraw/zinc/84/81/57/658848157.db2.gz XPDCZMXNRADZDO-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001027893488 658848146 /nfs/dbraw/zinc/84/81/46/658848146.db2.gz XPDCZMXNRADZDO-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001027893488 658848136 /nfs/dbraw/zinc/84/81/36/658848136.db2.gz XPDCZMXNRADZDO-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001027893489 658847827 /nfs/dbraw/zinc/84/78/27/658847827.db2.gz XPDCZMXNRADZDO-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001027893489 658847821 /nfs/dbraw/zinc/84/78/21/658847821.db2.gz XPDCZMXNRADZDO-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001027893489 658847815 /nfs/dbraw/zinc/84/78/15/658847815.db2.gz XPDCZMXNRADZDO-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001027894550 658848290 /nfs/dbraw/zinc/84/82/90/658848290.db2.gz NIVJKRNBEKEAAG-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001027894552 658848086 /nfs/dbraw/zinc/84/80/86/658848086.db2.gz NIVJKRNBEKEAAG-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)O1 ZINC001027965382 658856878 /nfs/dbraw/zinc/85/68/78/658856878.db2.gz ALBATJXMXVVCTA-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001027965382 658856873 /nfs/dbraw/zinc/85/68/73/658856873.db2.gz ALBATJXMXVVCTA-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCCC2=O)O1 ZINC001027965382 658856868 /nfs/dbraw/zinc/85/68/68/658856868.db2.gz ALBATJXMXVVCTA-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCCC2=O)O1 ZINC001027965382 658856862 /nfs/dbraw/zinc/85/68/62/658856862.db2.gz ALBATJXMXVVCTA-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)O1 ZINC001027965383 658856480 /nfs/dbraw/zinc/85/64/80/658856480.db2.gz ALBATJXMXVVCTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001027965383 658856473 /nfs/dbraw/zinc/85/64/73/658856473.db2.gz ALBATJXMXVVCTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCCC2=O)O1 ZINC001027965383 658856465 /nfs/dbraw/zinc/85/64/65/658856465.db2.gz ALBATJXMXVVCTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCCC2=O)O1 ZINC001027965383 658856456 /nfs/dbraw/zinc/85/64/56/658856456.db2.gz ALBATJXMXVVCTA-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)O1 ZINC001027966234 658856636 /nfs/dbraw/zinc/85/66/36/658856636.db2.gz MHKZRQFXVNWDAK-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCN2CCNC2=O)O1 ZINC001027966234 658856630 /nfs/dbraw/zinc/85/66/30/658856630.db2.gz MHKZRQFXVNWDAK-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)O1 ZINC001027966234 658856625 /nfs/dbraw/zinc/85/66/25/658856625.db2.gz MHKZRQFXVNWDAK-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)O1 ZINC001027966234 658856619 /nfs/dbraw/zinc/85/66/19/658856619.db2.gz MHKZRQFXVNWDAK-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)O1 ZINC001027966235 658856269 /nfs/dbraw/zinc/85/62/69/658856269.db2.gz MHKZRQFXVNWDAK-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCN2CCNC2=O)O1 ZINC001027966235 658856260 /nfs/dbraw/zinc/85/62/60/658856260.db2.gz MHKZRQFXVNWDAK-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCNC2=O)O1 ZINC001027966235 658856255 /nfs/dbraw/zinc/85/62/55/658856255.db2.gz MHKZRQFXVNWDAK-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCNC2=O)O1 ZINC001027966235 658856244 /nfs/dbraw/zinc/85/62/44/658856244.db2.gz MHKZRQFXVNWDAK-RBSFLKMASA-N 2 1 353.467 -0.689 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001028547502 658927164 /nfs/dbraw/zinc/92/71/64/658927164.db2.gz WOWCXGPCFOGVLA-LXZKKBNFSA-N 2 1 352.479 -0.343 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001028547503 658927345 /nfs/dbraw/zinc/92/73/45/658927345.db2.gz WOWCXGPCFOGVLA-UNEWFSDZSA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001028549664 658927199 /nfs/dbraw/zinc/92/71/99/658927199.db2.gz UPAPIFHEFFCARJ-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001028549664 658927195 /nfs/dbraw/zinc/92/71/95/658927195.db2.gz UPAPIFHEFFCARJ-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001028549664 658927193 /nfs/dbraw/zinc/92/71/93/658927193.db2.gz UPAPIFHEFFCARJ-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001028549665 658927363 /nfs/dbraw/zinc/92/73/63/658927363.db2.gz UPAPIFHEFFCARJ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001028549665 658927361 /nfs/dbraw/zinc/92/73/61/658927361.db2.gz UPAPIFHEFFCARJ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001028549665 658927359 /nfs/dbraw/zinc/92/73/59/658927359.db2.gz UPAPIFHEFFCARJ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028549955 658927456 /nfs/dbraw/zinc/92/74/56/658927456.db2.gz CSQCGYOIFXHPNV-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028549955 658927455 /nfs/dbraw/zinc/92/74/55/658927455.db2.gz CSQCGYOIFXHPNV-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001028549955 658927454 /nfs/dbraw/zinc/92/74/54/658927454.db2.gz CSQCGYOIFXHPNV-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028549956 658927306 /nfs/dbraw/zinc/92/73/06/658927306.db2.gz CSQCGYOIFXHPNV-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028549956 658927305 /nfs/dbraw/zinc/92/73/05/658927305.db2.gz CSQCGYOIFXHPNV-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001028549956 658927299 /nfs/dbraw/zinc/92/72/99/658927299.db2.gz CSQCGYOIFXHPNV-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001028550517 658927429 /nfs/dbraw/zinc/92/74/29/658927429.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001028550517 658927426 /nfs/dbraw/zinc/92/74/26/658927426.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001028550517 658927423 /nfs/dbraw/zinc/92/74/23/658927423.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001028550517 658927421 /nfs/dbraw/zinc/92/74/21/658927421.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001028550519 658927281 /nfs/dbraw/zinc/92/72/81/658927281.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001028550519 658927279 /nfs/dbraw/zinc/92/72/79/658927279.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001028550519 658927277 /nfs/dbraw/zinc/92/72/77/658927277.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 2 1 350.467 -0.223 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001028550519 658927273 /nfs/dbraw/zinc/92/72/73/658927273.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028550656 658927403 /nfs/dbraw/zinc/92/74/03/658927403.db2.gz FZANBUATDZOJJL-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028550656 658927399 /nfs/dbraw/zinc/92/73/99/658927399.db2.gz FZANBUATDZOJJL-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001028550656 658927398 /nfs/dbraw/zinc/92/73/98/658927398.db2.gz FZANBUATDZOJJL-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028550657 658927107 /nfs/dbraw/zinc/92/71/07/658927107.db2.gz FZANBUATDZOJJL-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028550657 658927105 /nfs/dbraw/zinc/92/71/05/658927105.db2.gz FZANBUATDZOJJL-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001028550657 658927099 /nfs/dbraw/zinc/92/70/99/658927099.db2.gz FZANBUATDZOJJL-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001028629373 658942058 /nfs/dbraw/zinc/94/20/58/658942058.db2.gz KRYIYIQJIBCFRA-QLFBSQMISA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001028629373 658942057 /nfs/dbraw/zinc/94/20/57/658942057.db2.gz KRYIYIQJIBCFRA-QLFBSQMISA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001028629373 658942054 /nfs/dbraw/zinc/94/20/54/658942054.db2.gz KRYIYIQJIBCFRA-QLFBSQMISA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001028629373 658942052 /nfs/dbraw/zinc/94/20/52/658942052.db2.gz KRYIYIQJIBCFRA-QLFBSQMISA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001028629374 658942021 /nfs/dbraw/zinc/94/20/21/658942021.db2.gz KRYIYIQJIBCFRA-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001028629374 658942018 /nfs/dbraw/zinc/94/20/18/658942018.db2.gz KRYIYIQJIBCFRA-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001028629374 658942016 /nfs/dbraw/zinc/94/20/16/658942016.db2.gz KRYIYIQJIBCFRA-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001028629374 658942012 /nfs/dbraw/zinc/94/20/12/658942012.db2.gz KRYIYIQJIBCFRA-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629469 658942347 /nfs/dbraw/zinc/94/23/47/658942347.db2.gz NAGULPGETLVQKC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629469 658942343 /nfs/dbraw/zinc/94/23/43/658942343.db2.gz NAGULPGETLVQKC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629469 658942339 /nfs/dbraw/zinc/94/23/39/658942339.db2.gz NAGULPGETLVQKC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629469 658942336 /nfs/dbraw/zinc/94/23/36/658942336.db2.gz NAGULPGETLVQKC-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629470 658942299 /nfs/dbraw/zinc/94/22/99/658942299.db2.gz NAGULPGETLVQKC-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629470 658942296 /nfs/dbraw/zinc/94/22/96/658942296.db2.gz NAGULPGETLVQKC-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629470 658942293 /nfs/dbraw/zinc/94/22/93/658942293.db2.gz NAGULPGETLVQKC-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001028629470 658942290 /nfs/dbraw/zinc/94/22/90/658942290.db2.gz NAGULPGETLVQKC-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001028629844 658942327 /nfs/dbraw/zinc/94/23/27/658942327.db2.gz UMTQDRIOHVFRHR-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001028629844 658942325 /nfs/dbraw/zinc/94/23/25/658942325.db2.gz UMTQDRIOHVFRHR-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001028629844 658942321 /nfs/dbraw/zinc/94/23/21/658942321.db2.gz UMTQDRIOHVFRHR-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001028629844 658942319 /nfs/dbraw/zinc/94/23/19/658942319.db2.gz UMTQDRIOHVFRHR-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001028629845 658942148 /nfs/dbraw/zinc/94/21/48/658942148.db2.gz UMTQDRIOHVFRHR-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001028629845 658942144 /nfs/dbraw/zinc/94/21/44/658942144.db2.gz UMTQDRIOHVFRHR-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001028629845 658942140 /nfs/dbraw/zinc/94/21/40/658942140.db2.gz UMTQDRIOHVFRHR-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001028629845 658942139 /nfs/dbraw/zinc/94/21/39/658942139.db2.gz UMTQDRIOHVFRHR-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001028630011 658942092 /nfs/dbraw/zinc/94/20/92/658942092.db2.gz WOAKITOJLOFDMD-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001028630011 658942091 /nfs/dbraw/zinc/94/20/91/658942091.db2.gz WOAKITOJLOFDMD-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001028630011 658942088 /nfs/dbraw/zinc/94/20/88/658942088.db2.gz WOAKITOJLOFDMD-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001028630011 658942085 /nfs/dbraw/zinc/94/20/85/658942085.db2.gz WOAKITOJLOFDMD-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001028630012 658942003 /nfs/dbraw/zinc/94/20/03/658942003.db2.gz WOAKITOJLOFDMD-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001028630012 658942001 /nfs/dbraw/zinc/94/20/01/658942001.db2.gz WOAKITOJLOFDMD-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001028630012 658941998 /nfs/dbraw/zinc/94/19/98/658941998.db2.gz WOAKITOJLOFDMD-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001028630012 658941995 /nfs/dbraw/zinc/94/19/95/658941995.db2.gz WOAKITOJLOFDMD-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710800 658954721 /nfs/dbraw/zinc/95/47/21/658954721.db2.gz ZZYBLNQSBPVMGW-BBWFWOEESA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710801 658954525 /nfs/dbraw/zinc/95/45/25/658954525.db2.gz ZZYBLNQSBPVMGW-ZACQAIPSSA-N 2 1 355.479 -0.049 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)O1 ZINC001029356208 659012542 /nfs/dbraw/zinc/01/25/42/659012542.db2.gz FCKXVCLOBCIYKH-IBEHDNSVSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)O1 ZINC001029356209 659012062 /nfs/dbraw/zinc/01/20/62/659012062.db2.gz FCKXVCLOBCIYKH-RBGFHDKUSA-N 2 1 350.463 -0.341 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)O1 ZINC001029356323 659012290 /nfs/dbraw/zinc/01/22/90/659012290.db2.gz JVNJERIADFAXDV-IBEHDNSVSA-N 2 1 350.463 -0.389 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)O1 ZINC001029356324 659012396 /nfs/dbraw/zinc/01/23/96/659012396.db2.gz JVNJERIADFAXDV-RBGFHDKUSA-N 2 1 350.463 -0.389 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001029742052 659882040 /nfs/dbraw/zinc/88/20/40/659882040.db2.gz JRXDVKIEJVMZHS-HZSPNIEDSA-N 2 1 350.467 -0.271 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001029742053 659882130 /nfs/dbraw/zinc/88/21/30/659882130.db2.gz JRXDVKIEJVMZHS-MGPQQGTHSA-N 2 1 350.467 -0.271 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001029973478 659909264 /nfs/dbraw/zinc/90/92/64/659909264.db2.gz DIIDOCGGTGGKPO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001029973478 659909262 /nfs/dbraw/zinc/90/92/62/659909262.db2.gz DIIDOCGGTGGKPO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001029973478 659909260 /nfs/dbraw/zinc/90/92/60/659909260.db2.gz DIIDOCGGTGGKPO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001029973478 659909256 /nfs/dbraw/zinc/90/92/56/659909256.db2.gz DIIDOCGGTGGKPO-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001029973479 659909421 /nfs/dbraw/zinc/90/94/21/659909421.db2.gz DIIDOCGGTGGKPO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001029973479 659909420 /nfs/dbraw/zinc/90/94/20/659909420.db2.gz DIIDOCGGTGGKPO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001029973479 659909419 /nfs/dbraw/zinc/90/94/19/659909419.db2.gz DIIDOCGGTGGKPO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001029973479 659909417 /nfs/dbraw/zinc/90/94/17/659909417.db2.gz DIIDOCGGTGGKPO-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001031681203 660212250 /nfs/dbraw/zinc/21/22/50/660212250.db2.gz IGSJPKGRCFRXQK-TZMCWYRMSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001031681847 660212520 /nfs/dbraw/zinc/21/25/20/660212520.db2.gz MBBKUICFPSFTTK-VNQPRFMTSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001031682856 660212554 /nfs/dbraw/zinc/21/25/54/660212554.db2.gz XXPDEZCLUZAQJT-UKRRQHHQSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001031682856 660212553 /nfs/dbraw/zinc/21/25/53/660212553.db2.gz XXPDEZCLUZAQJT-UKRRQHHQSA-N 2 1 358.508 -0.590 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001031684535 660212517 /nfs/dbraw/zinc/21/25/17/660212517.db2.gz RWHHWNLDNZRZAB-LSDHHAIUSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001031684535 660212516 /nfs/dbraw/zinc/21/25/16/660212516.db2.gz RWHHWNLDNZRZAB-LSDHHAIUSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001031686165 660212839 /nfs/dbraw/zinc/21/28/39/660212839.db2.gz KNOMPDADBMOMBO-UONOGXRCSA-N 2 1 351.451 -0.684 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001031686165 660212838 /nfs/dbraw/zinc/21/28/38/660212838.db2.gz KNOMPDADBMOMBO-UONOGXRCSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCN3CCCC3=O)C2)O1 ZINC001031763665 660225391 /nfs/dbraw/zinc/22/53/91/660225391.db2.gz GHJJIKOGDYDGBG-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCN3CCCC3=O)C2)O1 ZINC001031763665 660225390 /nfs/dbraw/zinc/22/53/90/660225390.db2.gz GHJJIKOGDYDGBG-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)O1 ZINC001031763904 660225386 /nfs/dbraw/zinc/22/53/86/660225386.db2.gz NDPKKCQLCYTRFE-FVQBIDKESA-N 2 1 351.451 -0.989 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)O1 ZINC001031763904 660225385 /nfs/dbraw/zinc/22/53/85/660225385.db2.gz NDPKKCQLCYTRFE-FVQBIDKESA-N 2 1 351.451 -0.989 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)O1 ZINC001031763905 660225410 /nfs/dbraw/zinc/22/54/10/660225410.db2.gz NDPKKCQLCYTRFE-VNQPRFMTSA-N 2 1 351.451 -0.989 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)O1 ZINC001031763905 660225409 /nfs/dbraw/zinc/22/54/09/660225409.db2.gz NDPKKCQLCYTRFE-VNQPRFMTSA-N 2 1 351.451 -0.989 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001031765981 660225678 /nfs/dbraw/zinc/22/56/78/660225678.db2.gz XLCHIHJMOOOPDX-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001031765981 660225677 /nfs/dbraw/zinc/22/56/77/660225677.db2.gz XLCHIHJMOOOPDX-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001031765982 660225889 /nfs/dbraw/zinc/22/58/89/660225889.db2.gz XLCHIHJMOOOPDX-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001031765982 660225887 /nfs/dbraw/zinc/22/58/87/660225887.db2.gz XLCHIHJMOOOPDX-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)CC[NH+]1C ZINC001032826527 660442568 /nfs/dbraw/zinc/44/25/68/660442568.db2.gz CEJSOPRAQSIGHU-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)CC[NH+]1C ZINC001032826527 660442567 /nfs/dbraw/zinc/44/25/67/660442567.db2.gz CEJSOPRAQSIGHU-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001032826527 660442566 /nfs/dbraw/zinc/44/25/66/660442566.db2.gz CEJSOPRAQSIGHU-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)CC[NH+]1C ZINC001032836460 660457476 /nfs/dbraw/zinc/45/74/76/660457476.db2.gz CEJSOPRAQSIGHU-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)CC[NH+]1C ZINC001032836460 660457475 /nfs/dbraw/zinc/45/74/75/660457475.db2.gz CEJSOPRAQSIGHU-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001032836460 660457474 /nfs/dbraw/zinc/45/74/74/660457474.db2.gz CEJSOPRAQSIGHU-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001033090861 660468828 /nfs/dbraw/zinc/46/88/28/660468828.db2.gz FHYOJONEBBSYLL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001033090861 660468825 /nfs/dbraw/zinc/46/88/25/660468825.db2.gz FHYOJONEBBSYLL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001033090863 660468734 /nfs/dbraw/zinc/46/87/34/660468734.db2.gz FHYOJONEBBSYLL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001033090863 660468733 /nfs/dbraw/zinc/46/87/33/660468733.db2.gz FHYOJONEBBSYLL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033095498 660468987 /nfs/dbraw/zinc/46/89/87/660468987.db2.gz YQZTUUMCZGAWCB-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033095498 660468985 /nfs/dbraw/zinc/46/89/85/660468985.db2.gz YQZTUUMCZGAWCB-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001033095498 660468984 /nfs/dbraw/zinc/46/89/84/660468984.db2.gz YQZTUUMCZGAWCB-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001033095498 660468982 /nfs/dbraw/zinc/46/89/82/660468982.db2.gz YQZTUUMCZGAWCB-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033095499 660469083 /nfs/dbraw/zinc/46/90/83/660469083.db2.gz YQZTUUMCZGAWCB-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033095499 660469082 /nfs/dbraw/zinc/46/90/82/660469082.db2.gz YQZTUUMCZGAWCB-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001033095499 660469081 /nfs/dbraw/zinc/46/90/81/660469081.db2.gz YQZTUUMCZGAWCB-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001033095499 660469079 /nfs/dbraw/zinc/46/90/79/660469079.db2.gz YQZTUUMCZGAWCB-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001033185273 660479263 /nfs/dbraw/zinc/47/92/63/660479263.db2.gz MUTFNHPOEBEPPK-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001033185273 660479262 /nfs/dbraw/zinc/47/92/62/660479262.db2.gz MUTFNHPOEBEPPK-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001033185273 660479259 /nfs/dbraw/zinc/47/92/59/660479259.db2.gz MUTFNHPOEBEPPK-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001033185273 660479257 /nfs/dbraw/zinc/47/92/57/660479257.db2.gz MUTFNHPOEBEPPK-BZUAXINKSA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001033185274 660479280 /nfs/dbraw/zinc/47/92/80/660479280.db2.gz MUTFNHPOEBEPPK-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001033185274 660479279 /nfs/dbraw/zinc/47/92/79/660479279.db2.gz MUTFNHPOEBEPPK-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001033185274 660479276 /nfs/dbraw/zinc/47/92/76/660479276.db2.gz MUTFNHPOEBEPPK-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001033185274 660479275 /nfs/dbraw/zinc/47/92/75/660479275.db2.gz MUTFNHPOEBEPPK-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001033198027 660479704 /nfs/dbraw/zinc/47/97/04/660479704.db2.gz UTYPPCDQGLALIL-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001033198027 660479702 /nfs/dbraw/zinc/47/97/02/660479702.db2.gz UTYPPCDQGLALIL-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001033198027 660479697 /nfs/dbraw/zinc/47/96/97/660479697.db2.gz UTYPPCDQGLALIL-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001033198027 660479692 /nfs/dbraw/zinc/47/96/92/660479692.db2.gz UTYPPCDQGLALIL-QLFBSQMISA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001033198031 660479568 /nfs/dbraw/zinc/47/95/68/660479568.db2.gz UTYPPCDQGLALIL-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001033198031 660479567 /nfs/dbraw/zinc/47/95/67/660479567.db2.gz UTYPPCDQGLALIL-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001033198031 660479566 /nfs/dbraw/zinc/47/95/66/660479566.db2.gz UTYPPCDQGLALIL-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001033198031 660479564 /nfs/dbraw/zinc/47/95/64/660479564.db2.gz UTYPPCDQGLALIL-RBSFLKMASA-N 2 1 353.467 -0.737 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033869964 660493693 /nfs/dbraw/zinc/49/36/93/660493693.db2.gz XIJSWUYSSGKIPI-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033869964 660493692 /nfs/dbraw/zinc/49/36/92/660493692.db2.gz XIJSWUYSSGKIPI-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033869964 660493691 /nfs/dbraw/zinc/49/36/91/660493691.db2.gz XIJSWUYSSGKIPI-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033869964 660493690 /nfs/dbraw/zinc/49/36/90/660493690.db2.gz XIJSWUYSSGKIPI-BZUAXINKSA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033869965 660493754 /nfs/dbraw/zinc/49/37/54/660493754.db2.gz XIJSWUYSSGKIPI-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033869965 660493752 /nfs/dbraw/zinc/49/37/52/660493752.db2.gz XIJSWUYSSGKIPI-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033869965 660493751 /nfs/dbraw/zinc/49/37/51/660493751.db2.gz XIJSWUYSSGKIPI-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033869965 660493750 /nfs/dbraw/zinc/49/37/50/660493750.db2.gz XIJSWUYSSGKIPI-OWCLPIDISA-N 2 1 350.467 -0.080 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001034215128 660495946 /nfs/dbraw/zinc/49/59/46/660495946.db2.gz WEXKYNVMYAUPSZ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001034215128 660495943 /nfs/dbraw/zinc/49/59/43/660495943.db2.gz WEXKYNVMYAUPSZ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001034215128 660495940 /nfs/dbraw/zinc/49/59/40/660495940.db2.gz WEXKYNVMYAUPSZ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001034215130 660496075 /nfs/dbraw/zinc/49/60/75/660496075.db2.gz WEXKYNVMYAUPSZ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001034215130 660496074 /nfs/dbraw/zinc/49/60/74/660496074.db2.gz WEXKYNVMYAUPSZ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001034215130 660496072 /nfs/dbraw/zinc/49/60/72/660496072.db2.gz WEXKYNVMYAUPSZ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCn3cncn3)C2)O1 ZINC001034270675 660496265 /nfs/dbraw/zinc/49/62/65/660496265.db2.gz CNBXNBHRHKNMRP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCn3cncn3)C2)O1 ZINC001034270675 660496262 /nfs/dbraw/zinc/49/62/62/660496262.db2.gz CNBXNBHRHKNMRP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCn3cncn3)C2)O1 ZINC001034270675 660496260 /nfs/dbraw/zinc/49/62/60/660496260.db2.gz CNBXNBHRHKNMRP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCn3cncn3)C2)O1 ZINC001034270675 660496257 /nfs/dbraw/zinc/49/62/57/660496257.db2.gz CNBXNBHRHKNMRP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCn3cncn3)C2)O1 ZINC001034270676 660496401 /nfs/dbraw/zinc/49/64/01/660496401.db2.gz CNBXNBHRHKNMRP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CCn3cncn3)C2)O1 ZINC001034270676 660496397 /nfs/dbraw/zinc/49/63/97/660496397.db2.gz CNBXNBHRHKNMRP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCn3cncn3)C2)O1 ZINC001034270676 660496396 /nfs/dbraw/zinc/49/63/96/660496396.db2.gz CNBXNBHRHKNMRP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCn3cncn3)C2)O1 ZINC001034270676 660496393 /nfs/dbraw/zinc/49/63/93/660496393.db2.gz CNBXNBHRHKNMRP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001034571583 660499091 /nfs/dbraw/zinc/49/90/91/660499091.db2.gz QBWDDUIJZLZFHP-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001034571583 660499090 /nfs/dbraw/zinc/49/90/90/660499090.db2.gz QBWDDUIJZLZFHP-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001034571585 660498989 /nfs/dbraw/zinc/49/89/89/660498989.db2.gz QBWDDUIJZLZFHP-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001034571585 660498987 /nfs/dbraw/zinc/49/89/87/660498987.db2.gz QBWDDUIJZLZFHP-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001034647554 660499296 /nfs/dbraw/zinc/49/92/96/660499296.db2.gz LIEAROOOFIGMIC-AAVRWANBSA-N 2 1 350.467 -0.034 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001034673851 660499824 /nfs/dbraw/zinc/49/98/24/660499824.db2.gz CBGMCJLVNIDCPD-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001034673851 660499822 /nfs/dbraw/zinc/49/98/22/660499822.db2.gz CBGMCJLVNIDCPD-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001034674935 660499924 /nfs/dbraw/zinc/49/99/24/660499924.db2.gz LWRYHRIGFKWMAR-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001034674935 660499922 /nfs/dbraw/zinc/49/99/22/660499922.db2.gz LWRYHRIGFKWMAR-DGXTUMSLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001034674937 660499615 /nfs/dbraw/zinc/49/96/15/660499615.db2.gz LWRYHRIGFKWMAR-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001034674937 660499613 /nfs/dbraw/zinc/49/96/13/660499613.db2.gz LWRYHRIGFKWMAR-OXGONZEZSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C)CC2)O1 ZINC001034675956 660499917 /nfs/dbraw/zinc/49/99/17/660499917.db2.gz UDVPUDFINVDSHP-AAVRWANBSA-N 2 1 351.455 -0.554 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C)CC2)O1 ZINC001034675956 660499916 /nfs/dbraw/zinc/49/99/16/660499916.db2.gz UDVPUDFINVDSHP-AAVRWANBSA-N 2 1 351.455 -0.554 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001034941207 660502056 /nfs/dbraw/zinc/50/20/56/660502056.db2.gz MJQOHJHVKOPXJZ-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CNC(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035196905 660502798 /nfs/dbraw/zinc/50/27/98/660502798.db2.gz GTXHYLOPYSWQNS-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035196905 660502795 /nfs/dbraw/zinc/50/27/95/660502795.db2.gz GTXHYLOPYSWQNS-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035196905 660502793 /nfs/dbraw/zinc/50/27/93/660502793.db2.gz GTXHYLOPYSWQNS-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035196905 660502791 /nfs/dbraw/zinc/50/27/91/660502791.db2.gz GTXHYLOPYSWQNS-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035197982 660502840 /nfs/dbraw/zinc/50/28/40/660502840.db2.gz YKDKJMGTXKZZKY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035197982 660502839 /nfs/dbraw/zinc/50/28/39/660502839.db2.gz YKDKJMGTXKZZKY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197982 660502838 /nfs/dbraw/zinc/50/28/38/660502838.db2.gz YKDKJMGTXKZZKY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197982 660502833 /nfs/dbraw/zinc/50/28/33/660502833.db2.gz YKDKJMGTXKZZKY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035197983 660502913 /nfs/dbraw/zinc/50/29/13/660502913.db2.gz YKDKJMGTXKZZKY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035197983 660502911 /nfs/dbraw/zinc/50/29/11/660502911.db2.gz YKDKJMGTXKZZKY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197983 660502910 /nfs/dbraw/zinc/50/29/10/660502910.db2.gz YKDKJMGTXKZZKY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197983 660502909 /nfs/dbraw/zinc/50/29/09/660502909.db2.gz YKDKJMGTXKZZKY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)CCO2)O1 ZINC001035414943 660504935 /nfs/dbraw/zinc/50/49/35/660504935.db2.gz DXRCBHIDAOOZJC-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)CCO2)O1 ZINC001035414943 660504934 /nfs/dbraw/zinc/50/49/34/660504934.db2.gz DXRCBHIDAOOZJC-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCO2)O1 ZINC001035414943 660504932 /nfs/dbraw/zinc/50/49/32/660504932.db2.gz DXRCBHIDAOOZJC-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCO2)O1 ZINC001035414943 660504930 /nfs/dbraw/zinc/50/49/30/660504930.db2.gz DXRCBHIDAOOZJC-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)CCO2)O1 ZINC001035414944 660504954 /nfs/dbraw/zinc/50/49/54/660504954.db2.gz DXRCBHIDAOOZJC-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CC3CCOCC3)CCO2)O1 ZINC001035414944 660504953 /nfs/dbraw/zinc/50/49/53/660504953.db2.gz DXRCBHIDAOOZJC-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCO2)O1 ZINC001035414944 660504951 /nfs/dbraw/zinc/50/49/51/660504951.db2.gz DXRCBHIDAOOZJC-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCO2)O1 ZINC001035414944 660504950 /nfs/dbraw/zinc/50/49/50/660504950.db2.gz DXRCBHIDAOOZJC-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038269413 657775044 /nfs/dbraw/zinc/77/50/44/657775044.db2.gz PGJHVOZLBGDFJI-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038269413 657775039 /nfs/dbraw/zinc/77/50/39/657775039.db2.gz PGJHVOZLBGDFJI-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001038269413 657775035 /nfs/dbraw/zinc/77/50/35/657775035.db2.gz PGJHVOZLBGDFJI-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001038269413 657775025 /nfs/dbraw/zinc/77/50/25/657775025.db2.gz PGJHVOZLBGDFJI-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038269417 657774932 /nfs/dbraw/zinc/77/49/32/657774932.db2.gz PGJHVOZLBGDFJI-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038269417 657774926 /nfs/dbraw/zinc/77/49/26/657774926.db2.gz PGJHVOZLBGDFJI-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001038269417 657774921 /nfs/dbraw/zinc/77/49/21/657774921.db2.gz PGJHVOZLBGDFJI-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001038269417 657774918 /nfs/dbraw/zinc/77/49/18/657774918.db2.gz PGJHVOZLBGDFJI-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038274110 662158484 /nfs/dbraw/zinc/15/84/84/662158484.db2.gz WMDGPNHHRFHWNX-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038274110 662158483 /nfs/dbraw/zinc/15/84/83/662158483.db2.gz WMDGPNHHRFHWNX-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001038274110 662158482 /nfs/dbraw/zinc/15/84/82/662158482.db2.gz WMDGPNHHRFHWNX-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001038274110 662158481 /nfs/dbraw/zinc/15/84/81/662158481.db2.gz WMDGPNHHRFHWNX-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038274111 662158662 /nfs/dbraw/zinc/15/86/62/662158662.db2.gz WMDGPNHHRFHWNX-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001038274111 662158661 /nfs/dbraw/zinc/15/86/61/662158661.db2.gz WMDGPNHHRFHWNX-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001038274111 662158660 /nfs/dbraw/zinc/15/86/60/662158660.db2.gz WMDGPNHHRFHWNX-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001038274111 662158658 /nfs/dbraw/zinc/15/86/58/662158658.db2.gz WMDGPNHHRFHWNX-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC001039135520 662160782 /nfs/dbraw/zinc/16/07/82/662160782.db2.gz GNJDZVIMPLWNKH-FVQBIDKESA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)O1 ZINC001039135520 662160779 /nfs/dbraw/zinc/16/07/79/662160779.db2.gz GNJDZVIMPLWNKH-FVQBIDKESA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001039135520 662160778 /nfs/dbraw/zinc/16/07/78/662160778.db2.gz GNJDZVIMPLWNKH-FVQBIDKESA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001039135520 662160775 /nfs/dbraw/zinc/16/07/75/662160775.db2.gz GNJDZVIMPLWNKH-FVQBIDKESA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC001039135524 662160673 /nfs/dbraw/zinc/16/06/73/662160673.db2.gz GNJDZVIMPLWNKH-VNQPRFMTSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CC[N@H+](CC(N)=O)C3)CC2)O1 ZINC001039135524 662160671 /nfs/dbraw/zinc/16/06/71/662160671.db2.gz GNJDZVIMPLWNKH-VNQPRFMTSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001039135524 662160668 /nfs/dbraw/zinc/16/06/68/662160668.db2.gz GNJDZVIMPLWNKH-VNQPRFMTSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001039135524 662160666 /nfs/dbraw/zinc/16/06/66/662160666.db2.gz GNJDZVIMPLWNKH-VNQPRFMTSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039857738 662163585 /nfs/dbraw/zinc/16/35/85/662163585.db2.gz GMNIPMXIPAYAGW-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039857740 662163609 /nfs/dbraw/zinc/16/36/09/662163609.db2.gz GMNIPMXIPAYAGW-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858582 662163988 /nfs/dbraw/zinc/16/39/88/662163988.db2.gz QWLSSQWSTBAQIS-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858582 662163984 /nfs/dbraw/zinc/16/39/84/662163984.db2.gz QWLSSQWSTBAQIS-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858582 662163982 /nfs/dbraw/zinc/16/39/82/662163982.db2.gz QWLSSQWSTBAQIS-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858583 662163866 /nfs/dbraw/zinc/16/38/66/662163866.db2.gz QWLSSQWSTBAQIS-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858583 662163864 /nfs/dbraw/zinc/16/38/64/662163864.db2.gz QWLSSQWSTBAQIS-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858583 662163862 /nfs/dbraw/zinc/16/38/62/662163862.db2.gz QWLSSQWSTBAQIS-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858889 662163962 /nfs/dbraw/zinc/16/39/62/662163962.db2.gz VENUZMQOORWGIM-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858891 662163849 /nfs/dbraw/zinc/16/38/49/662163849.db2.gz VENUZMQOORWGIM-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859126 662163926 /nfs/dbraw/zinc/16/39/26/662163926.db2.gz YAQAGWMJRYWMNA-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039859126 662163923 /nfs/dbraw/zinc/16/39/23/662163923.db2.gz YAQAGWMJRYWMNA-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039859126 662163922 /nfs/dbraw/zinc/16/39/22/662163922.db2.gz YAQAGWMJRYWMNA-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859128 662164042 /nfs/dbraw/zinc/16/40/42/662164042.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039859128 662164039 /nfs/dbraw/zinc/16/40/39/662164039.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039859128 662164036 /nfs/dbraw/zinc/16/40/36/662164036.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001039864388 662163879 /nfs/dbraw/zinc/16/38/79/662163879.db2.gz BNPMZHHXHJGAKQ-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001039864390 662164032 /nfs/dbraw/zinc/16/40/32/662164032.db2.gz BNPMZHHXHJGAKQ-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001039867367 662164274 /nfs/dbraw/zinc/16/42/74/662164274.db2.gz HTEZCFNCDVIFJI-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001039867368 662164252 /nfs/dbraw/zinc/16/42/52/662164252.db2.gz HTEZCFNCDVIFJI-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039868195 662164280 /nfs/dbraw/zinc/16/42/80/662164280.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039868195 662164279 /nfs/dbraw/zinc/16/42/79/662164279.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039868195 662164278 /nfs/dbraw/zinc/16/42/78/662164278.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039868196 662164315 /nfs/dbraw/zinc/16/43/15/662164315.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039868196 662164313 /nfs/dbraw/zinc/16/43/13/662164313.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039868196 662164311 /nfs/dbraw/zinc/16/43/11/662164311.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040103874 662165316 /nfs/dbraw/zinc/16/53/16/662165316.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040103874 662165313 /nfs/dbraw/zinc/16/53/13/662165313.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040103874 662165310 /nfs/dbraw/zinc/16/53/10/662165310.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040103875 662165218 /nfs/dbraw/zinc/16/52/18/662165218.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040103875 662165217 /nfs/dbraw/zinc/16/52/17/662165217.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040103875 662165214 /nfs/dbraw/zinc/16/52/14/662165214.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040449822 662170437 /nfs/dbraw/zinc/17/04/37/662170437.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040449822 662170434 /nfs/dbraw/zinc/17/04/34/662170434.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040449822 662170432 /nfs/dbraw/zinc/17/04/32/662170432.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040449823 662170570 /nfs/dbraw/zinc/17/05/70/662170570.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040449823 662170568 /nfs/dbraw/zinc/17/05/68/662170568.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040449823 662170566 /nfs/dbraw/zinc/17/05/66/662170566.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040718509 662173050 /nfs/dbraw/zinc/17/30/50/662173050.db2.gz MDWOBKVCCDXPFZ-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040718510 662173045 /nfs/dbraw/zinc/17/30/45/662173045.db2.gz MDWOBKVCCDXPFZ-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745271 662173379 /nfs/dbraw/zinc/17/33/79/662173379.db2.gz KLMUFHCCPVSQHY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745271 662173375 /nfs/dbraw/zinc/17/33/75/662173375.db2.gz KLMUFHCCPVSQHY-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745272 662173295 /nfs/dbraw/zinc/17/32/95/662173295.db2.gz KLMUFHCCPVSQHY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745272 662173293 /nfs/dbraw/zinc/17/32/93/662173293.db2.gz KLMUFHCCPVSQHY-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745815 662173403 /nfs/dbraw/zinc/17/34/03/662173403.db2.gz QBEZDBKZDIYSEE-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745815 662173400 /nfs/dbraw/zinc/17/34/00/662173400.db2.gz QBEZDBKZDIYSEE-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001040800990 662174017 /nfs/dbraw/zinc/17/40/17/662174017.db2.gz LZFGZDXOXVUVOK-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001040800991 662173931 /nfs/dbraw/zinc/17/39/31/662173931.db2.gz LZFGZDXOXVUVOK-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040901197 662174966 /nfs/dbraw/zinc/17/49/66/662174966.db2.gz GJZFVUPPCLWIRU-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040901197 662174964 /nfs/dbraw/zinc/17/49/64/662174964.db2.gz GJZFVUPPCLWIRU-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040901197 662174962 /nfs/dbraw/zinc/17/49/62/662174962.db2.gz GJZFVUPPCLWIRU-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040901199 662174924 /nfs/dbraw/zinc/17/49/24/662174924.db2.gz GJZFVUPPCLWIRU-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040901199 662174923 /nfs/dbraw/zinc/17/49/23/662174923.db2.gz GJZFVUPPCLWIRU-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040901199 662174921 /nfs/dbraw/zinc/17/49/21/662174921.db2.gz GJZFVUPPCLWIRU-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404344 662201725 /nfs/dbraw/zinc/20/17/25/662201725.db2.gz SOTXRTNJUNCOPY-IIDMSEBBSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404344 662201723 /nfs/dbraw/zinc/20/17/23/662201723.db2.gz SOTXRTNJUNCOPY-IIDMSEBBSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404344 662201722 /nfs/dbraw/zinc/20/17/22/662201722.db2.gz SOTXRTNJUNCOPY-IIDMSEBBSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404344 662201720 /nfs/dbraw/zinc/20/17/20/662201720.db2.gz SOTXRTNJUNCOPY-IIDMSEBBSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404348 662201629 /nfs/dbraw/zinc/20/16/29/662201629.db2.gz SOTXRTNJUNCOPY-RKVPGOIHSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404348 662201627 /nfs/dbraw/zinc/20/16/27/662201627.db2.gz SOTXRTNJUNCOPY-RKVPGOIHSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404348 662201625 /nfs/dbraw/zinc/20/16/25/662201625.db2.gz SOTXRTNJUNCOPY-RKVPGOIHSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001041404348 662201623 /nfs/dbraw/zinc/20/16/23/662201623.db2.gz SOTXRTNJUNCOPY-RKVPGOIHSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001042103081 662207355 /nfs/dbraw/zinc/20/73/55/662207355.db2.gz AHCGABLRIFDGNX-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001042103081 662207351 /nfs/dbraw/zinc/20/73/51/662207351.db2.gz AHCGABLRIFDGNX-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001042103081 662207345 /nfs/dbraw/zinc/20/73/45/662207345.db2.gz AHCGABLRIFDGNX-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001042103082 662207267 /nfs/dbraw/zinc/20/72/67/662207267.db2.gz AHCGABLRIFDGNX-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001042103082 662207264 /nfs/dbraw/zinc/20/72/64/662207264.db2.gz AHCGABLRIFDGNX-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001042103082 662207262 /nfs/dbraw/zinc/20/72/62/662207262.db2.gz AHCGABLRIFDGNX-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043119238 662222880 /nfs/dbraw/zinc/22/28/80/662222880.db2.gz XUBWTXKDSJPASN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043119238 662222877 /nfs/dbraw/zinc/22/28/77/662222877.db2.gz XUBWTXKDSJPASN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043119238 662222876 /nfs/dbraw/zinc/22/28/76/662222876.db2.gz XUBWTXKDSJPASN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043119239 662222760 /nfs/dbraw/zinc/22/27/60/662222760.db2.gz XUBWTXKDSJPASN-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043119239 662222757 /nfs/dbraw/zinc/22/27/57/662222757.db2.gz XUBWTXKDSJPASN-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043119239 662222751 /nfs/dbraw/zinc/22/27/51/662222751.db2.gz XUBWTXKDSJPASN-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001043127169 662222854 /nfs/dbraw/zinc/22/28/54/662222854.db2.gz FQEIYSWYBBKOEC-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001043160076 662223206 /nfs/dbraw/zinc/22/32/06/662223206.db2.gz SYUFOCDYMJVSMY-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043260644 662226325 /nfs/dbraw/zinc/22/63/25/662226325.db2.gz ANIZEJNGXUMNLA-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043260644 662226321 /nfs/dbraw/zinc/22/63/21/662226321.db2.gz ANIZEJNGXUMNLA-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043260644 662226318 /nfs/dbraw/zinc/22/63/18/662226318.db2.gz ANIZEJNGXUMNLA-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001043261029 662226490 /nfs/dbraw/zinc/22/64/90/662226490.db2.gz FXYVKTWFHNTZMC-ZIAGYGMSSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043261757 662226291 /nfs/dbraw/zinc/22/62/91/662226291.db2.gz PPCSQLRYLSPBNJ-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043261757 662226285 /nfs/dbraw/zinc/22/62/85/662226285.db2.gz PPCSQLRYLSPBNJ-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043261757 662226283 /nfs/dbraw/zinc/22/62/83/662226283.db2.gz PPCSQLRYLSPBNJ-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043261758 662226600 /nfs/dbraw/zinc/22/66/00/662226600.db2.gz PPCSQLRYLSPBNJ-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043261758 662226597 /nfs/dbraw/zinc/22/65/97/662226597.db2.gz PPCSQLRYLSPBNJ-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043261758 662226596 /nfs/dbraw/zinc/22/65/96/662226596.db2.gz PPCSQLRYLSPBNJ-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043261780 662226570 /nfs/dbraw/zinc/22/65/70/662226570.db2.gz QDJVXWAUNSWGJM-KFWWJZLASA-N 2 1 354.495 -0.398 20 0 FBADMP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043261781 662226705 /nfs/dbraw/zinc/22/67/05/662226705.db2.gz QDJVXWAUNSWGJM-RBSFLKMASA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001043262199 662226685 /nfs/dbraw/zinc/22/66/85/662226685.db2.gz AUSVOHMZHZGASD-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001043262199 662226682 /nfs/dbraw/zinc/22/66/82/662226682.db2.gz AUSVOHMZHZGASD-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001043262199 662226678 /nfs/dbraw/zinc/22/66/78/662226678.db2.gz AUSVOHMZHZGASD-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001043262203 662226723 /nfs/dbraw/zinc/22/67/23/662226723.db2.gz AUSVOHMZHZGASD-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001043262203 662226722 /nfs/dbraw/zinc/22/67/22/662226722.db2.gz AUSVOHMZHZGASD-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001043262203 662226718 /nfs/dbraw/zinc/22/67/18/662226718.db2.gz AUSVOHMZHZGASD-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262281 662226649 /nfs/dbraw/zinc/22/66/49/662226649.db2.gz BJNDRMBSENOSBW-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043262281 662226646 /nfs/dbraw/zinc/22/66/46/662226646.db2.gz BJNDRMBSENOSBW-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043262281 662226645 /nfs/dbraw/zinc/22/66/45/662226645.db2.gz BJNDRMBSENOSBW-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001043262447 662226781 /nfs/dbraw/zinc/22/67/81/662226781.db2.gz CRXUUAJAZXOREW-ZIAGYGMSSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262453 662226739 /nfs/dbraw/zinc/22/67/39/662226739.db2.gz CVBPAGVYUACQMY-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043262453 662226736 /nfs/dbraw/zinc/22/67/36/662226736.db2.gz CVBPAGVYUACQMY-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043262453 662226733 /nfs/dbraw/zinc/22/67/33/662226733.db2.gz CVBPAGVYUACQMY-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001043262456 662226611 /nfs/dbraw/zinc/22/66/11/662226611.db2.gz CVBPAGVYUACQMY-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001043262456 662226608 /nfs/dbraw/zinc/22/66/08/662226608.db2.gz CVBPAGVYUACQMY-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC001043262456 662226606 /nfs/dbraw/zinc/22/66/06/662226606.db2.gz CVBPAGVYUACQMY-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001043262464 662226631 /nfs/dbraw/zinc/22/66/31/662226631.db2.gz VVXAOQVOVNQFIG-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001043262960 662226699 /nfs/dbraw/zinc/22/66/99/662226699.db2.gz ZYSVASXTDUUUGV-ZIAGYGMSSA-N 2 1 350.463 -0.888 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001043263356 662226846 /nfs/dbraw/zinc/22/68/46/662226846.db2.gz JMVSYSJJWWGVTD-BPLDGKMQSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001043263357 662226582 /nfs/dbraw/zinc/22/65/82/662226582.db2.gz JMVSYSJJWWGVTD-YUELXQCFSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001043264309 662227038 /nfs/dbraw/zinc/22/70/38/662227038.db2.gz PRTOLFFTELENRM-UKRRQHHQSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001043264725 662227131 /nfs/dbraw/zinc/22/71/31/662227131.db2.gz UUVBDGIKWXLUJT-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001043264725 662227128 /nfs/dbraw/zinc/22/71/28/662227128.db2.gz UUVBDGIKWXLUJT-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001043264725 662227125 /nfs/dbraw/zinc/22/71/25/662227125.db2.gz UUVBDGIKWXLUJT-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001043265234 662227065 /nfs/dbraw/zinc/22/70/65/662227065.db2.gz XYOTYMQTZGCXJO-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043265234 662227064 /nfs/dbraw/zinc/22/70/64/662227064.db2.gz XYOTYMQTZGCXJO-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001043265234 662227061 /nfs/dbraw/zinc/22/70/61/662227061.db2.gz XYOTYMQTZGCXJO-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001043265238 662226942 /nfs/dbraw/zinc/22/69/42/662226942.db2.gz XYOTYMQTZGCXJO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043265238 662226941 /nfs/dbraw/zinc/22/69/41/662226941.db2.gz XYOTYMQTZGCXJO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001043265238 662226939 /nfs/dbraw/zinc/22/69/39/662226939.db2.gz XYOTYMQTZGCXJO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001043266956 662226956 /nfs/dbraw/zinc/22/69/56/662226956.db2.gz OPQROLJFSHMWRE-KBUPBQIOSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001043266956 662226954 /nfs/dbraw/zinc/22/69/54/662226954.db2.gz OPQROLJFSHMWRE-KBUPBQIOSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001043266956 662226953 /nfs/dbraw/zinc/22/69/53/662226953.db2.gz OPQROLJFSHMWRE-KBUPBQIOSA-N 2 1 352.479 -0.644 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001043270914 662227370 /nfs/dbraw/zinc/22/73/70/662227370.db2.gz AGULOKSQBACRLD-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001043271069 662227748 /nfs/dbraw/zinc/22/77/48/662227748.db2.gz BTBFLRZOBLQZLZ-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043271069 662227746 /nfs/dbraw/zinc/22/77/46/662227746.db2.gz BTBFLRZOBLQZLZ-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001043271069 662227745 /nfs/dbraw/zinc/22/77/45/662227745.db2.gz BTBFLRZOBLQZLZ-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001043271072 662227693 /nfs/dbraw/zinc/22/76/93/662227693.db2.gz BTBFLRZOBLQZLZ-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043271072 662227692 /nfs/dbraw/zinc/22/76/92/662227692.db2.gz BTBFLRZOBLQZLZ-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001043271072 662227689 /nfs/dbraw/zinc/22/76/89/662227689.db2.gz BTBFLRZOBLQZLZ-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001043271303 662227805 /nfs/dbraw/zinc/22/78/05/662227805.db2.gz FQWNJACNKXORNR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001043271303 662227803 /nfs/dbraw/zinc/22/78/03/662227803.db2.gz FQWNJACNKXORNR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001043271303 662227802 /nfs/dbraw/zinc/22/78/02/662227802.db2.gz FQWNJACNKXORNR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001043271306 662227703 /nfs/dbraw/zinc/22/77/03/662227703.db2.gz FZZHGUPDKZEKSK-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001043271613 662227654 /nfs/dbraw/zinc/22/76/54/662227654.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001043271613 662227651 /nfs/dbraw/zinc/22/76/51/662227651.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001043271613 662227649 /nfs/dbraw/zinc/22/76/49/662227649.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043271973 662227738 /nfs/dbraw/zinc/22/77/38/662227738.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001043271973 662227737 /nfs/dbraw/zinc/22/77/37/662227737.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001043271973 662227735 /nfs/dbraw/zinc/22/77/35/662227735.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043273284 662227727 /nfs/dbraw/zinc/22/77/27/662227727.db2.gz ZLECMALJTAZNOU-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043273286 662228018 /nfs/dbraw/zinc/22/80/18/662228018.db2.gz ZLECMALJTAZNOU-ZNMIVQPWSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043273685 662228131 /nfs/dbraw/zinc/22/81/31/662228131.db2.gz FLTNGMRWUDFLSY-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043273685 662228129 /nfs/dbraw/zinc/22/81/29/662228129.db2.gz FLTNGMRWUDFLSY-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043273685 662228127 /nfs/dbraw/zinc/22/81/27/662228127.db2.gz FLTNGMRWUDFLSY-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043273687 662227963 /nfs/dbraw/zinc/22/79/63/662227963.db2.gz FLTNGMRWUDFLSY-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043273687 662227962 /nfs/dbraw/zinc/22/79/62/662227962.db2.gz FLTNGMRWUDFLSY-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043273687 662227961 /nfs/dbraw/zinc/22/79/61/662227961.db2.gz FLTNGMRWUDFLSY-SOUVJXGZSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001043275873 662228136 /nfs/dbraw/zinc/22/81/36/662228136.db2.gz WHVCXYNVEGBUSX-LSDHHAIUSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001043431950 662230417 /nfs/dbraw/zinc/23/04/17/662230417.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001043431950 662230416 /nfs/dbraw/zinc/23/04/16/662230416.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001043431950 662230415 /nfs/dbraw/zinc/23/04/15/662230415.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001043453463 662230961 /nfs/dbraw/zinc/23/09/61/662230961.db2.gz BSOGSRPMZLGDEY-ZIAGYGMSSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001043465078 662230860 /nfs/dbraw/zinc/23/08/60/662230860.db2.gz SATYDYHWFNUHOF-BPLDGKMQSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001043465080 662230920 /nfs/dbraw/zinc/23/09/20/662230920.db2.gz SATYDYHWFNUHOF-YUELXQCFSA-N 2 1 352.479 -0.644 20 0 FBADMP CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043470736 662231177 /nfs/dbraw/zinc/23/11/77/662231177.db2.gz XFBALVKKDWEHKI-KFWWJZLASA-N 2 1 354.495 -0.398 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001043538041 662231774 /nfs/dbraw/zinc/23/17/74/662231774.db2.gz YCSURJRXLCXGRU-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001043538041 662231772 /nfs/dbraw/zinc/23/17/72/662231772.db2.gz YCSURJRXLCXGRU-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001043538041 662231770 /nfs/dbraw/zinc/23/17/70/662231770.db2.gz YCSURJRXLCXGRU-UKRRQHHQSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043613650 662232484 /nfs/dbraw/zinc/23/24/84/662232484.db2.gz UNSAMENXNSPQOK-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043613650 662232482 /nfs/dbraw/zinc/23/24/82/662232482.db2.gz UNSAMENXNSPQOK-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043613650 662232480 /nfs/dbraw/zinc/23/24/80/662232480.db2.gz UNSAMENXNSPQOK-ZIAGYGMSSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043680581 662235864 /nfs/dbraw/zinc/23/58/64/662235864.db2.gz HIJVBNGEQUEUDB-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001043710674 662237207 /nfs/dbraw/zinc/23/72/07/662237207.db2.gz JBBWQEOANOKUGR-UKRRQHHQSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001043773196 662239077 /nfs/dbraw/zinc/23/90/77/662239077.db2.gz MKYUDJHXAQZWJZ-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043773196 662239072 /nfs/dbraw/zinc/23/90/72/662239072.db2.gz MKYUDJHXAQZWJZ-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001043773196 662239067 /nfs/dbraw/zinc/23/90/67/662239067.db2.gz MKYUDJHXAQZWJZ-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001043773197 662238878 /nfs/dbraw/zinc/23/88/78/662238878.db2.gz MKYUDJHXAQZWJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001043773197 662238874 /nfs/dbraw/zinc/23/88/74/662238874.db2.gz MKYUDJHXAQZWJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001043773197 662238868 /nfs/dbraw/zinc/23/88/68/662238868.db2.gz MKYUDJHXAQZWJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001044011700 662249361 /nfs/dbraw/zinc/24/93/61/662249361.db2.gz UIPSVHFGBFNXLN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001044011700 662249358 /nfs/dbraw/zinc/24/93/58/662249358.db2.gz UIPSVHFGBFNXLN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001044011700 662249355 /nfs/dbraw/zinc/24/93/55/662249355.db2.gz UIPSVHFGBFNXLN-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001044011701 662249327 /nfs/dbraw/zinc/24/93/27/662249327.db2.gz UIPSVHFGBFNXLN-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001044011701 662249326 /nfs/dbraw/zinc/24/93/26/662249326.db2.gz UIPSVHFGBFNXLN-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001044011701 662249325 /nfs/dbraw/zinc/24/93/25/662249325.db2.gz UIPSVHFGBFNXLN-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001044027865 662249782 /nfs/dbraw/zinc/24/97/82/662249782.db2.gz WLLPOXYRFIASMZ-ZIAGYGMSSA-N 2 1 350.463 -0.888 20 0 FBADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001044043916 662250167 /nfs/dbraw/zinc/25/01/67/662250167.db2.gz HIJVBNGEQUEUDB-ZNMIVQPWSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001044251873 662256184 /nfs/dbraw/zinc/25/61/84/662256184.db2.gz TXSDRAZFPKAJHR-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001044291667 662257472 /nfs/dbraw/zinc/25/74/72/662257472.db2.gz XFBALVKKDWEHKI-RBSFLKMASA-N 2 1 354.495 -0.398 20 0 FBADMP CCC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001044295008 662257707 /nfs/dbraw/zinc/25/77/07/662257707.db2.gz XYDPNPKVUGRDDD-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001044295008 662257705 /nfs/dbraw/zinc/25/77/05/662257705.db2.gz XYDPNPKVUGRDDD-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001044295008 662257704 /nfs/dbraw/zinc/25/77/04/662257704.db2.gz XYDPNPKVUGRDDD-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001044302532 662258024 /nfs/dbraw/zinc/25/80/24/662258024.db2.gz LOZWRVIJIHZAFP-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001044302532 662258022 /nfs/dbraw/zinc/25/80/22/662258022.db2.gz LOZWRVIJIHZAFP-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001044302532 662258021 /nfs/dbraw/zinc/25/80/21/662258021.db2.gz LOZWRVIJIHZAFP-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001045044545 662268331 /nfs/dbraw/zinc/26/83/31/662268331.db2.gz MJQOHJHVKOPXJZ-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001045392353 662269899 /nfs/dbraw/zinc/26/98/99/662269899.db2.gz SYFMBHYTZLVZJJ-ZIAGYGMSSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001045417215 662269907 /nfs/dbraw/zinc/26/99/07/662269907.db2.gz FNLWPDCGJNMGIB-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCn3cncn3)CC2)O1 ZINC001045478884 662270228 /nfs/dbraw/zinc/27/02/28/662270228.db2.gz HRTVFKVQHVVGGO-HUUCEWRRSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCn3cncn3)CC2)O1 ZINC001045478884 662270226 /nfs/dbraw/zinc/27/02/26/662270226.db2.gz HRTVFKVQHVVGGO-HUUCEWRRSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001045478972 662270136 /nfs/dbraw/zinc/27/01/36/662270136.db2.gz LHBCSIHHVNNCDY-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001045478972 662270134 /nfs/dbraw/zinc/27/01/34/662270134.db2.gz LHBCSIHHVNNCDY-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001045478973 662270200 /nfs/dbraw/zinc/27/02/00/662270200.db2.gz LHBCSIHHVNNCDY-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001045478973 662270197 /nfs/dbraw/zinc/27/01/97/662270197.db2.gz LHBCSIHHVNNCDY-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)O1 ZINC001045672351 662271330 /nfs/dbraw/zinc/27/13/30/662271330.db2.gz BUSNLMSBJVADLQ-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)O1 ZINC001045672351 662271327 /nfs/dbraw/zinc/27/13/27/662271327.db2.gz BUSNLMSBJVADLQ-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)O1 ZINC001045672352 662271390 /nfs/dbraw/zinc/27/13/90/662271390.db2.gz BUSNLMSBJVADLQ-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)O1 ZINC001045672352 662271388 /nfs/dbraw/zinc/27/13/88/662271388.db2.gz BUSNLMSBJVADLQ-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001045672475 662271364 /nfs/dbraw/zinc/27/13/64/662271364.db2.gz RTGFVNYGIMQLNW-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001045672476 662271284 /nfs/dbraw/zinc/27/12/84/662271284.db2.gz RTGFVNYGIMQLNW-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)O1 ZINC001045948100 662275721 /nfs/dbraw/zinc/27/57/21/662275721.db2.gz VEZQESOWNWGXAP-IIDMSEBBSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)O1 ZINC001045948101 662275859 /nfs/dbraw/zinc/27/58/59/662275859.db2.gz VEZQESOWNWGXAP-RKVPGOIHSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001046032758 662277829 /nfs/dbraw/zinc/27/78/29/662277829.db2.gz MCSKMUBTMHQDCI-HRCADAONSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001046032758 662277824 /nfs/dbraw/zinc/27/78/24/662277824.db2.gz MCSKMUBTMHQDCI-HRCADAONSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001046032758 662277822 /nfs/dbraw/zinc/27/78/22/662277822.db2.gz MCSKMUBTMHQDCI-HRCADAONSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001046032758 662277817 /nfs/dbraw/zinc/27/78/17/662277817.db2.gz MCSKMUBTMHQDCI-HRCADAONSA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001046032759 662278024 /nfs/dbraw/zinc/27/80/24/662278024.db2.gz MCSKMUBTMHQDCI-OWCLPIDISA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001046032759 662278020 /nfs/dbraw/zinc/27/80/20/662278020.db2.gz MCSKMUBTMHQDCI-OWCLPIDISA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001046032759 662278016 /nfs/dbraw/zinc/27/80/16/662278016.db2.gz MCSKMUBTMHQDCI-OWCLPIDISA-N 2 1 351.495 -0.580 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001046032759 662278014 /nfs/dbraw/zinc/27/80/14/662278014.db2.gz MCSKMUBTMHQDCI-OWCLPIDISA-N 2 1 351.495 -0.580 20 0 FBADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033512 662277986 /nfs/dbraw/zinc/27/79/86/662277986.db2.gz XCECELPHDATJAD-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046033512 662277984 /nfs/dbraw/zinc/27/79/84/662277984.db2.gz XCECELPHDATJAD-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033512 662277981 /nfs/dbraw/zinc/27/79/81/662277981.db2.gz XCECELPHDATJAD-BZUAXINKSA-N 2 1 351.495 -0.709 20 0 FBADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033513 662277850 /nfs/dbraw/zinc/27/78/50/662277850.db2.gz XCECELPHDATJAD-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046033513 662277849 /nfs/dbraw/zinc/27/78/49/662277849.db2.gz XCECELPHDATJAD-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033513 662277847 /nfs/dbraw/zinc/27/78/47/662277847.db2.gz XCECELPHDATJAD-OWCLPIDISA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)O1 ZINC001046038310 662278487 /nfs/dbraw/zinc/27/84/87/662278487.db2.gz KDFAMTULIHTARX-BRWVUGGUSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)O1 ZINC001046038310 662278482 /nfs/dbraw/zinc/27/84/82/662278482.db2.gz KDFAMTULIHTARX-BRWVUGGUSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001046038310 662278479 /nfs/dbraw/zinc/27/84/79/662278479.db2.gz KDFAMTULIHTARX-BRWVUGGUSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001046038310 662278477 /nfs/dbraw/zinc/27/84/77/662278477.db2.gz KDFAMTULIHTARX-BRWVUGGUSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)O1 ZINC001046038311 662278275 /nfs/dbraw/zinc/27/82/75/662278275.db2.gz KDFAMTULIHTARX-IXDOHACOSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)O1 ZINC001046038311 662278271 /nfs/dbraw/zinc/27/82/71/662278271.db2.gz KDFAMTULIHTARX-IXDOHACOSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001046038311 662278269 /nfs/dbraw/zinc/27/82/69/662278269.db2.gz KDFAMTULIHTARX-IXDOHACOSA-N 2 1 354.495 -0.694 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001046038311 662278266 /nfs/dbraw/zinc/27/82/66/662278266.db2.gz KDFAMTULIHTARX-IXDOHACOSA-N 2 1 354.495 -0.694 20 0 FBADMP COCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039470 662278403 /nfs/dbraw/zinc/27/84/03/662278403.db2.gz ZIXNQLUPDVXFPU-BRWVUGGUSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039470 662278397 /nfs/dbraw/zinc/27/83/97/662278397.db2.gz ZIXNQLUPDVXFPU-BRWVUGGUSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039470 662278392 /nfs/dbraw/zinc/27/83/92/662278392.db2.gz ZIXNQLUPDVXFPU-BRWVUGGUSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039470 662278386 /nfs/dbraw/zinc/27/83/86/662278386.db2.gz ZIXNQLUPDVXFPU-BRWVUGGUSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039471 662278570 /nfs/dbraw/zinc/27/85/70/662278570.db2.gz ZIXNQLUPDVXFPU-IXDOHACOSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039471 662278567 /nfs/dbraw/zinc/27/85/67/662278567.db2.gz ZIXNQLUPDVXFPU-IXDOHACOSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039471 662278564 /nfs/dbraw/zinc/27/85/64/662278564.db2.gz ZIXNQLUPDVXFPU-IXDOHACOSA-N 2 1 354.495 -0.430 20 0 FBADMP COCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039471 662278562 /nfs/dbraw/zinc/27/85/62/662278562.db2.gz ZIXNQLUPDVXFPU-IXDOHACOSA-N 2 1 354.495 -0.430 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001046329177 662284763 /nfs/dbraw/zinc/28/47/63/662284763.db2.gz LVPNRCIQKFYLEZ-PBFPGSCMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001046329177 662284758 /nfs/dbraw/zinc/28/47/58/662284758.db2.gz LVPNRCIQKFYLEZ-PBFPGSCMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001046329177 662284755 /nfs/dbraw/zinc/28/47/55/662284755.db2.gz LVPNRCIQKFYLEZ-PBFPGSCMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001046329180 662284790 /nfs/dbraw/zinc/28/47/90/662284790.db2.gz LVPNRCIQKFYLEZ-XNJGSVPQSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)CC[NH+]1C ZINC001046329180 662284784 /nfs/dbraw/zinc/28/47/84/662284784.db2.gz LVPNRCIQKFYLEZ-XNJGSVPQSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001046329180 662284782 /nfs/dbraw/zinc/28/47/82/662284782.db2.gz LVPNRCIQKFYLEZ-XNJGSVPQSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046331764 662285277 /nfs/dbraw/zinc/28/52/77/662285277.db2.gz NFEFHLBHVMTTHY-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046331764 662285273 /nfs/dbraw/zinc/28/52/73/662285273.db2.gz NFEFHLBHVMTTHY-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001046331764 662285268 /nfs/dbraw/zinc/28/52/68/662285268.db2.gz NFEFHLBHVMTTHY-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001046331764 662285262 /nfs/dbraw/zinc/28/52/62/662285262.db2.gz NFEFHLBHVMTTHY-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046331766 662285356 /nfs/dbraw/zinc/28/53/56/662285356.db2.gz NFEFHLBHVMTTHY-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046331766 662285353 /nfs/dbraw/zinc/28/53/53/662285353.db2.gz NFEFHLBHVMTTHY-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001046331766 662285350 /nfs/dbraw/zinc/28/53/50/662285350.db2.gz NFEFHLBHVMTTHY-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001046331766 662285345 /nfs/dbraw/zinc/28/53/45/662285345.db2.gz NFEFHLBHVMTTHY-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001046416459 662287545 /nfs/dbraw/zinc/28/75/45/662287545.db2.gz YWJPFVHPJZAPBV-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001046416459 662287544 /nfs/dbraw/zinc/28/75/44/662287544.db2.gz YWJPFVHPJZAPBV-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001046416459 662287543 /nfs/dbraw/zinc/28/75/43/662287543.db2.gz YWJPFVHPJZAPBV-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001046416459 662287542 /nfs/dbraw/zinc/28/75/42/662287542.db2.gz YWJPFVHPJZAPBV-IIDMSEBBSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001046416460 662287318 /nfs/dbraw/zinc/28/73/18/662287318.db2.gz YWJPFVHPJZAPBV-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001046416460 662287314 /nfs/dbraw/zinc/28/73/14/662287314.db2.gz YWJPFVHPJZAPBV-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001046416460 662287312 /nfs/dbraw/zinc/28/73/12/662287312.db2.gz YWJPFVHPJZAPBV-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCCC3=O)C2)O1 ZINC001046416460 662287307 /nfs/dbraw/zinc/28/73/07/662287307.db2.gz YWJPFVHPJZAPBV-RKVPGOIHSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001046417281 662287536 /nfs/dbraw/zinc/28/75/36/662287536.db2.gz KJBWJHQNWRJEET-CKEIUWERSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001046417281 662287534 /nfs/dbraw/zinc/28/75/34/662287534.db2.gz KJBWJHQNWRJEET-CKEIUWERSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001046417281 662287530 /nfs/dbraw/zinc/28/75/30/662287530.db2.gz KJBWJHQNWRJEET-CKEIUWERSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001046417281 662287527 /nfs/dbraw/zinc/28/75/27/662287527.db2.gz KJBWJHQNWRJEET-CKEIUWERSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)O1 ZINC001046417282 662287233 /nfs/dbraw/zinc/28/72/33/662287233.db2.gz KJBWJHQNWRJEET-CPUCHLNUSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001046417282 662287226 /nfs/dbraw/zinc/28/72/26/662287226.db2.gz KJBWJHQNWRJEET-CPUCHLNUSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001046417282 662287221 /nfs/dbraw/zinc/28/72/21/662287221.db2.gz KJBWJHQNWRJEET-CPUCHLNUSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCNC3=O)C2)O1 ZINC001046417282 662287217 /nfs/dbraw/zinc/28/72/17/662287217.db2.gz KJBWJHQNWRJEET-CPUCHLNUSA-N 2 1 353.467 -0.689 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001046531955 662289803 /nfs/dbraw/zinc/28/98/03/662289803.db2.gz XWCCASGCEHOCIA-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001046531955 662289801 /nfs/dbraw/zinc/28/98/01/662289801.db2.gz XWCCASGCEHOCIA-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001046531955 662289800 /nfs/dbraw/zinc/28/98/00/662289800.db2.gz XWCCASGCEHOCIA-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046671651 662292623 /nfs/dbraw/zinc/29/26/23/662292623.db2.gz JUBLDQFEEOBEKC-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046671651 662292618 /nfs/dbraw/zinc/29/26/18/662292618.db2.gz JUBLDQFEEOBEKC-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046671651 662292614 /nfs/dbraw/zinc/29/26/14/662292614.db2.gz JUBLDQFEEOBEKC-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001046671652 662292717 /nfs/dbraw/zinc/29/27/17/662292717.db2.gz JUBLDQFEEOBEKC-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001046671652 662292714 /nfs/dbraw/zinc/29/27/14/662292714.db2.gz JUBLDQFEEOBEKC-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC001046671652 662292712 /nfs/dbraw/zinc/29/27/12/662292712.db2.gz JUBLDQFEEOBEKC-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001046684962 662293209 /nfs/dbraw/zinc/29/32/09/662293209.db2.gz NRGCSIQPNIAFGI-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001046684962 662293207 /nfs/dbraw/zinc/29/32/07/662293207.db2.gz NRGCSIQPNIAFGI-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001046684962 662293205 /nfs/dbraw/zinc/29/32/05/662293205.db2.gz NRGCSIQPNIAFGI-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001046684963 662293057 /nfs/dbraw/zinc/29/30/57/662293057.db2.gz NRGCSIQPNIAFGI-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001046684963 662293054 /nfs/dbraw/zinc/29/30/54/662293054.db2.gz NRGCSIQPNIAFGI-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001046684963 662293052 /nfs/dbraw/zinc/29/30/52/662293052.db2.gz NRGCSIQPNIAFGI-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047383479 662310491 /nfs/dbraw/zinc/31/04/91/662310491.db2.gz CVPMNZCCNVESPE-QZWWFDLISA-N 2 1 355.479 -0.771 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001047384912 662311002 /nfs/dbraw/zinc/31/10/02/662311002.db2.gz NKXJVWGVQLUPBR-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001047384912 662310999 /nfs/dbraw/zinc/31/09/99/662310999.db2.gz NKXJVWGVQLUPBR-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001047384912 662310995 /nfs/dbraw/zinc/31/09/95/662310995.db2.gz NKXJVWGVQLUPBR-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001047384912 662310992 /nfs/dbraw/zinc/31/09/92/662310992.db2.gz NKXJVWGVQLUPBR-WCVJEAGWSA-N 2 1 352.479 -0.548 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC[NH+]1C ZINC001047386487 662311028 /nfs/dbraw/zinc/31/10/28/662311028.db2.gz WHGPHMYTZFSOPZ-FZKCQIBNSA-N 2 1 350.467 -0.488 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC[NH+]1C ZINC001047386487 662311024 /nfs/dbraw/zinc/31/10/24/662311024.db2.gz WHGPHMYTZFSOPZ-FZKCQIBNSA-N 2 1 350.467 -0.488 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCn3cncn3)C[C@@H]2O)CC[N@H+]1C ZINC001047386487 662311020 /nfs/dbraw/zinc/31/10/20/662311020.db2.gz WHGPHMYTZFSOPZ-FZKCQIBNSA-N 2 1 350.467 -0.488 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCn3cncn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386487 662311015 /nfs/dbraw/zinc/31/10/15/662311015.db2.gz WHGPHMYTZFSOPZ-FZKCQIBNSA-N 2 1 350.467 -0.488 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)O1 ZINC001047428765 662312297 /nfs/dbraw/zinc/31/22/97/662312297.db2.gz NZQHSSGYRXPXNV-BSWAZPDLSA-N 2 1 355.479 -0.364 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)O1 ZINC001047428765 662312293 /nfs/dbraw/zinc/31/22/93/662312293.db2.gz NZQHSSGYRXPXNV-BSWAZPDLSA-N 2 1 355.479 -0.364 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)O1 ZINC001047428765 662312287 /nfs/dbraw/zinc/31/22/87/662312287.db2.gz NZQHSSGYRXPXNV-BSWAZPDLSA-N 2 1 355.479 -0.364 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)O1 ZINC001047428765 662312284 /nfs/dbraw/zinc/31/22/84/662312284.db2.gz NZQHSSGYRXPXNV-BSWAZPDLSA-N 2 1 355.479 -0.364 20 0 FBADMP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048537344 662323689 /nfs/dbraw/zinc/32/36/89/662323689.db2.gz PDOKFFUWUIRWMT-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048537344 662323686 /nfs/dbraw/zinc/32/36/86/662323686.db2.gz PDOKFFUWUIRWMT-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537344 662323684 /nfs/dbraw/zinc/32/36/84/662323684.db2.gz PDOKFFUWUIRWMT-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537344 662323681 /nfs/dbraw/zinc/32/36/81/662323681.db2.gz PDOKFFUWUIRWMT-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048537515 662323817 /nfs/dbraw/zinc/32/38/17/662323817.db2.gz DIULDHGHCDVLAP-YTQIUSBHSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048537515 662323813 /nfs/dbraw/zinc/32/38/13/662323813.db2.gz DIULDHGHCDVLAP-YTQIUSBHSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537515 662323809 /nfs/dbraw/zinc/32/38/09/662323809.db2.gz DIULDHGHCDVLAP-YTQIUSBHSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537515 662323805 /nfs/dbraw/zinc/32/38/05/662323805.db2.gz DIULDHGHCDVLAP-YTQIUSBHSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048537516 662323889 /nfs/dbraw/zinc/32/38/89/662323889.db2.gz DIULDHGHCDVLAP-ZTYXSZCMSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048537516 662323886 /nfs/dbraw/zinc/32/38/86/662323886.db2.gz DIULDHGHCDVLAP-ZTYXSZCMSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537516 662323884 /nfs/dbraw/zinc/32/38/84/662323884.db2.gz DIULDHGHCDVLAP-ZTYXSZCMSA-N 2 1 352.479 -0.062 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537516 662323879 /nfs/dbraw/zinc/32/38/79/662323879.db2.gz DIULDHGHCDVLAP-ZTYXSZCMSA-N 2 1 352.479 -0.062 20 0 FBADMP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048880493 662330145 /nfs/dbraw/zinc/33/01/45/662330145.db2.gz FCFVACLHOFODSE-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890120 662330502 /nfs/dbraw/zinc/33/05/02/662330502.db2.gz DVYAEMGCMHWANI-IBEHDNSVSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890120 662330500 /nfs/dbraw/zinc/33/05/00/662330500.db2.gz DVYAEMGCMHWANI-IBEHDNSVSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890120 662330496 /nfs/dbraw/zinc/33/04/96/662330496.db2.gz DVYAEMGCMHWANI-IBEHDNSVSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890120 662330492 /nfs/dbraw/zinc/33/04/92/662330492.db2.gz DVYAEMGCMHWANI-IBEHDNSVSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890128 662330779 /nfs/dbraw/zinc/33/07/79/662330779.db2.gz DVYAEMGCMHWANI-RBGFHDKUSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890128 662330777 /nfs/dbraw/zinc/33/07/77/662330777.db2.gz DVYAEMGCMHWANI-RBGFHDKUSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890128 662330775 /nfs/dbraw/zinc/33/07/75/662330775.db2.gz DVYAEMGCMHWANI-RBGFHDKUSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)O1 ZINC001048890128 662330773 /nfs/dbraw/zinc/33/07/73/662330773.db2.gz DVYAEMGCMHWANI-RBGFHDKUSA-N 2 1 350.463 -0.674 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891148 662330695 /nfs/dbraw/zinc/33/06/95/662330695.db2.gz LIPLPFYAPHOLPY-IBEHDNSVSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891148 662330692 /nfs/dbraw/zinc/33/06/92/662330692.db2.gz LIPLPFYAPHOLPY-IBEHDNSVSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891148 662330689 /nfs/dbraw/zinc/33/06/89/662330689.db2.gz LIPLPFYAPHOLPY-IBEHDNSVSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891148 662330687 /nfs/dbraw/zinc/33/06/87/662330687.db2.gz LIPLPFYAPHOLPY-IBEHDNSVSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891153 662330641 /nfs/dbraw/zinc/33/06/41/662330641.db2.gz LIPLPFYAPHOLPY-RBGFHDKUSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891153 662330639 /nfs/dbraw/zinc/33/06/39/662330639.db2.gz LIPLPFYAPHOLPY-RBGFHDKUSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891153 662330636 /nfs/dbraw/zinc/33/06/36/662330636.db2.gz LIPLPFYAPHOLPY-RBGFHDKUSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)O1 ZINC001048891153 662330634 /nfs/dbraw/zinc/33/06/34/662330634.db2.gz LIPLPFYAPHOLPY-RBGFHDKUSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)O1 ZINC001048891157 662330406 /nfs/dbraw/zinc/33/04/06/662330406.db2.gz LKCKNVFOOPHLSS-HGTKMLMNSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)O1 ZINC001048891157 662330404 /nfs/dbraw/zinc/33/04/04/662330404.db2.gz LKCKNVFOOPHLSS-HGTKMLMNSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)O1 ZINC001048891157 662330399 /nfs/dbraw/zinc/33/03/99/662330399.db2.gz LKCKNVFOOPHLSS-HGTKMLMNSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)O1 ZINC001048891157 662330397 /nfs/dbraw/zinc/33/03/97/662330397.db2.gz LKCKNVFOOPHLSS-HGTKMLMNSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891583 662330373 /nfs/dbraw/zinc/33/03/73/662330373.db2.gz QKMUKCJBVVPSLZ-DGADGQDISA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891583 662330369 /nfs/dbraw/zinc/33/03/69/662330369.db2.gz QKMUKCJBVVPSLZ-DGADGQDISA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891583 662330365 /nfs/dbraw/zinc/33/03/65/662330365.db2.gz QKMUKCJBVVPSLZ-DGADGQDISA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891583 662330361 /nfs/dbraw/zinc/33/03/61/662330361.db2.gz QKMUKCJBVVPSLZ-DGADGQDISA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891584 662330548 /nfs/dbraw/zinc/33/05/48/662330548.db2.gz QKMUKCJBVVPSLZ-DGXTUMSLSA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891584 662330544 /nfs/dbraw/zinc/33/05/44/662330544.db2.gz QKMUKCJBVVPSLZ-DGXTUMSLSA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891584 662330541 /nfs/dbraw/zinc/33/05/41/662330541.db2.gz QKMUKCJBVVPSLZ-DGXTUMSLSA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891584 662330538 /nfs/dbraw/zinc/33/05/38/662330538.db2.gz QKMUKCJBVVPSLZ-DGXTUMSLSA-N 2 1 352.479 -0.428 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)C[C@@H]3C2)O1 ZINC001048891590 662330465 /nfs/dbraw/zinc/33/04/65/662330465.db2.gz QTRBNVISPPOTIY-LVQVYYBASA-N 2 1 350.463 -0.672 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)O1 ZINC001048891590 662330460 /nfs/dbraw/zinc/33/04/60/662330460.db2.gz QTRBNVISPPOTIY-LVQVYYBASA-N 2 1 350.463 -0.672 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)O1 ZINC001048891590 662330456 /nfs/dbraw/zinc/33/04/56/662330456.db2.gz QTRBNVISPPOTIY-LVQVYYBASA-N 2 1 350.463 -0.672 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)O1 ZINC001048891590 662330452 /nfs/dbraw/zinc/33/04/52/662330452.db2.gz QTRBNVISPPOTIY-LVQVYYBASA-N 2 1 350.463 -0.672 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048919972 662331224 /nfs/dbraw/zinc/33/12/24/662331224.db2.gz DQQHXEPYSHJLAF-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048922935 662331155 /nfs/dbraw/zinc/33/11/55/662331155.db2.gz DCXQFIOGEVZNSX-FZKCQIBNSA-N 2 1 354.495 -0.302 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923186 662331251 /nfs/dbraw/zinc/33/12/51/662331251.db2.gz JMXULUVKCBUUFO-WCVJEAGWSA-N 2 1 354.495 -0.303 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048923186 662331246 /nfs/dbraw/zinc/33/12/46/662331246.db2.gz JMXULUVKCBUUFO-WCVJEAGWSA-N 2 1 354.495 -0.303 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923186 662331243 /nfs/dbraw/zinc/33/12/43/662331243.db2.gz JMXULUVKCBUUFO-WCVJEAGWSA-N 2 1 354.495 -0.303 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923194 662331127 /nfs/dbraw/zinc/33/11/27/662331127.db2.gz JVGZRUCSSPTTDU-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923404 662331196 /nfs/dbraw/zinc/33/11/96/662331196.db2.gz PNAOLETUPSJYLR-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048923404 662331194 /nfs/dbraw/zinc/33/11/94/662331194.db2.gz PNAOLETUPSJYLR-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923404 662331190 /nfs/dbraw/zinc/33/11/90/662331190.db2.gz PNAOLETUPSJYLR-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923551 662331331 /nfs/dbraw/zinc/33/13/31/662331331.db2.gz SYNVAGKYZWGQDG-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048923551 662331326 /nfs/dbraw/zinc/33/13/26/662331326.db2.gz SYNVAGKYZWGQDG-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923551 662331323 /nfs/dbraw/zinc/33/13/23/662331323.db2.gz SYNVAGKYZWGQDG-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001048977325 662339984 /nfs/dbraw/zinc/33/99/84/662339984.db2.gz RAWQMLDSIYRVOC-WCVJEAGWSA-N 2 1 354.495 -0.303 20 0 FBADMP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O)[NH+](C)C ZINC001049027231 662342026 /nfs/dbraw/zinc/34/20/26/662342026.db2.gz HKYOWNYVMZZUBI-SUJAAXHWSA-N 2 1 354.495 -0.303 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049149243 662345150 /nfs/dbraw/zinc/34/51/50/662345150.db2.gz DGXQAGZNFPCVLF-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049149243 662345145 /nfs/dbraw/zinc/34/51/45/662345145.db2.gz DGXQAGZNFPCVLF-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049149243 662345144 /nfs/dbraw/zinc/34/51/44/662345144.db2.gz DGXQAGZNFPCVLF-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001049348872 662347644 /nfs/dbraw/zinc/34/76/44/662347644.db2.gz CNIDTJBQOPTCPK-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001049435920 662349419 /nfs/dbraw/zinc/34/94/19/662349419.db2.gz WTCKYMAHNGQROI-FZKCQIBNSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049543283 662352126 /nfs/dbraw/zinc/35/21/26/662352126.db2.gz WVSYJARARUVTPZ-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049543283 662352123 /nfs/dbraw/zinc/35/21/23/662352123.db2.gz WVSYJARARUVTPZ-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049543283 662352120 /nfs/dbraw/zinc/35/21/20/662352120.db2.gz WVSYJARARUVTPZ-WCVJEAGWSA-N 2 1 354.495 -0.302 20 0 FBADMP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O)[NH+](C)C ZINC001049577833 662353423 /nfs/dbraw/zinc/35/34/23/662353423.db2.gz HKYOWNYVMZZUBI-OWYFMNJBSA-N 2 1 354.495 -0.303 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001050335809 662403704 /nfs/dbraw/zinc/40/37/04/662403704.db2.gz CKGZRHONAKAVDR-DGXTUMSLSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001050335809 662403702 /nfs/dbraw/zinc/40/37/02/662403702.db2.gz CKGZRHONAKAVDR-DGXTUMSLSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001050335816 662403790 /nfs/dbraw/zinc/40/37/90/662403790.db2.gz CKGZRHONAKAVDR-OXGONZEZSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001050335816 662403787 /nfs/dbraw/zinc/40/37/87/662403787.db2.gz CKGZRHONAKAVDR-OXGONZEZSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)CC3)O1 ZINC001050562565 662405907 /nfs/dbraw/zinc/40/59/07/662405907.db2.gz BIMLHYLDCIBRQL-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)CC3)O1 ZINC001050562565 662405904 /nfs/dbraw/zinc/40/59/04/662405904.db2.gz BIMLHYLDCIBRQL-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)CC3)O1 ZINC001050562567 662406018 /nfs/dbraw/zinc/40/60/18/662406018.db2.gz BIMLHYLDCIBRQL-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)CC3)O1 ZINC001050562567 662406017 /nfs/dbraw/zinc/40/60/17/662406017.db2.gz BIMLHYLDCIBRQL-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001050562658 662405991 /nfs/dbraw/zinc/40/59/91/662405991.db2.gz DYIGFAPPECQSEI-HUUCEWRRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001050562658 662405988 /nfs/dbraw/zinc/40/59/88/662405988.db2.gz DYIGFAPPECQSEI-HUUCEWRRSA-N 2 1 352.479 -0.282 20 0 FBADMP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564017 662405949 /nfs/dbraw/zinc/40/59/49/662405949.db2.gz OXWIUOZGSYYGNZ-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564017 662405948 /nfs/dbraw/zinc/40/59/48/662405948.db2.gz OXWIUOZGSYYGNZ-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564018 662405978 /nfs/dbraw/zinc/40/59/78/662405978.db2.gz OXWIUOZGSYYGNZ-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564018 662405976 /nfs/dbraw/zinc/40/59/76/662405976.db2.gz OXWIUOZGSYYGNZ-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564617 662406010 /nfs/dbraw/zinc/40/60/10/662406010.db2.gz SKFOAHOQELTHEN-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564617 662406008 /nfs/dbraw/zinc/40/60/08/662406008.db2.gz SKFOAHOQELTHEN-QLFBSQMISA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564618 662405879 /nfs/dbraw/zinc/40/58/79/662405879.db2.gz SKFOAHOQELTHEN-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564618 662405877 /nfs/dbraw/zinc/40/58/77/662405877.db2.gz SKFOAHOQELTHEN-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001051622961 662416196 /nfs/dbraw/zinc/41/61/96/662416196.db2.gz APAANIGQILLVAP-HRCADAONSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001051622961 662416194 /nfs/dbraw/zinc/41/61/94/662416194.db2.gz APAANIGQILLVAP-HRCADAONSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001051622962 662416117 /nfs/dbraw/zinc/41/61/17/662416117.db2.gz APAANIGQILLVAP-OWCLPIDISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001051622962 662416115 /nfs/dbraw/zinc/41/61/15/662416115.db2.gz APAANIGQILLVAP-OWCLPIDISA-N 2 1 350.467 -0.138 20 0 FBADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623431 662416245 /nfs/dbraw/zinc/41/62/45/662416245.db2.gz GQGFUIXPFINBAZ-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623431 662416243 /nfs/dbraw/zinc/41/62/43/662416243.db2.gz GQGFUIXPFINBAZ-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623435 662416107 /nfs/dbraw/zinc/41/61/07/662416107.db2.gz GQGFUIXPFINBAZ-VNQPRFMTSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623435 662416106 /nfs/dbraw/zinc/41/61/06/662416106.db2.gz GQGFUIXPFINBAZ-VNQPRFMTSA-N 2 1 350.467 -0.045 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001051623523 662416065 /nfs/dbraw/zinc/41/60/65/662416065.db2.gz HGTRHYDUDHIZLP-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001051623523 662416063 /nfs/dbraw/zinc/41/60/63/662416063.db2.gz HGTRHYDUDHIZLP-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001051623526 662416138 /nfs/dbraw/zinc/41/61/38/662416138.db2.gz HGTRHYDUDHIZLP-SOUVJXGZSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001051623526 662416137 /nfs/dbraw/zinc/41/61/37/662416137.db2.gz HGTRHYDUDHIZLP-SOUVJXGZSA-N 2 1 350.467 -0.138 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624026 662415991 /nfs/dbraw/zinc/41/59/91/662415991.db2.gz MJRRRSDBRXGTHI-QLFBSQMISA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624026 662415988 /nfs/dbraw/zinc/41/59/88/662415988.db2.gz MJRRRSDBRXGTHI-QLFBSQMISA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624027 662416100 /nfs/dbraw/zinc/41/61/00/662416100.db2.gz MJRRRSDBRXGTHI-RBSFLKMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624027 662416099 /nfs/dbraw/zinc/41/60/99/662416099.db2.gz MJRRRSDBRXGTHI-RBSFLKMASA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624219 662416082 /nfs/dbraw/zinc/41/60/82/662416082.db2.gz NPYAOGQTXPETCQ-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624219 662416080 /nfs/dbraw/zinc/41/60/80/662416080.db2.gz NPYAOGQTXPETCQ-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624220 662416170 /nfs/dbraw/zinc/41/61/70/662416170.db2.gz NPYAOGQTXPETCQ-VNQPRFMTSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624220 662416166 /nfs/dbraw/zinc/41/61/66/662416166.db2.gz NPYAOGQTXPETCQ-VNQPRFMTSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624247 662416121 /nfs/dbraw/zinc/41/61/21/662416121.db2.gz OGCJMJZCVNISLS-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624248 662416044 /nfs/dbraw/zinc/41/60/44/662416044.db2.gz OGCJMJZCVNISLS-VNQPRFMTSA-N 2 1 350.467 -0.045 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001051624735 662416130 /nfs/dbraw/zinc/41/61/30/662416130.db2.gz TVFYJXMZEAZJLP-HRCADAONSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001051624735 662416129 /nfs/dbraw/zinc/41/61/29/662416129.db2.gz TVFYJXMZEAZJLP-HRCADAONSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001051624736 662416208 /nfs/dbraw/zinc/41/62/08/662416208.db2.gz TVFYJXMZEAZJLP-OWCLPIDISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001051624736 662416207 /nfs/dbraw/zinc/41/62/07/662416207.db2.gz TVFYJXMZEAZJLP-OWCLPIDISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001051624944 662416252 /nfs/dbraw/zinc/41/62/52/662416252.db2.gz WIBGQVBRAALNBP-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001051624944 662416250 /nfs/dbraw/zinc/41/62/50/662416250.db2.gz WIBGQVBRAALNBP-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001051624945 662416014 /nfs/dbraw/zinc/41/60/14/662416014.db2.gz WIBGQVBRAALNBP-SOUVJXGZSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001051624945 662416011 /nfs/dbraw/zinc/41/60/11/662416011.db2.gz WIBGQVBRAALNBP-SOUVJXGZSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001051624971 662416182 /nfs/dbraw/zinc/41/61/82/662416182.db2.gz WTPOMNNRZAQRSD-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001051624971 662416181 /nfs/dbraw/zinc/41/61/81/662416181.db2.gz WTPOMNNRZAQRSD-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001051624972 662416590 /nfs/dbraw/zinc/41/65/90/662416590.db2.gz WTPOMNNRZAQRSD-MELADBBJSA-N 2 1 351.455 -0.743 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001051624972 662416588 /nfs/dbraw/zinc/41/65/88/662416588.db2.gz WTPOMNNRZAQRSD-MELADBBJSA-N 2 1 351.455 -0.743 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001051625008 662416446 /nfs/dbraw/zinc/41/64/46/662416446.db2.gz WXOCDDSQBIETSI-HRCADAONSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001051625012 662416548 /nfs/dbraw/zinc/41/65/48/662416548.db2.gz WXOCDDSQBIETSI-OWCLPIDISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001051679635 662416787 /nfs/dbraw/zinc/41/67/87/662416787.db2.gz HWRJQWUFVMAPED-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001051679635 662416785 /nfs/dbraw/zinc/41/67/85/662416785.db2.gz HWRJQWUFVMAPED-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001051679636 662416894 /nfs/dbraw/zinc/41/68/94/662416894.db2.gz HWRJQWUFVMAPED-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001051679636 662416892 /nfs/dbraw/zinc/41/68/92/662416892.db2.gz HWRJQWUFVMAPED-HYVNUMGLSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccnn3C)C2)O1 ZINC001051680293 662416806 /nfs/dbraw/zinc/41/68/06/662416806.db2.gz LOJNSMAKROLOED-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccnn3C)C2)O1 ZINC001051680293 662416804 /nfs/dbraw/zinc/41/68/04/662416804.db2.gz LOJNSMAKROLOED-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccnn3C)C2)O1 ZINC001051680294 662416914 /nfs/dbraw/zinc/41/69/14/662416914.db2.gz LOJNSMAKROLOED-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccnn3C)C2)O1 ZINC001051680294 662416912 /nfs/dbraw/zinc/41/69/12/662416912.db2.gz LOJNSMAKROLOED-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncn3C)C2)O1 ZINC001051680688 662416874 /nfs/dbraw/zinc/41/68/74/662416874.db2.gz PXRSRHHSAOJQJJ-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncn3C)C2)O1 ZINC001051680688 662416872 /nfs/dbraw/zinc/41/68/72/662416872.db2.gz PXRSRHHSAOJQJJ-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncn3C)C2)O1 ZINC001051680689 662417027 /nfs/dbraw/zinc/41/70/27/662417027.db2.gz PXRSRHHSAOJQJJ-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncn3C)C2)O1 ZINC001051680689 662417026 /nfs/dbraw/zinc/41/70/26/662417026.db2.gz PXRSRHHSAOJQJJ-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)O1 ZINC001051681267 662416706 /nfs/dbraw/zinc/41/67/06/662416706.db2.gz VIFJHGTYIAZTMV-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)O1 ZINC001051681267 662416703 /nfs/dbraw/zinc/41/67/03/662416703.db2.gz VIFJHGTYIAZTMV-FVQBIDKESA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)O1 ZINC001051681268 662417002 /nfs/dbraw/zinc/41/70/02/662417002.db2.gz VIFJHGTYIAZTMV-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)O1 ZINC001051681268 662417001 /nfs/dbraw/zinc/41/70/01/662417001.db2.gz VIFJHGTYIAZTMV-VNQPRFMTSA-N 2 1 351.451 -0.544 20 0 FBADMP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681514 662417157 /nfs/dbraw/zinc/41/71/57/662417157.db2.gz XQICHGAFCXPIKF-KWCYVHTRSA-N 2 1 369.491 -0.117 20 0 FBADMP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681514 662417155 /nfs/dbraw/zinc/41/71/55/662417155.db2.gz XQICHGAFCXPIKF-KWCYVHTRSA-N 2 1 369.491 -0.117 20 0 FBADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681515 662417245 /nfs/dbraw/zinc/41/72/45/662417245.db2.gz XQICHGAFCXPIKF-MRVWCRGKSA-N 2 1 369.491 -0.117 20 0 FBADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681515 662417242 /nfs/dbraw/zinc/41/72/42/662417242.db2.gz XQICHGAFCXPIKF-MRVWCRGKSA-N 2 1 369.491 -0.117 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)O1 ZINC001052487570 662425202 /nfs/dbraw/zinc/42/52/02/662425202.db2.gz AENWGSFRAOFLDS-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)O1 ZINC001052487570 662425201 /nfs/dbraw/zinc/42/52/01/662425201.db2.gz AENWGSFRAOFLDS-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001052487570 662425200 /nfs/dbraw/zinc/42/52/00/662425200.db2.gz AENWGSFRAOFLDS-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001052487570 662425199 /nfs/dbraw/zinc/42/51/99/662425199.db2.gz AENWGSFRAOFLDS-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)O1 ZINC001052487576 662425036 /nfs/dbraw/zinc/42/50/36/662425036.db2.gz AENWGSFRAOFLDS-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)O1 ZINC001052487576 662425033 /nfs/dbraw/zinc/42/50/33/662425033.db2.gz AENWGSFRAOFLDS-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001052487576 662425030 /nfs/dbraw/zinc/42/50/30/662425030.db2.gz AENWGSFRAOFLDS-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001052487576 662425029 /nfs/dbraw/zinc/42/50/29/662425029.db2.gz AENWGSFRAOFLDS-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)O1 ZINC001052489238 662425218 /nfs/dbraw/zinc/42/52/18/662425218.db2.gz NDPHLDCZELINIS-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)O1 ZINC001052489238 662425217 /nfs/dbraw/zinc/42/52/17/662425217.db2.gz NDPHLDCZELINIS-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001052489238 662425215 /nfs/dbraw/zinc/42/52/15/662425215.db2.gz NDPHLDCZELINIS-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001052489238 662425213 /nfs/dbraw/zinc/42/52/13/662425213.db2.gz NDPHLDCZELINIS-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)O1 ZINC001052489241 662425240 /nfs/dbraw/zinc/42/52/40/662425240.db2.gz NDPHLDCZELINIS-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)O1 ZINC001052489241 662425239 /nfs/dbraw/zinc/42/52/39/662425239.db2.gz NDPHLDCZELINIS-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001052489241 662425238 /nfs/dbraw/zinc/42/52/38/662425238.db2.gz NDPHLDCZELINIS-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001052489241 662425237 /nfs/dbraw/zinc/42/52/37/662425237.db2.gz NDPHLDCZELINIS-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)O1 ZINC001052489978 662425156 /nfs/dbraw/zinc/42/51/56/662425156.db2.gz SCNFJMOLSOZNDP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)CC2)O1 ZINC001052489978 662425155 /nfs/dbraw/zinc/42/51/55/662425155.db2.gz SCNFJMOLSOZNDP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC001052489978 662425153 /nfs/dbraw/zinc/42/51/53/662425153.db2.gz SCNFJMOLSOZNDP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC001052489978 662425152 /nfs/dbraw/zinc/42/51/52/662425152.db2.gz SCNFJMOLSOZNDP-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)O1 ZINC001052489980 662425181 /nfs/dbraw/zinc/42/51/81/662425181.db2.gz SCNFJMOLSOZNDP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCn3cncn3)CC2)O1 ZINC001052489980 662425179 /nfs/dbraw/zinc/42/51/79/662425179.db2.gz SCNFJMOLSOZNDP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC001052489980 662425178 /nfs/dbraw/zinc/42/51/78/662425178.db2.gz SCNFJMOLSOZNDP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC001052489980 662425177 /nfs/dbraw/zinc/42/51/77/662425177.db2.gz SCNFJMOLSOZNDP-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)O1 ZINC001055385216 662376065 /nfs/dbraw/zinc/37/60/65/662376065.db2.gz WSIGUIWLKBLDKA-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)O1 ZINC001055385216 662376061 /nfs/dbraw/zinc/37/60/61/662376061.db2.gz WSIGUIWLKBLDKA-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001055968468 662382593 /nfs/dbraw/zinc/38/25/93/662382593.db2.gz XZWBERJGKJKPEG-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001055968469 662382716 /nfs/dbraw/zinc/38/27/16/662382716.db2.gz XZWBERJGKJKPEG-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001056104680 662384746 /nfs/dbraw/zinc/38/47/46/662384746.db2.gz FVNQVHYXHKNOLR-IIDMSEBBSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001056104683 662384761 /nfs/dbraw/zinc/38/47/61/662384761.db2.gz FVNQVHYXHKNOLR-RKVPGOIHSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057214234 662401644 /nfs/dbraw/zinc/40/16/44/662401644.db2.gz WIRYGYJRGSYTQI-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057214234 662401643 /nfs/dbraw/zinc/40/16/43/662401643.db2.gz WIRYGYJRGSYTQI-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057214234 662401642 /nfs/dbraw/zinc/40/16/42/662401642.db2.gz WIRYGYJRGSYTQI-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057214235 662401581 /nfs/dbraw/zinc/40/15/81/662401581.db2.gz WIRYGYJRGSYTQI-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057214235 662401575 /nfs/dbraw/zinc/40/15/75/662401575.db2.gz WIRYGYJRGSYTQI-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057214235 662401569 /nfs/dbraw/zinc/40/15/69/662401569.db2.gz WIRYGYJRGSYTQI-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057635482 662410368 /nfs/dbraw/zinc/41/03/68/662410368.db2.gz DJHUVFXLWYUEPT-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057635482 662410367 /nfs/dbraw/zinc/41/03/67/662410367.db2.gz DJHUVFXLWYUEPT-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057635482 662410365 /nfs/dbraw/zinc/41/03/65/662410365.db2.gz DJHUVFXLWYUEPT-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057635483 662410337 /nfs/dbraw/zinc/41/03/37/662410337.db2.gz DJHUVFXLWYUEPT-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057635483 662410336 /nfs/dbraw/zinc/41/03/36/662410336.db2.gz DJHUVFXLWYUEPT-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057635483 662410333 /nfs/dbraw/zinc/41/03/33/662410333.db2.gz DJHUVFXLWYUEPT-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001057641755 662410299 /nfs/dbraw/zinc/41/02/99/662410299.db2.gz DDNJYGZIFZHKOW-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057643892 662410293 /nfs/dbraw/zinc/41/02/93/662410293.db2.gz PBEMCUAOMQBACC-UKRRQHHQSA-N 2 1 351.451 -0.531 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057643892 662410289 /nfs/dbraw/zinc/41/02/89/662410289.db2.gz PBEMCUAOMQBACC-UKRRQHHQSA-N 2 1 351.451 -0.531 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001057660696 662410774 /nfs/dbraw/zinc/41/07/74/662410774.db2.gz BZAIQVLGDDWMDX-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001057739019 662422638 /nfs/dbraw/zinc/42/26/38/662422638.db2.gz JFIKFZGYPJSAGT-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001057739027 662422426 /nfs/dbraw/zinc/42/24/26/662422426.db2.gz JNMIQKVSWCQSAE-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001057739067 662422511 /nfs/dbraw/zinc/42/25/11/662422511.db2.gz KKHFAJLMAWRWEG-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001057739067 662422507 /nfs/dbraw/zinc/42/25/07/662422507.db2.gz KKHFAJLMAWRWEG-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001057739067 662422503 /nfs/dbraw/zinc/42/25/03/662422503.db2.gz KKHFAJLMAWRWEG-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1C ZINC001057739195 662422400 /nfs/dbraw/zinc/42/24/00/662422400.db2.gz PTMQPYMHVMBBNF-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC001057739195 662422397 /nfs/dbraw/zinc/42/23/97/662422397.db2.gz PTMQPYMHVMBBNF-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001057739195 662422394 /nfs/dbraw/zinc/42/23/94/662422394.db2.gz PTMQPYMHVMBBNF-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739196 662422361 /nfs/dbraw/zinc/42/23/61/662422361.db2.gz PTMQPYMHVMBBNF-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057739196 662422359 /nfs/dbraw/zinc/42/23/59/662422359.db2.gz PTMQPYMHVMBBNF-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739196 662422356 /nfs/dbraw/zinc/42/23/56/662422356.db2.gz PTMQPYMHVMBBNF-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001057739209 662422594 /nfs/dbraw/zinc/42/25/94/662422594.db2.gz QHJRVRBHHZOCKR-BZUAXINKSA-N 2 1 356.511 -0.150 20 0 FBADMP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001057739210 662422761 /nfs/dbraw/zinc/42/27/61/662422761.db2.gz QHJRVRBHHZOCKR-OAGGEKHMSA-N 2 1 356.511 -0.150 20 0 FBADMP CCC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739217 662422865 /nfs/dbraw/zinc/42/28/65/662422865.db2.gz QNHAXVBWTBGNRR-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057739217 662422860 /nfs/dbraw/zinc/42/28/60/662422860.db2.gz QNHAXVBWTBGNRR-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739217 662422854 /nfs/dbraw/zinc/42/28/54/662422854.db2.gz QNHAXVBWTBGNRR-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001057739313 662423003 /nfs/dbraw/zinc/42/30/03/662423003.db2.gz UWXJJNSJACEOPU-HUUCEWRRSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001057739349 662423102 /nfs/dbraw/zinc/42/31/02/662423102.db2.gz WJKOYXZKAKWCFT-GDBMZVCRSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001057739824 662423024 /nfs/dbraw/zinc/42/30/24/662423024.db2.gz REEUZCYWDLYABG-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001057739824 662423022 /nfs/dbraw/zinc/42/30/22/662423022.db2.gz REEUZCYWDLYABG-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001057739824 662423020 /nfs/dbraw/zinc/42/30/20/662423020.db2.gz REEUZCYWDLYABG-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001057739825 662422908 /nfs/dbraw/zinc/42/29/08/662422908.db2.gz REEUZCYWDLYABG-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001057739825 662422903 /nfs/dbraw/zinc/42/29/03/662422903.db2.gz REEUZCYWDLYABG-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001057739825 662422900 /nfs/dbraw/zinc/42/29/00/662422900.db2.gz REEUZCYWDLYABG-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057740770 662423416 /nfs/dbraw/zinc/42/34/16/662423416.db2.gz CWAYIVWKKRCDDQ-UKRRQHHQSA-N 2 1 351.451 -0.531 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057740770 662423412 /nfs/dbraw/zinc/42/34/12/662423412.db2.gz CWAYIVWKKRCDDQ-UKRRQHHQSA-N 2 1 351.451 -0.531 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057741191 662423904 /nfs/dbraw/zinc/42/39/04/662423904.db2.gz MSKMISDNOZCSPV-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057741191 662423900 /nfs/dbraw/zinc/42/39/00/662423900.db2.gz MSKMISDNOZCSPV-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057741191 662423898 /nfs/dbraw/zinc/42/38/98/662423898.db2.gz MSKMISDNOZCSPV-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057741192 662424001 /nfs/dbraw/zinc/42/40/01/662424001.db2.gz MSKMISDNOZCSPV-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057741192 662424000 /nfs/dbraw/zinc/42/40/00/662424000.db2.gz MSKMISDNOZCSPV-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057741192 662423998 /nfs/dbraw/zinc/42/39/98/662423998.db2.gz MSKMISDNOZCSPV-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057741213 662423758 /nfs/dbraw/zinc/42/37/58/662423758.db2.gz NWFSHRPUOVTJRG-HUUCEWRRSA-N 2 1 351.451 -0.531 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057741213 662423753 /nfs/dbraw/zinc/42/37/53/662423753.db2.gz NWFSHRPUOVTJRG-HUUCEWRRSA-N 2 1 351.451 -0.531 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001057741377 662423659 /nfs/dbraw/zinc/42/36/59/662423659.db2.gz RBLUYFDKMBHLMW-HUUCEWRRSA-N 2 1 352.479 -0.641 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC001057741521 662423886 /nfs/dbraw/zinc/42/38/86/662423886.db2.gz SNYNOPYSALHTSR-KLHDSHLOSA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC001057741521 662423883 /nfs/dbraw/zinc/42/38/83/662423883.db2.gz SNYNOPYSALHTSR-KLHDSHLOSA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC001057741521 662423881 /nfs/dbraw/zinc/42/38/81/662423881.db2.gz SNYNOPYSALHTSR-KLHDSHLOSA-N 2 1 354.495 -0.396 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057741542 662423921 /nfs/dbraw/zinc/42/39/21/662423921.db2.gz SYSUPWWZTGMQQV-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057741542 662423919 /nfs/dbraw/zinc/42/39/19/662423919.db2.gz SYSUPWWZTGMQQV-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741542 662423916 /nfs/dbraw/zinc/42/39/16/662423916.db2.gz SYSUPWWZTGMQQV-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001057741591 662423809 /nfs/dbraw/zinc/42/38/09/662423809.db2.gz VJEATMFGMVORQQ-BMFZPTHFSA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001057741592 662423697 /nfs/dbraw/zinc/42/36/97/662423697.db2.gz VJEATMFGMVORQQ-FVQBIDKESA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1C ZINC001057741774 662423944 /nfs/dbraw/zinc/42/39/44/662423944.db2.gz YYCZCQHIQYZYBJ-ARFHVFGLSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC001057741774 662423940 /nfs/dbraw/zinc/42/39/40/662423940.db2.gz YYCZCQHIQYZYBJ-ARFHVFGLSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001057741774 662423938 /nfs/dbraw/zinc/42/39/38/662423938.db2.gz YYCZCQHIQYZYBJ-ARFHVFGLSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001057741775 662423669 /nfs/dbraw/zinc/42/36/69/662423669.db2.gz YYCZCQHIQYZYBJ-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001057741775 662423668 /nfs/dbraw/zinc/42/36/68/662423668.db2.gz YYCZCQHIQYZYBJ-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001057741775 662423663 /nfs/dbraw/zinc/42/36/63/662423663.db2.gz YYCZCQHIQYZYBJ-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057743711 662423724 /nfs/dbraw/zinc/42/37/24/662423724.db2.gz LOQJTQHDJFTUTQ-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057743711 662423721 /nfs/dbraw/zinc/42/37/21/662423721.db2.gz LOQJTQHDJFTUTQ-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057743711 662423717 /nfs/dbraw/zinc/42/37/17/662423717.db2.gz LOQJTQHDJFTUTQ-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057743712 662423849 /nfs/dbraw/zinc/42/38/49/662423849.db2.gz LOQJTQHDJFTUTQ-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057743712 662423847 /nfs/dbraw/zinc/42/38/47/662423847.db2.gz LOQJTQHDJFTUTQ-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057743712 662423845 /nfs/dbraw/zinc/42/38/45/662423845.db2.gz LOQJTQHDJFTUTQ-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001057745802 662424297 /nfs/dbraw/zinc/42/42/97/662424297.db2.gz BGDFRWHBPSNSCC-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001057745819 662424231 /nfs/dbraw/zinc/42/42/31/662424231.db2.gz BVVOXVDUFAWWGE-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001057745858 662424136 /nfs/dbraw/zinc/42/41/36/662424136.db2.gz DKLWWNFWULDHAW-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057745892 662424346 /nfs/dbraw/zinc/42/43/46/662424346.db2.gz GIWJUQHEXCFHNI-ARFHVFGLSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057745893 662424247 /nfs/dbraw/zinc/42/42/47/662424247.db2.gz GIWJUQHEXCFHNI-XHSDSOJGSA-N 2 1 356.511 -0.006 20 0 FBADMP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057745985 662424328 /nfs/dbraw/zinc/42/43/28/662424328.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001057745985 662424326 /nfs/dbraw/zinc/42/43/26/662424326.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001057745985 662424325 /nfs/dbraw/zinc/42/43/25/662424325.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001057746253 662424322 /nfs/dbraw/zinc/42/43/22/662424322.db2.gz QMSSHSILRMKKFN-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001057746253 662424321 /nfs/dbraw/zinc/42/43/21/662424321.db2.gz QMSSHSILRMKKFN-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001057746253 662424320 /nfs/dbraw/zinc/42/43/20/662424320.db2.gz QMSSHSILRMKKFN-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057746364 662424219 /nfs/dbraw/zinc/42/42/19/662424219.db2.gz UDAMDSUASYFTTC-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057746364 662424216 /nfs/dbraw/zinc/42/42/16/662424216.db2.gz UDAMDSUASYFTTC-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057746364 662424213 /nfs/dbraw/zinc/42/42/13/662424213.db2.gz UDAMDSUASYFTTC-HRCADAONSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001057746366 662424311 /nfs/dbraw/zinc/42/43/11/662424311.db2.gz UDAMDSUASYFTTC-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001057746366 662424309 /nfs/dbraw/zinc/42/43/09/662424309.db2.gz UDAMDSUASYFTTC-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001057746366 662424306 /nfs/dbraw/zinc/42/43/06/662424306.db2.gz UDAMDSUASYFTTC-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001057747419 662424614 /nfs/dbraw/zinc/42/46/14/662424614.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001057747419 662424612 /nfs/dbraw/zinc/42/46/12/662424612.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001057747419 662424609 /nfs/dbraw/zinc/42/46/09/662424609.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001057864236 662428265 /nfs/dbraw/zinc/42/82/65/662428265.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001057864236 662428261 /nfs/dbraw/zinc/42/82/61/662428261.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001057864236 662428259 /nfs/dbraw/zinc/42/82/59/662428259.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001057875325 662428363 /nfs/dbraw/zinc/42/83/63/662428363.db2.gz QXKQUZLSTXPVKT-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001057876182 662428594 /nfs/dbraw/zinc/42/85/94/662428594.db2.gz DJVCQVHBHPLWPV-BMFZPTHFSA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001057876183 662428492 /nfs/dbraw/zinc/42/84/92/662428492.db2.gz DJVCQVHBHPLWPV-FVQBIDKESA-N 2 1 354.495 -0.396 20 0 FBADMP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001057883284 662428832 /nfs/dbraw/zinc/42/88/32/662428832.db2.gz DUVJKRAUHUEOFQ-OAGGEKHMSA-N 2 1 356.511 -0.150 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001057903446 662429388 /nfs/dbraw/zinc/42/93/88/662429388.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001057903446 662429384 /nfs/dbraw/zinc/42/93/84/662429384.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001057903446 662429380 /nfs/dbraw/zinc/42/93/80/662429380.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057942686 662430045 /nfs/dbraw/zinc/43/00/45/662430045.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057942686 662430041 /nfs/dbraw/zinc/43/00/41/662430041.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057942686 662430039 /nfs/dbraw/zinc/43/00/39/662430039.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057975432 662434699 /nfs/dbraw/zinc/43/46/99/662434699.db2.gz RWCBRRVXFCVWQO-ARFHVFGLSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001057994482 662434843 /nfs/dbraw/zinc/43/48/43/662434843.db2.gz ZIUWBLWFRATNSL-GDBMZVCRSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001058039260 662435807 /nfs/dbraw/zinc/43/58/07/662435807.db2.gz USZFHLJYSHTJTK-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001058039260 662435804 /nfs/dbraw/zinc/43/58/04/662435804.db2.gz USZFHLJYSHTJTK-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001058039260 662435800 /nfs/dbraw/zinc/43/58/00/662435800.db2.gz USZFHLJYSHTJTK-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001058039261 662435725 /nfs/dbraw/zinc/43/57/25/662435725.db2.gz USZFHLJYSHTJTK-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001058039261 662435723 /nfs/dbraw/zinc/43/57/23/662435723.db2.gz USZFHLJYSHTJTK-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001058039261 662435720 /nfs/dbraw/zinc/43/57/20/662435720.db2.gz USZFHLJYSHTJTK-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058111068 662437132 /nfs/dbraw/zinc/43/71/32/662437132.db2.gz JBGHOUGLXXSOMM-HUUCEWRRSA-N 2 1 351.451 -0.531 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058111068 662437131 /nfs/dbraw/zinc/43/71/31/662437131.db2.gz JBGHOUGLXXSOMM-HUUCEWRRSA-N 2 1 351.451 -0.531 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001058159675 662437494 /nfs/dbraw/zinc/43/74/94/662437494.db2.gz SOBILMGHURADEB-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001058159675 662437492 /nfs/dbraw/zinc/43/74/92/662437492.db2.gz SOBILMGHURADEB-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001058159675 662437491 /nfs/dbraw/zinc/43/74/91/662437491.db2.gz SOBILMGHURADEB-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001058159676 662437522 /nfs/dbraw/zinc/43/75/22/662437522.db2.gz SOBILMGHURADEB-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001058159676 662437521 /nfs/dbraw/zinc/43/75/21/662437521.db2.gz SOBILMGHURADEB-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001058159676 662437520 /nfs/dbraw/zinc/43/75/20/662437520.db2.gz SOBILMGHURADEB-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001058163698 662437547 /nfs/dbraw/zinc/43/75/47/662437547.db2.gz UQEAYJKLPZGGRD-HUUCEWRRSA-N 2 1 352.479 -0.641 20 0 FBADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC001058169974 662437867 /nfs/dbraw/zinc/43/78/67/662437867.db2.gz RWCBRRVXFCVWQO-XHSDSOJGSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001058237244 662439511 /nfs/dbraw/zinc/43/95/11/662439511.db2.gz VWSZCMXUGXFVTE-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001058250697 660457139 /nfs/dbraw/zinc/45/71/39/660457139.db2.gz DUVJKRAUHUEOFQ-BZUAXINKSA-N 2 1 356.511 -0.150 20 0 FBADMP CCC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058252755 662439888 /nfs/dbraw/zinc/43/98/88/662439888.db2.gz WAOUWVTXVXQRAT-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058252755 662439886 /nfs/dbraw/zinc/43/98/86/662439886.db2.gz WAOUWVTXVXQRAT-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058252755 662439883 /nfs/dbraw/zinc/43/98/83/662439883.db2.gz WAOUWVTXVXQRAT-HZPDHXFCSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001058255181 662439925 /nfs/dbraw/zinc/43/99/25/662439925.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001058255181 662439922 /nfs/dbraw/zinc/43/99/22/662439922.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001058255181 662439919 /nfs/dbraw/zinc/43/99/19/662439919.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001058601486 679520694 /nfs/dbraw/zinc/52/06/94/679520694.db2.gz DUCIGRISWURYSY-HUUCEWRRSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001058607740 679521439 /nfs/dbraw/zinc/52/14/39/679521439.db2.gz MHTCBQFGNJHSCF-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001058817860 679531689 /nfs/dbraw/zinc/53/16/89/679531689.db2.gz VCRBGIFPAOAAHC-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001058817860 679531686 /nfs/dbraw/zinc/53/16/86/679531686.db2.gz VCRBGIFPAOAAHC-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001058817860 679531684 /nfs/dbraw/zinc/53/16/84/679531684.db2.gz VCRBGIFPAOAAHC-JKSUJKDBSA-N 2 1 356.511 -0.004 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1C ZINC001058845033 679533846 /nfs/dbraw/zinc/53/38/46/679533846.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC001058845033 679533844 /nfs/dbraw/zinc/53/38/44/679533844.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001058845033 679533842 /nfs/dbraw/zinc/53/38/42/679533842.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058845034 679533688 /nfs/dbraw/zinc/53/36/88/679533688.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058845034 679533685 /nfs/dbraw/zinc/53/36/85/679533685.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058845034 679533683 /nfs/dbraw/zinc/53/36/83/679533683.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1C ZINC001058847253 679533941 /nfs/dbraw/zinc/53/39/41/679533941.db2.gz PSBXOMWEDCWURO-ARFHVFGLSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC001058847253 679533937 /nfs/dbraw/zinc/53/39/37/679533937.db2.gz PSBXOMWEDCWURO-ARFHVFGLSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001058847254 679533752 /nfs/dbraw/zinc/53/37/52/679533752.db2.gz PSBXOMWEDCWURO-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001058847254 679533749 /nfs/dbraw/zinc/53/37/49/679533749.db2.gz PSBXOMWEDCWURO-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001061599349 837679721 /nfs/dbraw/zinc/67/97/21/837679721.db2.gz AMSGWHBPCOGAPN-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001061599350 837679758 /nfs/dbraw/zinc/67/97/58/837679758.db2.gz AMSGWHBPCOGAPN-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)O1 ZINC001061678296 837707958 /nfs/dbraw/zinc/70/79/58/837707958.db2.gz RPMHGSSRMIVADW-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)O1 ZINC001061678296 837707944 /nfs/dbraw/zinc/70/79/44/837707944.db2.gz RPMHGSSRMIVADW-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)O1 ZINC001061678308 837708442 /nfs/dbraw/zinc/70/84/42/837708442.db2.gz RPMHGSSRMIVADW-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)O1 ZINC001061678308 837708432 /nfs/dbraw/zinc/70/84/32/837708432.db2.gz RPMHGSSRMIVADW-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001061861423 837765392 /nfs/dbraw/zinc/76/53/92/837765392.db2.gz HDFZAHMDTGQVGQ-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001061861423 837765386 /nfs/dbraw/zinc/76/53/86/837765386.db2.gz HDFZAHMDTGQVGQ-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001061861424 837764687 /nfs/dbraw/zinc/76/46/87/837764687.db2.gz HDFZAHMDTGQVGQ-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001061861424 837764680 /nfs/dbraw/zinc/76/46/80/837764680.db2.gz HDFZAHMDTGQVGQ-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCN3C)CCC2)O1 ZINC001062715235 837796503 /nfs/dbraw/zinc/79/65/03/837796503.db2.gz QCESHOROIMFSNZ-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC2)O1 ZINC001062715235 837796494 /nfs/dbraw/zinc/79/64/94/837796494.db2.gz QCESHOROIMFSNZ-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCN3C)CCC2)O1 ZINC001062715236 837796712 /nfs/dbraw/zinc/79/67/12/837796712.db2.gz QCESHOROIMFSNZ-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC2)O1 ZINC001062715236 837796706 /nfs/dbraw/zinc/79/67/06/837796706.db2.gz QCESHOROIMFSNZ-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747194 837805760 /nfs/dbraw/zinc/80/57/60/837805760.db2.gz IVVWSGNDINXDHL-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747194 837805750 /nfs/dbraw/zinc/80/57/50/837805750.db2.gz IVVWSGNDINXDHL-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001062747194 837805741 /nfs/dbraw/zinc/80/57/41/837805741.db2.gz IVVWSGNDINXDHL-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001062747194 837805735 /nfs/dbraw/zinc/80/57/35/837805735.db2.gz IVVWSGNDINXDHL-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747195 837805064 /nfs/dbraw/zinc/80/50/64/837805064.db2.gz IVVWSGNDINXDHL-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747195 837805045 /nfs/dbraw/zinc/80/50/45/837805045.db2.gz IVVWSGNDINXDHL-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001062747195 837805035 /nfs/dbraw/zinc/80/50/35/837805035.db2.gz IVVWSGNDINXDHL-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001062747195 837805019 /nfs/dbraw/zinc/80/50/19/837805019.db2.gz IVVWSGNDINXDHL-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063100175 837811195 /nfs/dbraw/zinc/81/11/95/837811195.db2.gz HSFSPTODOYHELH-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063100175 837811184 /nfs/dbraw/zinc/81/11/84/837811184.db2.gz HSFSPTODOYHELH-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063100175 837811170 /nfs/dbraw/zinc/81/11/70/837811170.db2.gz HSFSPTODOYHELH-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063100175 837811160 /nfs/dbraw/zinc/81/11/60/837811160.db2.gz HSFSPTODOYHELH-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063100176 837810571 /nfs/dbraw/zinc/81/05/71/837810571.db2.gz HSFSPTODOYHELH-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063100176 837810552 /nfs/dbraw/zinc/81/05/52/837810552.db2.gz HSFSPTODOYHELH-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063100176 837810537 /nfs/dbraw/zinc/81/05/37/837810537.db2.gz HSFSPTODOYHELH-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063100176 837810521 /nfs/dbraw/zinc/81/05/21/837810521.db2.gz HSFSPTODOYHELH-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC2)O1 ZINC001063494501 837821728 /nfs/dbraw/zinc/82/17/28/837821728.db2.gz SSRZLOBSCAGJJP-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)O1 ZINC001063494501 837821712 /nfs/dbraw/zinc/82/17/12/837821712.db2.gz SSRZLOBSCAGJJP-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCC2)O1 ZINC001063494501 837821695 /nfs/dbraw/zinc/82/16/95/837821695.db2.gz SSRZLOBSCAGJJP-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCC2)O1 ZINC001063494501 837821680 /nfs/dbraw/zinc/82/16/80/837821680.db2.gz SSRZLOBSCAGJJP-QLFBSQMISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CCC2)O1 ZINC001063494502 837820761 /nfs/dbraw/zinc/82/07/61/837820761.db2.gz SSRZLOBSCAGJJP-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC2)O1 ZINC001063494502 837820752 /nfs/dbraw/zinc/82/07/52/837820752.db2.gz SSRZLOBSCAGJJP-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCC2)O1 ZINC001063494502 837820741 /nfs/dbraw/zinc/82/07/41/837820741.db2.gz SSRZLOBSCAGJJP-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCC2)O1 ZINC001063494502 837820727 /nfs/dbraw/zinc/82/07/27/837820727.db2.gz SSRZLOBSCAGJJP-RBSFLKMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCC2)O1 ZINC001063496835 837820241 /nfs/dbraw/zinc/82/02/41/837820241.db2.gz INCZLXZMXWOEPV-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCC2)O1 ZINC001063496835 837820233 /nfs/dbraw/zinc/82/02/33/837820233.db2.gz INCZLXZMXWOEPV-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063496999 837820109 /nfs/dbraw/zinc/82/01/09/837820109.db2.gz KQWRCGISQHUJOQ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063496999 837820096 /nfs/dbraw/zinc/82/00/96/837820096.db2.gz KQWRCGISQHUJOQ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063496999 837820086 /nfs/dbraw/zinc/82/00/86/837820086.db2.gz KQWRCGISQHUJOQ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063496999 837820073 /nfs/dbraw/zinc/82/00/73/837820073.db2.gz KQWRCGISQHUJOQ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063497000 837819709 /nfs/dbraw/zinc/81/97/09/837819709.db2.gz KQWRCGISQHUJOQ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063497000 837819699 /nfs/dbraw/zinc/81/96/99/837819699.db2.gz KQWRCGISQHUJOQ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063497000 837819689 /nfs/dbraw/zinc/81/96/89/837819689.db2.gz KQWRCGISQHUJOQ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063497000 837819675 /nfs/dbraw/zinc/81/96/75/837819675.db2.gz KQWRCGISQHUJOQ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001065205477 839031194 /nfs/dbraw/zinc/03/11/94/839031194.db2.gz DHWKKZJLEZPXGQ-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001065205478 839031517 /nfs/dbraw/zinc/03/15/17/839031517.db2.gz DHWKKZJLEZPXGQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)O1 ZINC001065297380 839155362 /nfs/dbraw/zinc/15/53/62/839155362.db2.gz ICVGZUMLNIQJCZ-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)O1 ZINC001065297380 839155355 /nfs/dbraw/zinc/15/53/55/839155355.db2.gz ICVGZUMLNIQJCZ-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)O1 ZINC001065297382 839155319 /nfs/dbraw/zinc/15/53/19/839155319.db2.gz ICVGZUMLNIQJCZ-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)O1 ZINC001065297382 839155312 /nfs/dbraw/zinc/15/53/12/839155312.db2.gz ICVGZUMLNIQJCZ-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)O1 ZINC001065574954 839161337 /nfs/dbraw/zinc/16/13/37/839161337.db2.gz PZZBKNPUPSBKDO-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)O1 ZINC001065574954 839161335 /nfs/dbraw/zinc/16/13/35/839161335.db2.gz PZZBKNPUPSBKDO-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)O1 ZINC001065574955 839160917 /nfs/dbraw/zinc/16/09/17/839160917.db2.gz PZZBKNPUPSBKDO-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)O1 ZINC001065574955 839160913 /nfs/dbraw/zinc/16/09/13/839160913.db2.gz PZZBKNPUPSBKDO-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001067081448 842112135 /nfs/dbraw/zinc/11/21/35/842112135.db2.gz OHQYJWLQJVQHCF-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001067081448 842112133 /nfs/dbraw/zinc/11/21/33/842112133.db2.gz OHQYJWLQJVQHCF-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001067081448 842112130 /nfs/dbraw/zinc/11/21/30/842112130.db2.gz OHQYJWLQJVQHCF-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001067081448 842112122 /nfs/dbraw/zinc/11/21/22/842112122.db2.gz OHQYJWLQJVQHCF-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001067081449 842112480 /nfs/dbraw/zinc/11/24/80/842112480.db2.gz OHQYJWLQJVQHCF-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001067081449 842112475 /nfs/dbraw/zinc/11/24/75/842112475.db2.gz OHQYJWLQJVQHCF-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001067081449 842112470 /nfs/dbraw/zinc/11/24/70/842112470.db2.gz OHQYJWLQJVQHCF-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001067081449 842112466 /nfs/dbraw/zinc/11/24/66/842112466.db2.gz OHQYJWLQJVQHCF-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)O1 ZINC001067463980 679518006 /nfs/dbraw/zinc/51/80/06/679518006.db2.gz UQIDXEJWRGAICB-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)O1 ZINC001067463980 679518003 /nfs/dbraw/zinc/51/80/03/679518003.db2.gz UQIDXEJWRGAICB-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001067463980 679518000 /nfs/dbraw/zinc/51/80/00/679518000.db2.gz UQIDXEJWRGAICB-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001067463980 679517997 /nfs/dbraw/zinc/51/79/97/679517997.db2.gz UQIDXEJWRGAICB-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)O1 ZINC001067463983 679518026 /nfs/dbraw/zinc/51/80/26/679518026.db2.gz UQIDXEJWRGAICB-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)O1 ZINC001067463983 679518024 /nfs/dbraw/zinc/51/80/24/679518024.db2.gz UQIDXEJWRGAICB-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001067463983 679518022 /nfs/dbraw/zinc/51/80/22/679518022.db2.gz UQIDXEJWRGAICB-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001067463983 679518021 /nfs/dbraw/zinc/51/80/21/679518021.db2.gz UQIDXEJWRGAICB-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068401273 842174377 /nfs/dbraw/zinc/17/43/77/842174377.db2.gz BKOBMMRDNTZCPX-HUUCEWRRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)CC[N@H+]1C ZINC001068454243 842177102 /nfs/dbraw/zinc/17/71/02/842177102.db2.gz LGIMVVGXSLCKLZ-HUUCEWRRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068885035 842185820 /nfs/dbraw/zinc/18/58/20/842185820.db2.gz LTVQDDSSWLCJEZ-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068885036 842185780 /nfs/dbraw/zinc/18/57/80/842185780.db2.gz LTVQDDSSWLCJEZ-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)CC[N@H+]1C ZINC001069015929 842187792 /nfs/dbraw/zinc/18/77/92/842187792.db2.gz ZJRUAYWZJHKZJC-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)CC[N@H+]1C ZINC001069015930 842188006 /nfs/dbraw/zinc/18/80/06/842188006.db2.gz ZJRUAYWZJHKZJC-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001069845004 842194221 /nfs/dbraw/zinc/19/42/21/842194221.db2.gz RQECLHYBZVGEMR-HZSPNIEDSA-N 2 1 350.467 -0.072 20 0 FBADMP CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001069845004 842194216 /nfs/dbraw/zinc/19/42/16/842194216.db2.gz RQECLHYBZVGEMR-HZSPNIEDSA-N 2 1 350.467 -0.072 20 0 FBADMP CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001069845005 842195011 /nfs/dbraw/zinc/19/50/11/842195011.db2.gz RQECLHYBZVGEMR-MGPQQGTHSA-N 2 1 350.467 -0.072 20 0 FBADMP CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001069845005 842195008 /nfs/dbraw/zinc/19/50/08/842195008.db2.gz RQECLHYBZVGEMR-MGPQQGTHSA-N 2 1 350.467 -0.072 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924754 842205468 /nfs/dbraw/zinc/20/54/68/842205468.db2.gz DABCHVMNXHKXKD-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924754 842205465 /nfs/dbraw/zinc/20/54/65/842205465.db2.gz DABCHVMNXHKXKD-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924754 842205456 /nfs/dbraw/zinc/20/54/56/842205456.db2.gz DABCHVMNXHKXKD-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924754 842205448 /nfs/dbraw/zinc/20/54/48/842205448.db2.gz DABCHVMNXHKXKD-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924755 842205187 /nfs/dbraw/zinc/20/51/87/842205187.db2.gz DABCHVMNXHKXKD-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924755 842205179 /nfs/dbraw/zinc/20/51/79/842205179.db2.gz DABCHVMNXHKXKD-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924755 842205173 /nfs/dbraw/zinc/20/51/73/842205173.db2.gz DABCHVMNXHKXKD-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069924755 842205168 /nfs/dbraw/zinc/20/51/68/842205168.db2.gz DABCHVMNXHKXKD-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069932183 842207315 /nfs/dbraw/zinc/20/73/15/842207315.db2.gz UUHYYQJZAAVHCM-JJXSEGSLSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069932183 842207307 /nfs/dbraw/zinc/20/73/07/842207307.db2.gz UUHYYQJZAAVHCM-JJXSEGSLSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069932183 842207302 /nfs/dbraw/zinc/20/73/02/842207302.db2.gz UUHYYQJZAAVHCM-JJXSEGSLSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069932183 842207294 /nfs/dbraw/zinc/20/72/94/842207294.db2.gz UUHYYQJZAAVHCM-JJXSEGSLSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069932200 842207389 /nfs/dbraw/zinc/20/73/89/842207389.db2.gz UXHQANQTALWWTM-JJXSEGSLSA-N 2 1 350.467 -0.268 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069932200 842207379 /nfs/dbraw/zinc/20/73/79/842207379.db2.gz UXHQANQTALWWTM-JJXSEGSLSA-N 2 1 350.467 -0.268 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069932200 842207370 /nfs/dbraw/zinc/20/73/70/842207370.db2.gz UXHQANQTALWWTM-JJXSEGSLSA-N 2 1 350.467 -0.268 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942196 842209083 /nfs/dbraw/zinc/20/90/83/842209083.db2.gz QRDLTWFXYMUELM-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942196 842209068 /nfs/dbraw/zinc/20/90/68/842209068.db2.gz QRDLTWFXYMUELM-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942196 842209057 /nfs/dbraw/zinc/20/90/57/842209057.db2.gz QRDLTWFXYMUELM-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942196 842209048 /nfs/dbraw/zinc/20/90/48/842209048.db2.gz QRDLTWFXYMUELM-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942197 842209149 /nfs/dbraw/zinc/20/91/49/842209149.db2.gz QRDLTWFXYMUELM-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942197 842209138 /nfs/dbraw/zinc/20/91/38/842209138.db2.gz QRDLTWFXYMUELM-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942197 842209131 /nfs/dbraw/zinc/20/91/31/842209131.db2.gz QRDLTWFXYMUELM-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069942197 842209120 /nfs/dbraw/zinc/20/91/20/842209120.db2.gz QRDLTWFXYMUELM-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945351 842210890 /nfs/dbraw/zinc/21/08/90/842210890.db2.gz KBTLQXRVNDHBJI-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945351 842210878 /nfs/dbraw/zinc/21/08/78/842210878.db2.gz KBTLQXRVNDHBJI-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069945351 842210866 /nfs/dbraw/zinc/21/08/66/842210866.db2.gz KBTLQXRVNDHBJI-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069945351 842210857 /nfs/dbraw/zinc/21/08/57/842210857.db2.gz KBTLQXRVNDHBJI-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945352 842210764 /nfs/dbraw/zinc/21/07/64/842210764.db2.gz KBTLQXRVNDHBJI-XHSDSOJGSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945352 842210759 /nfs/dbraw/zinc/21/07/59/842210759.db2.gz KBTLQXRVNDHBJI-XHSDSOJGSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069945352 842210745 /nfs/dbraw/zinc/21/07/45/842210745.db2.gz KBTLQXRVNDHBJI-XHSDSOJGSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069945352 842210731 /nfs/dbraw/zinc/21/07/31/842210731.db2.gz KBTLQXRVNDHBJI-XHSDSOJGSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945362 842210534 /nfs/dbraw/zinc/21/05/34/842210534.db2.gz KVMPQPUDCSRUPC-OAGGEKHMSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945362 842210524 /nfs/dbraw/zinc/21/05/24/842210524.db2.gz KVMPQPUDCSRUPC-OAGGEKHMSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945362 842210513 /nfs/dbraw/zinc/21/05/13/842210513.db2.gz KVMPQPUDCSRUPC-OAGGEKHMSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945362 842210503 /nfs/dbraw/zinc/21/05/03/842210503.db2.gz KVMPQPUDCSRUPC-OAGGEKHMSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945363 842210338 /nfs/dbraw/zinc/21/03/38/842210338.db2.gz KVMPQPUDCSRUPC-XHSDSOJGSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945363 842210322 /nfs/dbraw/zinc/21/03/22/842210322.db2.gz KVMPQPUDCSRUPC-XHSDSOJGSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945363 842210315 /nfs/dbraw/zinc/21/03/15/842210315.db2.gz KVMPQPUDCSRUPC-XHSDSOJGSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069945363 842210306 /nfs/dbraw/zinc/21/03/06/842210306.db2.gz KVMPQPUDCSRUPC-XHSDSOJGSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958949 842213368 /nfs/dbraw/zinc/21/33/68/842213368.db2.gz UZXUPSINSBOYPN-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958949 842213357 /nfs/dbraw/zinc/21/33/57/842213357.db2.gz UZXUPSINSBOYPN-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958949 842213344 /nfs/dbraw/zinc/21/33/44/842213344.db2.gz UZXUPSINSBOYPN-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958949 842213331 /nfs/dbraw/zinc/21/33/31/842213331.db2.gz UZXUPSINSBOYPN-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069965757 842214809 /nfs/dbraw/zinc/21/48/09/842214809.db2.gz DNJRBXMCGGMJMZ-OAGGEKHMSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069965757 842214801 /nfs/dbraw/zinc/21/48/01/842214801.db2.gz DNJRBXMCGGMJMZ-OAGGEKHMSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069965757 842214793 /nfs/dbraw/zinc/21/47/93/842214793.db2.gz DNJRBXMCGGMJMZ-OAGGEKHMSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069965757 842214784 /nfs/dbraw/zinc/21/47/84/842214784.db2.gz DNJRBXMCGGMJMZ-OAGGEKHMSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069965758 842214957 /nfs/dbraw/zinc/21/49/57/842214957.db2.gz DNJRBXMCGGMJMZ-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069965758 842214947 /nfs/dbraw/zinc/21/49/47/842214947.db2.gz DNJRBXMCGGMJMZ-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069965758 842214934 /nfs/dbraw/zinc/21/49/34/842214934.db2.gz DNJRBXMCGGMJMZ-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069965758 842214924 /nfs/dbraw/zinc/21/49/24/842214924.db2.gz DNJRBXMCGGMJMZ-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001069996118 842222448 /nfs/dbraw/zinc/22/24/48/842222448.db2.gz QUMRJLLRFURHCV-CABCVRRESA-N 2 1 350.467 -0.124 20 0 FBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001069996118 842222436 /nfs/dbraw/zinc/22/24/36/842222436.db2.gz QUMRJLLRFURHCV-CABCVRRESA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996235 842222787 /nfs/dbraw/zinc/22/27/87/842222787.db2.gz XSTMZGNXAMTGJS-KFWWJZLASA-N 2 1 350.467 -0.125 20 0 FBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996235 842222780 /nfs/dbraw/zinc/22/27/80/842222780.db2.gz XSTMZGNXAMTGJS-KFWWJZLASA-N 2 1 350.467 -0.125 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996236 842222923 /nfs/dbraw/zinc/22/29/23/842222923.db2.gz XSTMZGNXAMTGJS-ZNMIVQPWSA-N 2 1 350.467 -0.125 20 0 FBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996236 842222916 /nfs/dbraw/zinc/22/29/16/842222916.db2.gz XSTMZGNXAMTGJS-ZNMIVQPWSA-N 2 1 350.467 -0.125 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006478 842223789 /nfs/dbraw/zinc/22/37/89/842223789.db2.gz YCMBFQIFYSUGAF-OAGGEKHMSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006478 842223778 /nfs/dbraw/zinc/22/37/78/842223778.db2.gz YCMBFQIFYSUGAF-OAGGEKHMSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006478 842223767 /nfs/dbraw/zinc/22/37/67/842223767.db2.gz YCMBFQIFYSUGAF-OAGGEKHMSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006478 842223757 /nfs/dbraw/zinc/22/37/57/842223757.db2.gz YCMBFQIFYSUGAF-OAGGEKHMSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006479 842223662 /nfs/dbraw/zinc/22/36/62/842223662.db2.gz YCMBFQIFYSUGAF-XHSDSOJGSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006479 842223652 /nfs/dbraw/zinc/22/36/52/842223652.db2.gz YCMBFQIFYSUGAF-XHSDSOJGSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006479 842223642 /nfs/dbraw/zinc/22/36/42/842223642.db2.gz YCMBFQIFYSUGAF-XHSDSOJGSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006479 842223632 /nfs/dbraw/zinc/22/36/32/842223632.db2.gz YCMBFQIFYSUGAF-XHSDSOJGSA-N 2 1 350.467 -0.266 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001070008115 842224109 /nfs/dbraw/zinc/22/41/09/842224109.db2.gz RJGZRFLGYWSEJI-JONQDZQNSA-N 2 1 350.467 -0.268 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001070008115 842224096 /nfs/dbraw/zinc/22/40/96/842224096.db2.gz RJGZRFLGYWSEJI-JONQDZQNSA-N 2 1 350.467 -0.268 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001070008115 842224090 /nfs/dbraw/zinc/22/40/90/842224090.db2.gz RJGZRFLGYWSEJI-JONQDZQNSA-N 2 1 350.467 -0.268 20 0 FBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008178 842224255 /nfs/dbraw/zinc/22/42/55/842224255.db2.gz VDJMNYUQCGMXFU-JONQDZQNSA-N 2 1 350.467 -0.004 20 0 FBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008178 842224234 /nfs/dbraw/zinc/22/42/34/842224234.db2.gz VDJMNYUQCGMXFU-JONQDZQNSA-N 2 1 350.467 -0.004 20 0 FBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008178 842224223 /nfs/dbraw/zinc/22/42/23/842224223.db2.gz VDJMNYUQCGMXFU-JONQDZQNSA-N 2 1 350.467 -0.004 20 0 FBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008178 842224214 /nfs/dbraw/zinc/22/42/14/842224214.db2.gz VDJMNYUQCGMXFU-JONQDZQNSA-N 2 1 350.467 -0.004 20 0 FBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015277 842224542 /nfs/dbraw/zinc/22/45/42/842224542.db2.gz OSAKKXJUFNHACX-BMFZPTHFSA-N 2 1 350.467 -0.004 20 0 FBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015278 842225528 /nfs/dbraw/zinc/22/55/28/842225528.db2.gz OSAKKXJUFNHACX-IMJJTQAJSA-N 2 1 350.467 -0.004 20 0 FBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015367 842225101 /nfs/dbraw/zinc/22/51/01/842225101.db2.gz VFLQBQUWJVSSPY-BMFZPTHFSA-N 2 1 350.467 -0.004 20 0 FBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015368 842225178 /nfs/dbraw/zinc/22/51/78/842225178.db2.gz VFLQBQUWJVSSPY-IMJJTQAJSA-N 2 1 350.467 -0.004 20 0 FBADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045799 842229063 /nfs/dbraw/zinc/22/90/63/842229063.db2.gz UXWHVXXYNAIMTK-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045799 842229054 /nfs/dbraw/zinc/22/90/54/842229054.db2.gz UXWHVXXYNAIMTK-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045800 842228868 /nfs/dbraw/zinc/22/88/68/842228868.db2.gz UXWHVXXYNAIMTK-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045800 842228857 /nfs/dbraw/zinc/22/88/57/842228857.db2.gz UXWHVXXYNAIMTK-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070046529 842230600 /nfs/dbraw/zinc/23/06/00/842230600.db2.gz BNYKJXCBPXSDLW-CVEARBPZSA-N 2 1 350.467 -0.266 20 0 FBADMP COCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046604 842231197 /nfs/dbraw/zinc/23/11/97/842231197.db2.gz GABIGWQDSJXCTD-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP COCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046604 842231187 /nfs/dbraw/zinc/23/11/87/842231187.db2.gz GABIGWQDSJXCTD-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046791 842231371 /nfs/dbraw/zinc/23/13/71/842231371.db2.gz OTEQUMBTYFVJAJ-BMFZPTHFSA-N 2 1 350.467 -0.268 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046792 842230303 /nfs/dbraw/zinc/23/03/03/842230303.db2.gz OTEQUMBTYFVJAJ-IMJJTQAJSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070068356 842235368 /nfs/dbraw/zinc/23/53/68/842235368.db2.gz VVHOEUOCQHIFSE-CVEARBPZSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070068356 842235358 /nfs/dbraw/zinc/23/53/58/842235358.db2.gz VVHOEUOCQHIFSE-CVEARBPZSA-N 2 1 350.467 -0.268 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100596 842240219 /nfs/dbraw/zinc/24/02/19/842240219.db2.gz XTVGQKYVRCBBDC-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100596 842240208 /nfs/dbraw/zinc/24/02/08/842240208.db2.gz XTVGQKYVRCBBDC-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100596 842240196 /nfs/dbraw/zinc/24/01/96/842240196.db2.gz XTVGQKYVRCBBDC-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100596 842240184 /nfs/dbraw/zinc/24/01/84/842240184.db2.gz XTVGQKYVRCBBDC-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100597 842239864 /nfs/dbraw/zinc/23/98/64/842239864.db2.gz XTVGQKYVRCBBDC-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100597 842239856 /nfs/dbraw/zinc/23/98/56/842239856.db2.gz XTVGQKYVRCBBDC-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100597 842239841 /nfs/dbraw/zinc/23/98/41/842239841.db2.gz XTVGQKYVRCBBDC-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100597 842239831 /nfs/dbraw/zinc/23/98/31/842239831.db2.gz XTVGQKYVRCBBDC-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070207800 842263812 /nfs/dbraw/zinc/26/38/12/842263812.db2.gz OZUAQKPDNULNKM-OAGGEKHMSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070207801 842263648 /nfs/dbraw/zinc/26/36/48/842263648.db2.gz OZUAQKPDNULNKM-XHSDSOJGSA-N 2 1 350.467 -0.410 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209123 842263969 /nfs/dbraw/zinc/26/39/69/842263969.db2.gz NDHRGXLBBBLMNH-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209124 842263860 /nfs/dbraw/zinc/26/38/60/842263860.db2.gz NDHRGXLBBBLMNH-XHSDSOJGSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217432 842265239 /nfs/dbraw/zinc/26/52/39/842265239.db2.gz DXWPVWGRLMFEJX-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217432 842265230 /nfs/dbraw/zinc/26/52/30/842265230.db2.gz DXWPVWGRLMFEJX-LVQVYYBASA-N 2 1 350.467 -0.005 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224074 842266789 /nfs/dbraw/zinc/26/67/89/842266789.db2.gz LRARKJATQGZQTD-OAGGEKHMSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224075 842266451 /nfs/dbraw/zinc/26/64/51/842266451.db2.gz LRARKJATQGZQTD-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070258264 842274402 /nfs/dbraw/zinc/27/44/02/842274402.db2.gz MXZCODMLBLXQGK-OAGGEKHMSA-N 2 1 350.467 -0.266 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070258265 842274182 /nfs/dbraw/zinc/27/41/82/842274182.db2.gz MXZCODMLBLXQGK-XHSDSOJGSA-N 2 1 350.467 -0.266 20 0 FBADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275266 842278068 /nfs/dbraw/zinc/27/80/68/842278068.db2.gz DCZCDOSFJBDAAJ-KFWWJZLASA-N 2 1 350.467 -0.268 20 0 FBADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275267 842277963 /nfs/dbraw/zinc/27/79/63/842277963.db2.gz DCZCDOSFJBDAAJ-ZNMIVQPWSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289708 842280732 /nfs/dbraw/zinc/28/07/32/842280732.db2.gz RHSDSXVRDJOECY-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289709 842280700 /nfs/dbraw/zinc/28/07/00/842280700.db2.gz RHSDSXVRDJOECY-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070295149 842281655 /nfs/dbraw/zinc/28/16/55/842281655.db2.gz OFMCZWBJRXBTNW-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3cnns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327254 842286028 /nfs/dbraw/zinc/28/60/28/842286028.db2.gz ZOARJLJMDTVUCJ-BNOWGMLFSA-N 2 1 362.463 -0.377 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3cnns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327255 842286092 /nfs/dbraw/zinc/28/60/92/842286092.db2.gz ZOARJLJMDTVUCJ-YUTCNCBUSA-N 2 1 362.463 -0.377 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001070331180 842286536 /nfs/dbraw/zinc/28/65/36/842286536.db2.gz IBAZNFJUMAQVML-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001070331180 842286530 /nfs/dbraw/zinc/28/65/30/842286530.db2.gz IBAZNFJUMAQVML-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001070331181 842287380 /nfs/dbraw/zinc/28/73/80/842287380.db2.gz IBAZNFJUMAQVML-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001070331181 842287373 /nfs/dbraw/zinc/28/73/73/842287373.db2.gz IBAZNFJUMAQVML-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001070367089 842289829 /nfs/dbraw/zinc/28/98/29/842289829.db2.gz DKOXKNPPCLSVEA-INMHGKMJSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001070367090 842289310 /nfs/dbraw/zinc/28/93/10/842289310.db2.gz DKOXKNPPCLSVEA-VYDXJSESSA-N 2 1 352.479 -0.452 20 0 FBADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367349 842290043 /nfs/dbraw/zinc/29/00/43/842290043.db2.gz QTSVZZQCDLIDIR-INMHGKMJSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001070367349 842290033 /nfs/dbraw/zinc/29/00/33/842290033.db2.gz QTSVZZQCDLIDIR-INMHGKMJSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367350 842290923 /nfs/dbraw/zinc/29/09/23/842290923.db2.gz QTSVZZQCDLIDIR-VYDXJSESSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001070367350 842290904 /nfs/dbraw/zinc/29/09/04/842290904.db2.gz QTSVZZQCDLIDIR-VYDXJSESSA-N 2 1 352.479 -0.188 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)C1 ZINC001070382518 842292761 /nfs/dbraw/zinc/29/27/61/842292761.db2.gz DLECWQURVRABKA-INMHGKMJSA-N 2 1 352.479 -0.594 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)C1 ZINC001070382519 842292565 /nfs/dbraw/zinc/29/25/65/842292565.db2.gz DLECWQURVRABKA-UXLLHSPISA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCO)C2)O1 ZINC001070413007 842292355 /nfs/dbraw/zinc/29/23/55/842292355.db2.gz QJRPIXDECZOOLN-UMVBOHGHSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)O1 ZINC001070413007 842292349 /nfs/dbraw/zinc/29/23/49/842292349.db2.gz QJRPIXDECZOOLN-UMVBOHGHSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCO)C2)O1 ZINC001070413007 842292343 /nfs/dbraw/zinc/29/23/43/842292343.db2.gz QJRPIXDECZOOLN-UMVBOHGHSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCO)C2)O1 ZINC001070413007 842292337 /nfs/dbraw/zinc/29/23/37/842292337.db2.gz QJRPIXDECZOOLN-UMVBOHGHSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCO)C2)O1 ZINC001070413008 842292329 /nfs/dbraw/zinc/29/23/29/842292329.db2.gz QJRPIXDECZOOLN-VNHYZAJKSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)O1 ZINC001070413008 842292325 /nfs/dbraw/zinc/29/23/25/842292325.db2.gz QJRPIXDECZOOLN-VNHYZAJKSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCO)C2)O1 ZINC001070413008 842292317 /nfs/dbraw/zinc/29/23/17/842292317.db2.gz QJRPIXDECZOOLN-VNHYZAJKSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCO)C2)O1 ZINC001070413008 842292309 /nfs/dbraw/zinc/29/23/09/842292309.db2.gz QJRPIXDECZOOLN-VNHYZAJKSA-N 2 1 351.451 -0.473 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)O1 ZINC001070506128 842296452 /nfs/dbraw/zinc/29/64/52/842296452.db2.gz ZUGMNJISXOFTAA-OCVGTWLNSA-N 2 1 351.451 -0.985 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)O1 ZINC001070506128 842296443 /nfs/dbraw/zinc/29/64/43/842296443.db2.gz ZUGMNJISXOFTAA-OCVGTWLNSA-N 2 1 351.451 -0.985 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070546520 842299244 /nfs/dbraw/zinc/29/92/44/842299244.db2.gz BAJVXRFUALIIAX-GOEBONIOSA-N 2 1 351.451 -0.981 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070566501 842298716 /nfs/dbraw/zinc/29/87/16/842298716.db2.gz RTAPWRBFDDZPPL-IMJJTQAJSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070566501 842298707 /nfs/dbraw/zinc/29/87/07/842298707.db2.gz RTAPWRBFDDZPPL-IMJJTQAJSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070566502 842298892 /nfs/dbraw/zinc/29/88/92/842298892.db2.gz RTAPWRBFDDZPPL-NUEKZKHPSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070566502 842298882 /nfs/dbraw/zinc/29/88/82/842298882.db2.gz RTAPWRBFDDZPPL-NUEKZKHPSA-N 2 1 351.451 -0.983 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)O1 ZINC001070660889 842306088 /nfs/dbraw/zinc/30/60/88/842306088.db2.gz RSVQENBNAQCINE-IXYNUQLISA-N 2 1 351.451 -0.985 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)O1 ZINC001070660889 842306076 /nfs/dbraw/zinc/30/60/76/842306076.db2.gz RSVQENBNAQCINE-IXYNUQLISA-N 2 1 351.451 -0.985 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCO ZINC001070703953 842309403 /nfs/dbraw/zinc/30/94/03/842309403.db2.gz WBXOMUXCRAWGKR-HUUCEWRRSA-N 2 1 351.451 -0.981 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070720393 842310647 /nfs/dbraw/zinc/31/06/47/842310647.db2.gz OYSRMBPOGJZASJ-FMKPAKJESA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070720393 842310634 /nfs/dbraw/zinc/31/06/34/842310634.db2.gz OYSRMBPOGJZASJ-FMKPAKJESA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070720394 842309891 /nfs/dbraw/zinc/30/98/91/842309891.db2.gz OYSRMBPOGJZASJ-IIAWOOMASA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070720394 842309881 /nfs/dbraw/zinc/30/98/81/842309881.db2.gz OYSRMBPOGJZASJ-IIAWOOMASA-N 2 1 351.451 -0.983 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)CC[NH+]1C ZINC001070965552 842324872 /nfs/dbraw/zinc/32/48/72/842324872.db2.gz HUCPBLZPYPLEQP-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)CC[NH+]1C ZINC001070965552 842324862 /nfs/dbraw/zinc/32/48/62/842324862.db2.gz HUCPBLZPYPLEQP-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)CC[N@H+]1C ZINC001070965552 842324852 /nfs/dbraw/zinc/32/48/52/842324852.db2.gz HUCPBLZPYPLEQP-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC001070965552 842324842 /nfs/dbraw/zinc/32/48/42/842324842.db2.gz HUCPBLZPYPLEQP-JKSUJKDBSA-N 2 1 354.495 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@H](C)O)CC2)CC[NH+]1C ZINC001070966728 842325459 /nfs/dbraw/zinc/32/54/59/842325459.db2.gz KHFHVSKIBGCVNP-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@H](C)O)CC2)CC[NH+]1C ZINC001070966728 842325451 /nfs/dbraw/zinc/32/54/51/842325451.db2.gz KHFHVSKIBGCVNP-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H](C)O)CC2)CC[N@H+]1C ZINC001070966728 842325438 /nfs/dbraw/zinc/32/54/38/842325438.db2.gz KHFHVSKIBGCVNP-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H](C)O)CC2)CC[N@@H+]1C ZINC001070966728 842325427 /nfs/dbraw/zinc/32/54/27/842325427.db2.gz KHFHVSKIBGCVNP-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@@H](C)O)CC2)CC[NH+]1C ZINC001070966729 842325584 /nfs/dbraw/zinc/32/55/84/842325584.db2.gz KHFHVSKIBGCVNP-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC2)CC[NH+]1C ZINC001070966729 842325577 /nfs/dbraw/zinc/32/55/77/842325577.db2.gz KHFHVSKIBGCVNP-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H](C)O)CC2)CC[N@H+]1C ZINC001070966729 842325564 /nfs/dbraw/zinc/32/55/64/842325564.db2.gz KHFHVSKIBGCVNP-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H](C)O)CC2)CC[N@@H+]1C ZINC001070966729 842325558 /nfs/dbraw/zinc/32/55/58/842325558.db2.gz KHFHVSKIBGCVNP-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001071056991 842329394 /nfs/dbraw/zinc/32/93/94/842329394.db2.gz WFJQFMNVJRTSIG-MMTVNHQJSA-N 2 1 352.479 -0.202 20 0 FBADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001071062239 842330479 /nfs/dbraw/zinc/33/04/79/842330479.db2.gz RICNRYYAQHMPAP-QAPCUYQASA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)O1 ZINC001071065481 842330538 /nfs/dbraw/zinc/33/05/38/842330538.db2.gz UXXIHPYVDDQOMN-DZUCGIPZSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)O1 ZINC001071065481 842330530 /nfs/dbraw/zinc/33/05/30/842330530.db2.gz UXXIHPYVDDQOMN-DZUCGIPZSA-N 2 1 355.479 -0.317 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066240 842330438 /nfs/dbraw/zinc/33/04/38/842330438.db2.gz IQUYIDLBJJLWIT-INMHGKMJSA-N 2 1 352.479 -0.058 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066241 842329965 /nfs/dbraw/zinc/32/99/65/842329965.db2.gz IQUYIDLBJJLWIT-VYDXJSESSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086144 842331985 /nfs/dbraw/zinc/33/19/85/842331985.db2.gz RFGLOHNSEJCOQU-JOQOYGCGSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086145 842332410 /nfs/dbraw/zinc/33/24/10/842332410.db2.gz RFGLOHNSEJCOQU-SIIHOXLZSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071087094 842332865 /nfs/dbraw/zinc/33/28/65/842332865.db2.gz KMYYIYDCSXMGGT-JOQOYGCGSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071087095 842332532 /nfs/dbraw/zinc/33/25/32/842332532.db2.gz KMYYIYDCSXMGGT-SIIHOXLZSA-N 2 1 352.479 -0.201 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071094591 842332635 /nfs/dbraw/zinc/33/26/35/842332635.db2.gz MMSBPYRPLZUWKR-AEFFLSMTSA-N 2 1 355.479 -0.313 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071098421 842332322 /nfs/dbraw/zinc/33/23/22/842332322.db2.gz MSVMYNAYBMUXFA-JOQOYGCGSA-N 2 1 352.479 -0.201 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071098422 842331913 /nfs/dbraw/zinc/33/19/13/842331913.db2.gz MSVMYNAYBMUXFA-SIIHOXLZSA-N 2 1 352.479 -0.201 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071105269 842333981 /nfs/dbraw/zinc/33/39/81/842333981.db2.gz LXTPGQIKCSJDSO-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071105269 842333966 /nfs/dbraw/zinc/33/39/66/842333966.db2.gz LXTPGQIKCSJDSO-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071105271 842334039 /nfs/dbraw/zinc/33/40/39/842334039.db2.gz LXTPGQIKCSJDSO-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071105271 842334028 /nfs/dbraw/zinc/33/40/28/842334028.db2.gz LXTPGQIKCSJDSO-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCN(C)C2=O)C3)O1 ZINC001072849741 842337735 /nfs/dbraw/zinc/33/77/35/842337735.db2.gz KIBWWKJADHZGJQ-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCN(C)C2=O)C3)O1 ZINC001072849741 842337725 /nfs/dbraw/zinc/33/77/25/842337725.db2.gz KIBWWKJADHZGJQ-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)C3)O1 ZINC001072849741 842337713 /nfs/dbraw/zinc/33/77/13/842337713.db2.gz KIBWWKJADHZGJQ-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)C3)O1 ZINC001072849741 842337702 /nfs/dbraw/zinc/33/77/02/842337702.db2.gz KIBWWKJADHZGJQ-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCN(C)C2=O)C3)O1 ZINC001072849742 842338939 /nfs/dbraw/zinc/33/89/39/842338939.db2.gz KIBWWKJADHZGJQ-RBSFLKMASA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCN(C)C2=O)C3)O1 ZINC001072849742 842338926 /nfs/dbraw/zinc/33/89/26/842338926.db2.gz KIBWWKJADHZGJQ-RBSFLKMASA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)C3)O1 ZINC001072849742 842338917 /nfs/dbraw/zinc/33/89/17/842338917.db2.gz KIBWWKJADHZGJQ-RBSFLKMASA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)C3)O1 ZINC001072849742 842338903 /nfs/dbraw/zinc/33/89/03/842338903.db2.gz KIBWWKJADHZGJQ-RBSFLKMASA-N 2 1 350.463 -0.530 20 0 FBADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849766 842339130 /nfs/dbraw/zinc/33/91/30/842339130.db2.gz LPCSRTASKMZATH-QLFBSQMISA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849766 842339119 /nfs/dbraw/zinc/33/91/19/842339119.db2.gz LPCSRTASKMZATH-QLFBSQMISA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849766 842339108 /nfs/dbraw/zinc/33/91/08/842339108.db2.gz LPCSRTASKMZATH-QLFBSQMISA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849766 842339102 /nfs/dbraw/zinc/33/91/02/842339102.db2.gz LPCSRTASKMZATH-QLFBSQMISA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849771 842337959 /nfs/dbraw/zinc/33/79/59/842337959.db2.gz LPCSRTASKMZATH-RBSFLKMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849771 842337940 /nfs/dbraw/zinc/33/79/40/842337940.db2.gz LPCSRTASKMZATH-RBSFLKMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849771 842337928 /nfs/dbraw/zinc/33/79/28/842337928.db2.gz LPCSRTASKMZATH-RBSFLKMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849771 842337916 /nfs/dbraw/zinc/33/79/16/842337916.db2.gz LPCSRTASKMZATH-RBSFLKMASA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)O1 ZINC001072851216 842339365 /nfs/dbraw/zinc/33/93/65/842339365.db2.gz OCCOEOWBFGZEBJ-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCCNC2=O)C3)O1 ZINC001072851216 842339351 /nfs/dbraw/zinc/33/93/51/842339351.db2.gz OCCOEOWBFGZEBJ-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)C3)O1 ZINC001072851216 842339341 /nfs/dbraw/zinc/33/93/41/842339341.db2.gz OCCOEOWBFGZEBJ-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)C3)O1 ZINC001072851216 842339325 /nfs/dbraw/zinc/33/93/25/842339325.db2.gz OCCOEOWBFGZEBJ-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)O1 ZINC001072851217 842339512 /nfs/dbraw/zinc/33/95/12/842339512.db2.gz OCCOEOWBFGZEBJ-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCCNC2=O)C3)O1 ZINC001072851217 842339495 /nfs/dbraw/zinc/33/94/95/842339495.db2.gz OCCOEOWBFGZEBJ-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)C3)O1 ZINC001072851217 842339482 /nfs/dbraw/zinc/33/94/82/842339482.db2.gz OCCOEOWBFGZEBJ-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)C3)O1 ZINC001072851217 842339472 /nfs/dbraw/zinc/33/94/72/842339472.db2.gz OCCOEOWBFGZEBJ-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073611134 842349626 /nfs/dbraw/zinc/34/96/26/842349626.db2.gz OFKHGSWBFJYTDZ-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073611134 842349613 /nfs/dbraw/zinc/34/96/13/842349613.db2.gz OFKHGSWBFJYTDZ-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@H+]1C ZINC001073611134 842349604 /nfs/dbraw/zinc/34/96/04/842349604.db2.gz OFKHGSWBFJYTDZ-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073611135 842350900 /nfs/dbraw/zinc/35/09/00/842350900.db2.gz OFKHGSWBFJYTDZ-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073611135 842350890 /nfs/dbraw/zinc/35/08/90/842350890.db2.gz OFKHGSWBFJYTDZ-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@H+]1C ZINC001073611135 842350882 /nfs/dbraw/zinc/35/08/82/842350882.db2.gz OFKHGSWBFJYTDZ-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073611368 842350015 /nfs/dbraw/zinc/35/00/15/842350015.db2.gz VIKFTXMPGGYGKE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073611368 842350003 /nfs/dbraw/zinc/35/00/03/842350003.db2.gz VIKFTXMPGGYGKE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@H+]1C ZINC001073611368 842349990 /nfs/dbraw/zinc/34/99/90/842349990.db2.gz VIKFTXMPGGYGKE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@@H+]1C ZINC001073611368 842349978 /nfs/dbraw/zinc/34/99/78/842349978.db2.gz VIKFTXMPGGYGKE-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073611369 842350754 /nfs/dbraw/zinc/35/07/54/842350754.db2.gz VIKFTXMPGGYGKE-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073611369 842350739 /nfs/dbraw/zinc/35/07/39/842350739.db2.gz VIKFTXMPGGYGKE-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@H+]1C ZINC001073611369 842350726 /nfs/dbraw/zinc/35/07/26/842350726.db2.gz VIKFTXMPGGYGKE-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@@H+]1C ZINC001073611369 842350716 /nfs/dbraw/zinc/35/07/16/842350716.db2.gz VIKFTXMPGGYGKE-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073611524 842349165 /nfs/dbraw/zinc/34/91/65/842349165.db2.gz ZKDAZNXCQFTNBD-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073611524 842349154 /nfs/dbraw/zinc/34/91/54/842349154.db2.gz ZKDAZNXCQFTNBD-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@H+]1C ZINC001073611524 842349146 /nfs/dbraw/zinc/34/91/46/842349146.db2.gz ZKDAZNXCQFTNBD-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@@H+]1C ZINC001073611524 842349139 /nfs/dbraw/zinc/34/91/39/842349139.db2.gz ZKDAZNXCQFTNBD-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073611525 842350119 /nfs/dbraw/zinc/35/01/19/842350119.db2.gz ZKDAZNXCQFTNBD-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073611525 842350107 /nfs/dbraw/zinc/35/01/07/842350107.db2.gz ZKDAZNXCQFTNBD-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@H+]1C ZINC001073611525 842350096 /nfs/dbraw/zinc/35/00/96/842350096.db2.gz ZKDAZNXCQFTNBD-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@@H+]1C ZINC001073611525 842350091 /nfs/dbraw/zinc/35/00/91/842350091.db2.gz ZKDAZNXCQFTNBD-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074603230 842364192 /nfs/dbraw/zinc/36/41/92/842364192.db2.gz AERGCHKQUOPFGF-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001074661612 842369694 /nfs/dbraw/zinc/36/96/94/842369694.db2.gz BGNAAMAQMXNICL-RQJABVFESA-N 2 1 351.451 -0.543 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001074661668 842369391 /nfs/dbraw/zinc/36/93/91/842369391.db2.gz FCIGIILBECUOQW-QXSJWSMHSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC[N@H+]1C ZINC001074663123 842369032 /nfs/dbraw/zinc/36/90/32/842369032.db2.gz JCRGGHWGKZEJCV-XDQVBPFNSA-N 2 1 350.467 -0.082 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074709954 842371633 /nfs/dbraw/zinc/37/16/33/842371633.db2.gz XLLDJYSKGFITII-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074709954 842371618 /nfs/dbraw/zinc/37/16/18/842371618.db2.gz XLLDJYSKGFITII-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710996 842371878 /nfs/dbraw/zinc/37/18/78/842371878.db2.gz MOROXDQFNYNTTG-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710996 842371870 /nfs/dbraw/zinc/37/18/70/842371870.db2.gz MOROXDQFNYNTTG-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074711145 842371193 /nfs/dbraw/zinc/37/11/93/842371193.db2.gz UBDMJMDMQGOGNK-CBBWQLFWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074711145 842371183 /nfs/dbraw/zinc/37/11/83/842371183.db2.gz UBDMJMDMQGOGNK-CBBWQLFWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074713299 842371347 /nfs/dbraw/zinc/37/13/47/842371347.db2.gz QDICVUBQAXVTFP-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619767 836097249 /nfs/dbraw/zinc/09/72/49/836097249.db2.gz ODLFPRSDDFLBLZ-ARFHVFGLSA-N 2 1 370.519 -0.351 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619767 836097241 /nfs/dbraw/zinc/09/72/41/836097241.db2.gz ODLFPRSDDFLBLZ-ARFHVFGLSA-N 2 1 370.519 -0.351 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619767 836097234 /nfs/dbraw/zinc/09/72/34/836097234.db2.gz ODLFPRSDDFLBLZ-ARFHVFGLSA-N 2 1 370.519 -0.351 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619767 836097223 /nfs/dbraw/zinc/09/72/23/836097223.db2.gz ODLFPRSDDFLBLZ-ARFHVFGLSA-N 2 1 370.519 -0.351 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619768 836097873 /nfs/dbraw/zinc/09/78/73/836097873.db2.gz ODLFPRSDDFLBLZ-HRCADAONSA-N 2 1 370.519 -0.351 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619768 836097863 /nfs/dbraw/zinc/09/78/63/836097863.db2.gz ODLFPRSDDFLBLZ-HRCADAONSA-N 2 1 370.519 -0.351 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619768 836097859 /nfs/dbraw/zinc/09/78/59/836097859.db2.gz ODLFPRSDDFLBLZ-HRCADAONSA-N 2 1 370.519 -0.351 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075619768 836097850 /nfs/dbraw/zinc/09/78/50/836097850.db2.gz ODLFPRSDDFLBLZ-HRCADAONSA-N 2 1 370.519 -0.351 20 0 FBADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645316 679547772 /nfs/dbraw/zinc/54/77/72/679547772.db2.gz YDECBGZHFMWDFY-IMJJTQAJSA-N 2 1 350.463 -0.530 20 0 FBADMP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645316 679547767 /nfs/dbraw/zinc/54/77/67/679547767.db2.gz YDECBGZHFMWDFY-IMJJTQAJSA-N 2 1 350.463 -0.530 20 0 FBADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645317 679547716 /nfs/dbraw/zinc/54/77/16/679547716.db2.gz YDECBGZHFMWDFY-NUEKZKHPSA-N 2 1 350.463 -0.530 20 0 FBADMP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645317 679547713 /nfs/dbraw/zinc/54/77/13/679547713.db2.gz YDECBGZHFMWDFY-NUEKZKHPSA-N 2 1 350.463 -0.530 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21)[NH+](C)C ZINC001075940197 679594538 /nfs/dbraw/zinc/59/45/38/679594538.db2.gz CILOJECLLOQCRC-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21)[NH+](C)C ZINC001075940197 679594535 /nfs/dbraw/zinc/59/45/35/679594535.db2.gz CILOJECLLOQCRC-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001075942089 679595082 /nfs/dbraw/zinc/59/50/82/679595082.db2.gz UBGPGZYPEDTWAB-BFHYXJOUSA-N 2 1 351.451 -0.589 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21)[NH+](C)C ZINC001076253185 679626964 /nfs/dbraw/zinc/62/69/64/679626964.db2.gz CILOJECLLOQCRC-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21)[NH+](C)C ZINC001076253185 679626961 /nfs/dbraw/zinc/62/69/61/679626961.db2.gz CILOJECLLOQCRC-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001076255129 679627082 /nfs/dbraw/zinc/62/70/82/679627082.db2.gz UBGPGZYPEDTWAB-MELADBBJSA-N 2 1 351.451 -0.589 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)C1=O ZINC001076361642 679630141 /nfs/dbraw/zinc/63/01/41/679630141.db2.gz FIKUGQCOOAVAMB-ARFHVFGLSA-N 2 1 350.463 -0.528 20 0 FBADMP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)C1=O ZINC001076361642 679630138 /nfs/dbraw/zinc/63/01/38/679630138.db2.gz FIKUGQCOOAVAMB-ARFHVFGLSA-N 2 1 350.463 -0.528 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076365939 836545495 /nfs/dbraw/zinc/54/54/95/836545495.db2.gz VMURDWRXPBMBCK-ARFHVFGLSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076365939 836545487 /nfs/dbraw/zinc/54/54/87/836545487.db2.gz VMURDWRXPBMBCK-ARFHVFGLSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076365940 679630010 /nfs/dbraw/zinc/63/00/10/679630010.db2.gz VMURDWRXPBMBCK-HRCADAONSA-N 2 1 350.463 -0.480 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076365940 679630008 /nfs/dbraw/zinc/63/00/08/679630008.db2.gz VMURDWRXPBMBCK-HRCADAONSA-N 2 1 350.463 -0.480 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407350 836547765 /nfs/dbraw/zinc/54/77/65/836547765.db2.gz ADZPKUIYEHQNRJ-GOEBONIOSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407350 836547760 /nfs/dbraw/zinc/54/77/60/836547760.db2.gz ADZPKUIYEHQNRJ-GOEBONIOSA-N 2 1 352.479 -0.282 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407553 836547648 /nfs/dbraw/zinc/54/76/48/836547648.db2.gz KJIZVRXKSNXLAX-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407553 836547646 /nfs/dbraw/zinc/54/76/46/836547646.db2.gz KJIZVRXKSNXLAX-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407554 836547946 /nfs/dbraw/zinc/54/79/46/836547946.db2.gz KJIZVRXKSNXLAX-OFQRWUPVSA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407554 836547943 /nfs/dbraw/zinc/54/79/43/836547943.db2.gz KJIZVRXKSNXLAX-OFQRWUPVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407656 836547089 /nfs/dbraw/zinc/54/70/89/836547089.db2.gz PEVBFXONPBODDI-CWRNSKLLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407657 836547934 /nfs/dbraw/zinc/54/79/34/836547934.db2.gz PEVBFXONPBODDI-NUEKZKHPSA-N 2 1 350.463 -0.482 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407661 836547627 /nfs/dbraw/zinc/54/76/27/836547627.db2.gz PTLORZVKMZDVQY-CWRNSKLLSA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407662 836547492 /nfs/dbraw/zinc/54/74/92/836547492.db2.gz PTLORZVKMZDVQY-NUEKZKHPSA-N 2 1 352.479 -0.106 20 0 FBADMP Cn1cncc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076462319 836549261 /nfs/dbraw/zinc/54/92/61/836549261.db2.gz PQELGNHWJHAJGN-IJEWVQPXSA-N 2 1 366.487 -0.070 20 0 FBADMP Cn1cncc1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076462319 836549257 /nfs/dbraw/zinc/54/92/57/836549257.db2.gz PQELGNHWJHAJGN-IJEWVQPXSA-N 2 1 366.487 -0.070 20 0 FBADMP Cn1cncc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076462320 836548900 /nfs/dbraw/zinc/54/89/00/836548900.db2.gz PQELGNHWJHAJGN-OFQRWUPVSA-N 2 1 366.487 -0.070 20 0 FBADMP Cn1cncc1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076462320 836548894 /nfs/dbraw/zinc/54/88/94/836548894.db2.gz PQELGNHWJHAJGN-OFQRWUPVSA-N 2 1 366.487 -0.070 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567626 836555051 /nfs/dbraw/zinc/55/50/51/836555051.db2.gz CIWHJJYMOHTSRO-ARFHVFGLSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567626 836555044 /nfs/dbraw/zinc/55/50/44/836555044.db2.gz CIWHJJYMOHTSRO-ARFHVFGLSA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567626 836555036 /nfs/dbraw/zinc/55/50/36/836555036.db2.gz CIWHJJYMOHTSRO-ARFHVFGLSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567627 836555097 /nfs/dbraw/zinc/55/50/97/836555097.db2.gz CIWHJJYMOHTSRO-HRCADAONSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567627 836555088 /nfs/dbraw/zinc/55/50/88/836555088.db2.gz CIWHJJYMOHTSRO-HRCADAONSA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567627 836555083 /nfs/dbraw/zinc/55/50/83/836555083.db2.gz CIWHJJYMOHTSRO-HRCADAONSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568043 836555480 /nfs/dbraw/zinc/55/54/80/836555480.db2.gz RVRYLBQUPJHEAG-ARFHVFGLSA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568043 836555474 /nfs/dbraw/zinc/55/54/74/836555474.db2.gz RVRYLBQUPJHEAG-ARFHVFGLSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568043 836555468 /nfs/dbraw/zinc/55/54/68/836555468.db2.gz RVRYLBQUPJHEAG-ARFHVFGLSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568043 836555461 /nfs/dbraw/zinc/55/54/61/836555461.db2.gz RVRYLBQUPJHEAG-ARFHVFGLSA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568044 836554527 /nfs/dbraw/zinc/55/45/27/836554527.db2.gz RVRYLBQUPJHEAG-HRCADAONSA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568044 836554523 /nfs/dbraw/zinc/55/45/23/836554523.db2.gz RVRYLBQUPJHEAG-HRCADAONSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568044 836554516 /nfs/dbraw/zinc/55/45/16/836554516.db2.gz RVRYLBQUPJHEAG-HRCADAONSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001076568044 836554510 /nfs/dbraw/zinc/55/45/10/836554510.db2.gz RVRYLBQUPJHEAG-HRCADAONSA-N 2 1 350.463 -0.670 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001076574286 836555206 /nfs/dbraw/zinc/55/52/06/836555206.db2.gz CUWIUJNZFUITHD-JKSUJKDBSA-N 2 1 370.519 -0.350 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001076574286 836555200 /nfs/dbraw/zinc/55/52/00/836555200.db2.gz CUWIUJNZFUITHD-JKSUJKDBSA-N 2 1 370.519 -0.350 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001076574573 836555012 /nfs/dbraw/zinc/55/50/12/836555012.db2.gz JUBRNIDSDGOXOS-JKSUJKDBSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001076574573 836555007 /nfs/dbraw/zinc/55/50/07/836555007.db2.gz JUBRNIDSDGOXOS-JKSUJKDBSA-N 2 1 350.463 -0.526 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003169 836653406 /nfs/dbraw/zinc/65/34/06/836653406.db2.gz WYCPLXADYOFODY-ARFHVFGLSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003169 836653397 /nfs/dbraw/zinc/65/33/97/836653397.db2.gz WYCPLXADYOFODY-ARFHVFGLSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003170 836652781 /nfs/dbraw/zinc/65/27/81/836652781.db2.gz WYCPLXADYOFODY-BZUAXINKSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003170 836652775 /nfs/dbraw/zinc/65/27/75/836652775.db2.gz WYCPLXADYOFODY-BZUAXINKSA-N 2 1 350.463 -0.888 20 0 FBADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001077014156 836656767 /nfs/dbraw/zinc/65/67/67/836656767.db2.gz GMEHKLAHCHMRBE-FVQBIDKESA-N 2 1 353.467 -0.355 20 0 FBADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001077014157 836656838 /nfs/dbraw/zinc/65/68/38/836656838.db2.gz GMEHKLAHCHMRBE-NUEKZKHPSA-N 2 1 353.467 -0.355 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077014194 836656671 /nfs/dbraw/zinc/65/66/71/836656671.db2.gz IFFZCEWADPMGLS-FVQBIDKESA-N 2 1 351.451 -0.744 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077014195 836656232 /nfs/dbraw/zinc/65/62/32/836656232.db2.gz IFFZCEWADPMGLS-NUEKZKHPSA-N 2 1 351.451 -0.744 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077015121 836655873 /nfs/dbraw/zinc/65/58/73/836655873.db2.gz CMZLWAZXHDWUEO-VQHPVUNQSA-N 2 1 355.479 -0.723 20 0 FBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015308 836655702 /nfs/dbraw/zinc/65/57/02/836655702.db2.gz NJVYJMOJBILUAM-VQHPVUNQSA-N 2 1 355.479 -0.459 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023698 836660366 /nfs/dbraw/zinc/66/03/66/836660366.db2.gz OKTHKWNLVGLRFC-RAEVTNRLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023698 836660361 /nfs/dbraw/zinc/66/03/61/836660361.db2.gz OKTHKWNLVGLRFC-RAEVTNRLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001077023698 836660357 /nfs/dbraw/zinc/66/03/57/836660357.db2.gz OKTHKWNLVGLRFC-RAEVTNRLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001077023698 836660351 /nfs/dbraw/zinc/66/03/51/836660351.db2.gz OKTHKWNLVGLRFC-RAEVTNRLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023897 836660788 /nfs/dbraw/zinc/66/07/88/836660788.db2.gz ZHJCDJOINLAQFY-NMFUWQPSSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023897 836660783 /nfs/dbraw/zinc/66/07/83/836660783.db2.gz ZHJCDJOINLAQFY-NMFUWQPSSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001077023897 836660779 /nfs/dbraw/zinc/66/07/79/836660779.db2.gz ZHJCDJOINLAQFY-NMFUWQPSSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001077023897 836660774 /nfs/dbraw/zinc/66/07/74/836660774.db2.gz ZHJCDJOINLAQFY-NMFUWQPSSA-N 2 1 351.451 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077024528 836658027 /nfs/dbraw/zinc/65/80/27/836658027.db2.gz BNBZNNYTJNDHBB-KLHDSHLOSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077024528 836658022 /nfs/dbraw/zinc/65/80/22/836658022.db2.gz BNBZNNYTJNDHBB-KLHDSHLOSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077024528 836658018 /nfs/dbraw/zinc/65/80/18/836658018.db2.gz BNBZNNYTJNDHBB-KLHDSHLOSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077029103 836659247 /nfs/dbraw/zinc/65/92/47/836659247.db2.gz RWMAWTZEUAVFGA-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077029103 836659236 /nfs/dbraw/zinc/65/92/36/836659236.db2.gz RWMAWTZEUAVFGA-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077029103 836659230 /nfs/dbraw/zinc/65/92/30/836659230.db2.gz RWMAWTZEUAVFGA-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077029103 836659225 /nfs/dbraw/zinc/65/92/25/836659225.db2.gz RWMAWTZEUAVFGA-ZJIFWQFVSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128141 836689473 /nfs/dbraw/zinc/68/94/73/836689473.db2.gz YVNRXPSHZNKWQD-ARFHVFGLSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128141 836689469 /nfs/dbraw/zinc/68/94/69/836689469.db2.gz YVNRXPSHZNKWQD-ARFHVFGLSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128141 836689466 /nfs/dbraw/zinc/68/94/66/836689466.db2.gz YVNRXPSHZNKWQD-ARFHVFGLSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128141 836689460 /nfs/dbraw/zinc/68/94/60/836689460.db2.gz YVNRXPSHZNKWQD-ARFHVFGLSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128142 836689267 /nfs/dbraw/zinc/68/92/67/836689267.db2.gz YVNRXPSHZNKWQD-BZUAXINKSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128142 836689261 /nfs/dbraw/zinc/68/92/61/836689261.db2.gz YVNRXPSHZNKWQD-BZUAXINKSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128142 836689254 /nfs/dbraw/zinc/68/92/54/836689254.db2.gz YVNRXPSHZNKWQD-BZUAXINKSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077128142 836689249 /nfs/dbraw/zinc/68/92/49/836689249.db2.gz YVNRXPSHZNKWQD-BZUAXINKSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077131477 836690777 /nfs/dbraw/zinc/69/07/77/836690777.db2.gz CNNBPNLEDBQSDZ-ARFHVFGLSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077131477 836690774 /nfs/dbraw/zinc/69/07/74/836690774.db2.gz CNNBPNLEDBQSDZ-ARFHVFGLSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077131477 836690772 /nfs/dbraw/zinc/69/07/72/836690772.db2.gz CNNBPNLEDBQSDZ-ARFHVFGLSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077131477 836690770 /nfs/dbraw/zinc/69/07/70/836690770.db2.gz CNNBPNLEDBQSDZ-ARFHVFGLSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077131478 836690663 /nfs/dbraw/zinc/69/06/63/836690663.db2.gz CNNBPNLEDBQSDZ-BZUAXINKSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077131478 836690653 /nfs/dbraw/zinc/69/06/53/836690653.db2.gz CNNBPNLEDBQSDZ-BZUAXINKSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077131478 836690647 /nfs/dbraw/zinc/69/06/47/836690647.db2.gz CNNBPNLEDBQSDZ-BZUAXINKSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077131478 836690637 /nfs/dbraw/zinc/69/06/37/836690637.db2.gz CNNBPNLEDBQSDZ-BZUAXINKSA-N 2 1 350.467 -0.298 20 0 FBADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)COCC[NH+](C)C ZINC001077146150 836694769 /nfs/dbraw/zinc/69/47/69/836694769.db2.gz GWENFEHGLDXBFT-RRFJBIMHSA-N 2 1 358.483 -0.705 20 0 FBADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)COCC[NH+](C)C ZINC001077146150 836694765 /nfs/dbraw/zinc/69/47/65/836694765.db2.gz GWENFEHGLDXBFT-RRFJBIMHSA-N 2 1 358.483 -0.705 20 0 FBADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C12CC[NH+](CC1)C2 ZINC001077146410 836694552 /nfs/dbraw/zinc/69/45/52/836694552.db2.gz PKGPZXQCZNHROX-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C12CC[NH+](CC1)C2 ZINC001077146410 836694544 /nfs/dbraw/zinc/69/45/44/836694544.db2.gz PKGPZXQCZNHROX-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)O1 ZINC001077220371 836722011 /nfs/dbraw/zinc/72/20/11/836722011.db2.gz KLSDQTKBSQBASJ-MWQQHZPXSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)O1 ZINC001077220371 836722002 /nfs/dbraw/zinc/72/20/02/836722002.db2.gz KLSDQTKBSQBASJ-MWQQHZPXSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)O1 ZINC001077220371 836721994 /nfs/dbraw/zinc/72/19/94/836721994.db2.gz KLSDQTKBSQBASJ-MWQQHZPXSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)O1 ZINC001077220371 836721986 /nfs/dbraw/zinc/72/19/86/836721986.db2.gz KLSDQTKBSQBASJ-MWQQHZPXSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077280766 836742575 /nfs/dbraw/zinc/74/25/75/836742575.db2.gz KZBUDFSZGTTYCK-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077280766 836742570 /nfs/dbraw/zinc/74/25/70/836742570.db2.gz KZBUDFSZGTTYCK-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077280766 836742564 /nfs/dbraw/zinc/74/25/64/836742564.db2.gz KZBUDFSZGTTYCK-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077280766 836742555 /nfs/dbraw/zinc/74/25/55/836742555.db2.gz KZBUDFSZGTTYCK-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077280767 836742902 /nfs/dbraw/zinc/74/29/02/836742902.db2.gz KZBUDFSZGTTYCK-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077280767 836742897 /nfs/dbraw/zinc/74/28/97/836742897.db2.gz KZBUDFSZGTTYCK-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077280767 836742890 /nfs/dbraw/zinc/74/28/90/836742890.db2.gz KZBUDFSZGTTYCK-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077280767 836742886 /nfs/dbraw/zinc/74/28/86/836742886.db2.gz KZBUDFSZGTTYCK-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077495809 836957618 /nfs/dbraw/zinc/95/76/18/836957618.db2.gz SDBADBLCFRZYFW-RRFJBIMHSA-N 2 1 358.483 -0.705 20 0 FBADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077495809 836957613 /nfs/dbraw/zinc/95/76/13/836957613.db2.gz SDBADBLCFRZYFW-RRFJBIMHSA-N 2 1 358.483 -0.705 20 0 FBADMP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077507791 836968912 /nfs/dbraw/zinc/96/89/12/836968912.db2.gz XNUMRFMYERBGQQ-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077507791 836968902 /nfs/dbraw/zinc/96/89/02/836968902.db2.gz XNUMRFMYERBGQQ-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151926 /nfs/dbraw/zinc/15/19/26/837151926.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151923 /nfs/dbraw/zinc/15/19/23/837151923.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151921 /nfs/dbraw/zinc/15/19/21/837151921.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151916 /nfs/dbraw/zinc/15/19/16/837151916.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151913 /nfs/dbraw/zinc/15/19/13/837151913.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151542 /nfs/dbraw/zinc/15/15/42/837151542.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151537 /nfs/dbraw/zinc/15/15/37/837151537.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151532 /nfs/dbraw/zinc/15/15/32/837151532.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151527 /nfs/dbraw/zinc/15/15/27/837151527.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151522 /nfs/dbraw/zinc/15/15/22/837151522.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 1 350.467 -0.439 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567089 837182172 /nfs/dbraw/zinc/18/21/72/837182172.db2.gz ZULQONFKPBKQFK-BRWVUGGUSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567089 837182166 /nfs/dbraw/zinc/18/21/66/837182166.db2.gz ZULQONFKPBKQFK-BRWVUGGUSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567089 837182160 /nfs/dbraw/zinc/18/21/60/837182160.db2.gz ZULQONFKPBKQFK-BRWVUGGUSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567089 837182156 /nfs/dbraw/zinc/18/21/56/837182156.db2.gz ZULQONFKPBKQFK-BRWVUGGUSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567090 837181664 /nfs/dbraw/zinc/18/16/64/837181664.db2.gz ZULQONFKPBKQFK-ZACQAIPSSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567090 837181659 /nfs/dbraw/zinc/18/16/59/837181659.db2.gz ZULQONFKPBKQFK-ZACQAIPSSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567090 837181655 /nfs/dbraw/zinc/18/16/55/837181655.db2.gz ZULQONFKPBKQFK-ZACQAIPSSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077567090 837181649 /nfs/dbraw/zinc/18/16/49/837181649.db2.gz ZULQONFKPBKQFK-ZACQAIPSSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077572786 837191783 /nfs/dbraw/zinc/19/17/83/837191783.db2.gz NAIALOKOZMTZMJ-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077572786 837191778 /nfs/dbraw/zinc/19/17/78/837191778.db2.gz NAIALOKOZMTZMJ-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077572786 837191771 /nfs/dbraw/zinc/19/17/71/837191771.db2.gz NAIALOKOZMTZMJ-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077572786 837191766 /nfs/dbraw/zinc/19/17/66/837191766.db2.gz NAIALOKOZMTZMJ-CAOSSQGBSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077618270 837254977 /nfs/dbraw/zinc/25/49/77/837254977.db2.gz DTKLMHZUQDAXBR-HZPDHXFCSA-N 2 1 352.479 -0.498 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077618693 837254613 /nfs/dbraw/zinc/25/46/13/837254613.db2.gz OVSWOEDAGHVLAE-HUUCEWRRSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077618693 837254601 /nfs/dbraw/zinc/25/46/01/837254601.db2.gz OVSWOEDAGHVLAE-HUUCEWRRSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077618795 837254306 /nfs/dbraw/zinc/25/43/06/837254306.db2.gz SWLBYAVHRSBZCV-HZPDHXFCSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077618795 837254299 /nfs/dbraw/zinc/25/42/99/837254299.db2.gz SWLBYAVHRSBZCV-HZPDHXFCSA-N 2 1 350.467 -0.602 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618966 837254112 /nfs/dbraw/zinc/25/41/12/837254112.db2.gz XJOHYUUEKARWDU-FVQBIDKESA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618967 837254795 /nfs/dbraw/zinc/25/47/95/837254795.db2.gz XJOHYUUEKARWDU-NUEKZKHPSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675123 837278134 /nfs/dbraw/zinc/27/81/34/837278134.db2.gz BPFOYBAFYJXKDB-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675123 837278128 /nfs/dbraw/zinc/27/81/28/837278128.db2.gz BPFOYBAFYJXKDB-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675123 837278123 /nfs/dbraw/zinc/27/81/23/837278123.db2.gz BPFOYBAFYJXKDB-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675123 837278116 /nfs/dbraw/zinc/27/81/16/837278116.db2.gz BPFOYBAFYJXKDB-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675124 837278223 /nfs/dbraw/zinc/27/82/23/837278223.db2.gz BPFOYBAFYJXKDB-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675124 837278212 /nfs/dbraw/zinc/27/82/12/837278212.db2.gz BPFOYBAFYJXKDB-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675124 837278201 /nfs/dbraw/zinc/27/82/01/837278201.db2.gz BPFOYBAFYJXKDB-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077675124 837278191 /nfs/dbraw/zinc/27/81/91/837278191.db2.gz BPFOYBAFYJXKDB-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001077679208 837279603 /nfs/dbraw/zinc/27/96/03/837279603.db2.gz KCAMQWJJNCEHMR-BPLDGKMQSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001077679208 837279601 /nfs/dbraw/zinc/27/96/01/837279601.db2.gz KCAMQWJJNCEHMR-BPLDGKMQSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001077679208 837279598 /nfs/dbraw/zinc/27/95/98/837279598.db2.gz KCAMQWJJNCEHMR-BPLDGKMQSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001077679208 837279596 /nfs/dbraw/zinc/27/95/96/837279596.db2.gz KCAMQWJJNCEHMR-BPLDGKMQSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001077679209 837281158 /nfs/dbraw/zinc/28/11/58/837281158.db2.gz KCAMQWJJNCEHMR-NWANDNLSSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001077679209 837281148 /nfs/dbraw/zinc/28/11/48/837281148.db2.gz KCAMQWJJNCEHMR-NWANDNLSSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001077679209 837281137 /nfs/dbraw/zinc/28/11/37/837281137.db2.gz KCAMQWJJNCEHMR-NWANDNLSSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001077679209 837281125 /nfs/dbraw/zinc/28/11/25/837281125.db2.gz KCAMQWJJNCEHMR-NWANDNLSSA-N 2 1 351.451 -0.186 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680437 837283230 /nfs/dbraw/zinc/28/32/30/837283230.db2.gz GPCYFJXOQUYWHG-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680437 837283223 /nfs/dbraw/zinc/28/32/23/837283223.db2.gz GPCYFJXOQUYWHG-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680437 837283216 /nfs/dbraw/zinc/28/32/16/837283216.db2.gz GPCYFJXOQUYWHG-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680437 837283209 /nfs/dbraw/zinc/28/32/09/837283209.db2.gz GPCYFJXOQUYWHG-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680438 837283005 /nfs/dbraw/zinc/28/30/05/837283005.db2.gz GPCYFJXOQUYWHG-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680438 837282995 /nfs/dbraw/zinc/28/29/95/837282995.db2.gz GPCYFJXOQUYWHG-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680438 837282987 /nfs/dbraw/zinc/28/29/87/837282987.db2.gz GPCYFJXOQUYWHG-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680438 837282983 /nfs/dbraw/zinc/28/29/83/837282983.db2.gz GPCYFJXOQUYWHG-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001077778371 837307348 /nfs/dbraw/zinc/30/73/48/837307348.db2.gz GKZNZQOIEDMUBN-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001077778371 837307337 /nfs/dbraw/zinc/30/73/37/837307337.db2.gz GKZNZQOIEDMUBN-BZUAXINKSA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001077778372 837308412 /nfs/dbraw/zinc/30/84/12/837308412.db2.gz GKZNZQOIEDMUBN-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001077778372 837308401 /nfs/dbraw/zinc/30/84/01/837308401.db2.gz GKZNZQOIEDMUBN-OWCLPIDISA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077779598 837307738 /nfs/dbraw/zinc/30/77/38/837307738.db2.gz XOSKEWQIMUUOEJ-HZPDHXFCSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077779598 837307729 /nfs/dbraw/zinc/30/77/29/837307729.db2.gz XOSKEWQIMUUOEJ-HZPDHXFCSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001077818491 837349942 /nfs/dbraw/zinc/34/99/42/837349942.db2.gz YLEYMKGLLFPDDR-ARFHVFGLSA-N 2 1 353.467 -0.355 20 0 FBADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001077818492 837350002 /nfs/dbraw/zinc/35/00/02/837350002.db2.gz YLEYMKGLLFPDDR-BZUAXINKSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001077924059 837392600 /nfs/dbraw/zinc/39/26/00/837392600.db2.gz QOKNJMHHNBDEIB-HZPDHXFCSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001077924059 837392593 /nfs/dbraw/zinc/39/25/93/837392593.db2.gz QOKNJMHHNBDEIB-HZPDHXFCSA-N 2 1 350.467 -0.440 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006007 837430101 /nfs/dbraw/zinc/43/01/01/837430101.db2.gz POADITUJSWUMGJ-ARFHVFGLSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006007 837430094 /nfs/dbraw/zinc/43/00/94/837430094.db2.gz POADITUJSWUMGJ-ARFHVFGLSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006007 837430087 /nfs/dbraw/zinc/43/00/87/837430087.db2.gz POADITUJSWUMGJ-ARFHVFGLSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006007 837430079 /nfs/dbraw/zinc/43/00/79/837430079.db2.gz POADITUJSWUMGJ-ARFHVFGLSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006008 837430255 /nfs/dbraw/zinc/43/02/55/837430255.db2.gz POADITUJSWUMGJ-BZUAXINKSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006008 837430254 /nfs/dbraw/zinc/43/02/54/837430254.db2.gz POADITUJSWUMGJ-BZUAXINKSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006008 837430253 /nfs/dbraw/zinc/43/02/53/837430253.db2.gz POADITUJSWUMGJ-BZUAXINKSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006008 837430251 /nfs/dbraw/zinc/43/02/51/837430251.db2.gz POADITUJSWUMGJ-BZUAXINKSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006181 837429785 /nfs/dbraw/zinc/42/97/85/837429785.db2.gz VFLDKZWXSQMOBL-RBSFLKMASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006181 837429779 /nfs/dbraw/zinc/42/97/79/837429779.db2.gz VFLDKZWXSQMOBL-RBSFLKMASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006181 837429774 /nfs/dbraw/zinc/42/97/74/837429774.db2.gz VFLDKZWXSQMOBL-RBSFLKMASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006181 837429766 /nfs/dbraw/zinc/42/97/66/837429766.db2.gz VFLDKZWXSQMOBL-RBSFLKMASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006182 837429377 /nfs/dbraw/zinc/42/93/77/837429377.db2.gz VFLDKZWXSQMOBL-RRFJBIMHSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006182 837429371 /nfs/dbraw/zinc/42/93/71/837429371.db2.gz VFLDKZWXSQMOBL-RRFJBIMHSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006182 837429361 /nfs/dbraw/zinc/42/93/61/837429361.db2.gz VFLDKZWXSQMOBL-RRFJBIMHSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006182 837429349 /nfs/dbraw/zinc/42/93/49/837429349.db2.gz VFLDKZWXSQMOBL-RRFJBIMHSA-N 2 1 351.451 -0.186 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008746 837431481 /nfs/dbraw/zinc/43/14/81/837431481.db2.gz VHKTZMIEXIGYRB-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008746 837431476 /nfs/dbraw/zinc/43/14/76/837431476.db2.gz VHKTZMIEXIGYRB-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008746 837431470 /nfs/dbraw/zinc/43/14/70/837431470.db2.gz VHKTZMIEXIGYRB-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008747 837431569 /nfs/dbraw/zinc/43/15/69/837431569.db2.gz VHKTZMIEXIGYRB-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008747 837431564 /nfs/dbraw/zinc/43/15/64/837431564.db2.gz VHKTZMIEXIGYRB-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008747 837431559 /nfs/dbraw/zinc/43/15/59/837431559.db2.gz VHKTZMIEXIGYRB-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011776 837431617 /nfs/dbraw/zinc/43/16/17/837431617.db2.gz HDJHRIVRUTVRQK-RBSFLKMASA-N 2 1 350.463 -0.840 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011777 837431201 /nfs/dbraw/zinc/43/12/01/837431201.db2.gz HDJHRIVRUTVRQK-RRFJBIMHSA-N 2 1 350.463 -0.840 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012258 837431390 /nfs/dbraw/zinc/43/13/90/837431390.db2.gz YXWSUCSUYIZZGR-HUUCEWRRSA-N 2 1 350.463 -0.744 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210147 837478659 /nfs/dbraw/zinc/47/86/59/837478659.db2.gz XFTOJRBTHFGADC-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210147 837478650 /nfs/dbraw/zinc/47/86/50/837478650.db2.gz XFTOJRBTHFGADC-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210147 837478644 /nfs/dbraw/zinc/47/86/44/837478644.db2.gz XFTOJRBTHFGADC-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210147 837478642 /nfs/dbraw/zinc/47/86/42/837478642.db2.gz XFTOJRBTHFGADC-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210148 837478393 /nfs/dbraw/zinc/47/83/93/837478393.db2.gz XFTOJRBTHFGADC-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210148 837478386 /nfs/dbraw/zinc/47/83/86/837478386.db2.gz XFTOJRBTHFGADC-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210148 837478383 /nfs/dbraw/zinc/47/83/83/837478383.db2.gz XFTOJRBTHFGADC-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210148 837478379 /nfs/dbraw/zinc/47/83/79/837478379.db2.gz XFTOJRBTHFGADC-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001078405119 837503496 /nfs/dbraw/zinc/50/34/96/837503496.db2.gz FKYUXNOSRCLBGA-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001078405119 837503489 /nfs/dbraw/zinc/50/34/89/837503489.db2.gz FKYUXNOSRCLBGA-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001078405120 837504543 /nfs/dbraw/zinc/50/45/43/837504543.db2.gz FKYUXNOSRCLBGA-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001078405120 837504538 /nfs/dbraw/zinc/50/45/38/837504538.db2.gz FKYUXNOSRCLBGA-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001078405175 837504021 /nfs/dbraw/zinc/50/40/21/837504021.db2.gz GQFHTZMFVNXNEM-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001078405175 837504012 /nfs/dbraw/zinc/50/40/12/837504012.db2.gz GQFHTZMFVNXNEM-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001078405176 837503957 /nfs/dbraw/zinc/50/39/57/837503957.db2.gz GQFHTZMFVNXNEM-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001078405176 837503946 /nfs/dbraw/zinc/50/39/46/837503946.db2.gz GQFHTZMFVNXNEM-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001078405405 837504321 /nfs/dbraw/zinc/50/43/21/837504321.db2.gz MNHGIWMNKKHMTA-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001078405406 837503891 /nfs/dbraw/zinc/50/38/91/837503891.db2.gz MNHGIWMNKKHMTA-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001078405445 837504161 /nfs/dbraw/zinc/50/41/61/837504161.db2.gz NQNSSGAMQCGYJB-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001078405445 837504153 /nfs/dbraw/zinc/50/41/53/837504153.db2.gz NQNSSGAMQCGYJB-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001078405446 837503839 /nfs/dbraw/zinc/50/38/39/837503839.db2.gz NQNSSGAMQCGYJB-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001078405446 837503832 /nfs/dbraw/zinc/50/38/32/837503832.db2.gz NQNSSGAMQCGYJB-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001078405543 837503673 /nfs/dbraw/zinc/50/36/73/837503673.db2.gz QEZXBRHIJAVZFV-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001078405543 837503666 /nfs/dbraw/zinc/50/36/66/837503666.db2.gz QEZXBRHIJAVZFV-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001078405544 837503747 /nfs/dbraw/zinc/50/37/47/837503747.db2.gz QEZXBRHIJAVZFV-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001078405544 837503741 /nfs/dbraw/zinc/50/37/41/837503741.db2.gz QEZXBRHIJAVZFV-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001078405567 837504460 /nfs/dbraw/zinc/50/44/60/837504460.db2.gz RLIVVJKWUJIBGS-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001078405567 837504452 /nfs/dbraw/zinc/50/44/52/837504452.db2.gz RLIVVJKWUJIBGS-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001078405568 837503539 /nfs/dbraw/zinc/50/35/39/837503539.db2.gz RLIVVJKWUJIBGS-MGPQQGTHSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001078405568 837503535 /nfs/dbraw/zinc/50/35/35/837503535.db2.gz RLIVVJKWUJIBGS-MGPQQGTHSA-N 2 1 351.455 -0.743 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227400 837872956 /nfs/dbraw/zinc/87/29/56/837872956.db2.gz RGEOSNGUZMHZFS-RRFJBIMHSA-N 2 1 350.463 -0.495 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227400 837872945 /nfs/dbraw/zinc/87/29/45/837872945.db2.gz RGEOSNGUZMHZFS-RRFJBIMHSA-N 2 1 350.463 -0.495 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227401 837873511 /nfs/dbraw/zinc/87/35/11/837873511.db2.gz RGEOSNGUZMHZFS-SOUVJXGZSA-N 2 1 350.463 -0.495 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227401 837873503 /nfs/dbraw/zinc/87/35/03/837873503.db2.gz RGEOSNGUZMHZFS-SOUVJXGZSA-N 2 1 350.463 -0.495 20 0 FBADMP CC[C@H](C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079248081 837873002 /nfs/dbraw/zinc/87/30/02/837873002.db2.gz HFCYSLUFAPTOFA-RRFJBIMHSA-N 2 1 352.479 -0.249 20 0 FBADMP CC[C@@H](C(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079260630 837874521 /nfs/dbraw/zinc/87/45/21/837874521.db2.gz HFCYSLUFAPTOFA-SOUVJXGZSA-N 2 1 352.479 -0.249 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273471 837873247 /nfs/dbraw/zinc/87/32/47/837873247.db2.gz BYNNDJQWDJDQRM-QLFBSQMISA-N 2 1 350.463 -0.637 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273471 837873242 /nfs/dbraw/zinc/87/32/42/837873242.db2.gz BYNNDJQWDJDQRM-QLFBSQMISA-N 2 1 350.463 -0.637 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273478 837872736 /nfs/dbraw/zinc/87/27/36/837872736.db2.gz BYNNDJQWDJDQRM-SOUVJXGZSA-N 2 1 350.463 -0.637 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273478 837872726 /nfs/dbraw/zinc/87/27/26/837872726.db2.gz BYNNDJQWDJDQRM-SOUVJXGZSA-N 2 1 350.463 -0.637 20 0 FBADMP NC(=O)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273732 837874490 /nfs/dbraw/zinc/87/44/90/837874490.db2.gz NUYNMYODSOGUNT-LSDHHAIUSA-N 2 1 350.463 -0.493 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079489569 837884421 /nfs/dbraw/zinc/88/44/21/837884421.db2.gz GCJCBLMJYZYSJB-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079489569 837884403 /nfs/dbraw/zinc/88/44/03/837884403.db2.gz GCJCBLMJYZYSJB-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489569 837884393 /nfs/dbraw/zinc/88/43/93/837884393.db2.gz GCJCBLMJYZYSJB-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079489570 837885133 /nfs/dbraw/zinc/88/51/33/837885133.db2.gz GCJCBLMJYZYSJB-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079489570 837885117 /nfs/dbraw/zinc/88/51/17/837885117.db2.gz GCJCBLMJYZYSJB-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489570 837885107 /nfs/dbraw/zinc/88/51/07/837885107.db2.gz GCJCBLMJYZYSJB-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717474 837902907 /nfs/dbraw/zinc/90/29/07/837902907.db2.gz KFECVNFSAIMMJB-BPLDGKMQSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717474 837902900 /nfs/dbraw/zinc/90/29/00/837902900.db2.gz KFECVNFSAIMMJB-BPLDGKMQSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717475 837903662 /nfs/dbraw/zinc/90/36/62/837903662.db2.gz KFECVNFSAIMMJB-YUELXQCFSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717475 837903658 /nfs/dbraw/zinc/90/36/58/837903658.db2.gz KFECVNFSAIMMJB-YUELXQCFSA-N 2 1 350.467 -0.241 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717517 837903741 /nfs/dbraw/zinc/90/37/41/837903741.db2.gz LQDVTGQVHQOOFD-UKRRQHHQSA-N 2 1 350.467 -0.417 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717517 837903733 /nfs/dbraw/zinc/90/37/33/837903733.db2.gz LQDVTGQVHQOOFD-UKRRQHHQSA-N 2 1 350.467 -0.417 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717603 837902653 /nfs/dbraw/zinc/90/26/53/837902653.db2.gz QSHWNHHAHBJCBR-UMVBOHGHSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717603 837902648 /nfs/dbraw/zinc/90/26/48/837902648.db2.gz QSHWNHHAHBJCBR-UMVBOHGHSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717604 837902605 /nfs/dbraw/zinc/90/26/05/837902605.db2.gz QSHWNHHAHBJCBR-VNHYZAJKSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717604 837902598 /nfs/dbraw/zinc/90/25/98/837902598.db2.gz QSHWNHHAHBJCBR-VNHYZAJKSA-N 2 1 350.467 -0.371 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717724 837903621 /nfs/dbraw/zinc/90/36/21/837903621.db2.gz YMSUOHNDVGLEAN-MMTVNHQJSA-N 2 1 352.479 -0.345 20 0 FBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717724 837903615 /nfs/dbraw/zinc/90/36/15/837903615.db2.gz YMSUOHNDVGLEAN-MMTVNHQJSA-N 2 1 352.479 -0.345 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723641 837903198 /nfs/dbraw/zinc/90/31/98/837903198.db2.gz CEWYXUNHBUJKFV-AAVRWANBSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723641 837903193 /nfs/dbraw/zinc/90/31/93/837903193.db2.gz CEWYXUNHBUJKFV-AAVRWANBSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723641 837903187 /nfs/dbraw/zinc/90/31/87/837903187.db2.gz CEWYXUNHBUJKFV-AAVRWANBSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724801 837903097 /nfs/dbraw/zinc/90/30/97/837903097.db2.gz FHTVSSWAETZHJV-KBUPBQIOSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724801 837903088 /nfs/dbraw/zinc/90/30/88/837903088.db2.gz FHTVSSWAETZHJV-KBUPBQIOSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724801 837903084 /nfs/dbraw/zinc/90/30/84/837903084.db2.gz FHTVSSWAETZHJV-KBUPBQIOSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726266 837903057 /nfs/dbraw/zinc/90/30/57/837903057.db2.gz LMQNXZMVTJCNQO-KLHDSHLOSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726266 837903047 /nfs/dbraw/zinc/90/30/47/837903047.db2.gz LMQNXZMVTJCNQO-KLHDSHLOSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726266 837903037 /nfs/dbraw/zinc/90/30/37/837903037.db2.gz LMQNXZMVTJCNQO-KLHDSHLOSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726266 837903026 /nfs/dbraw/zinc/90/30/26/837903026.db2.gz LMQNXZMVTJCNQO-KLHDSHLOSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726360 837903559 /nfs/dbraw/zinc/90/35/59/837903559.db2.gz QNTAPGZJMTWVHH-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726360 837903551 /nfs/dbraw/zinc/90/35/51/837903551.db2.gz QNTAPGZJMTWVHH-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726360 837903546 /nfs/dbraw/zinc/90/35/46/837903546.db2.gz QNTAPGZJMTWVHH-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726360 837903543 /nfs/dbraw/zinc/90/35/43/837903543.db2.gz QNTAPGZJMTWVHH-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079805037 837911353 /nfs/dbraw/zinc/91/13/53/837911353.db2.gz VNAHIBQZNQLPSU-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079805037 837911348 /nfs/dbraw/zinc/91/13/48/837911348.db2.gz VNAHIBQZNQLPSU-GDBMZVCRSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079860027 837915330 /nfs/dbraw/zinc/91/53/30/837915330.db2.gz RRUKCKKOKJVTCW-GDBMZVCRSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951243 837922064 /nfs/dbraw/zinc/92/20/64/837922064.db2.gz BRWGMWFJJHOXNJ-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951243 837922059 /nfs/dbraw/zinc/92/20/59/837922059.db2.gz BRWGMWFJJHOXNJ-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951243 837922052 /nfs/dbraw/zinc/92/20/52/837922052.db2.gz BRWGMWFJJHOXNJ-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951243 837922044 /nfs/dbraw/zinc/92/20/44/837922044.db2.gz BRWGMWFJJHOXNJ-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951560 837921803 /nfs/dbraw/zinc/92/18/03/837921803.db2.gz UCWZLOVPOLTGPC-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951560 837921800 /nfs/dbraw/zinc/92/18/00/837921800.db2.gz UCWZLOVPOLTGPC-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951560 837921795 /nfs/dbraw/zinc/92/17/95/837921795.db2.gz UCWZLOVPOLTGPC-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951560 837921788 /nfs/dbraw/zinc/92/17/88/837921788.db2.gz UCWZLOVPOLTGPC-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080139163 838048259 /nfs/dbraw/zinc/04/82/59/838048259.db2.gz XVCXMECXKGBFBO-GDBMZVCRSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161369 838048560 /nfs/dbraw/zinc/04/85/60/838048560.db2.gz ZBQMXDYPNHMCFR-ILLDSPSKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161369 838048550 /nfs/dbraw/zinc/04/85/50/838048550.db2.gz ZBQMXDYPNHMCFR-ILLDSPSKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161369 838048545 /nfs/dbraw/zinc/04/85/45/838048545.db2.gz ZBQMXDYPNHMCFR-ILLDSPSKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161369 838048537 /nfs/dbraw/zinc/04/85/37/838048537.db2.gz ZBQMXDYPNHMCFR-ILLDSPSKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161370 838049114 /nfs/dbraw/zinc/04/91/14/838049114.db2.gz ZBQMXDYPNHMCFR-PGJZFTLKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161370 838049102 /nfs/dbraw/zinc/04/91/02/838049102.db2.gz ZBQMXDYPNHMCFR-PGJZFTLKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161370 838049084 /nfs/dbraw/zinc/04/90/84/838049084.db2.gz ZBQMXDYPNHMCFR-PGJZFTLKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161370 838049072 /nfs/dbraw/zinc/04/90/72/838049072.db2.gz ZBQMXDYPNHMCFR-PGJZFTLKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001080266039 838054004 /nfs/dbraw/zinc/05/40/04/838054004.db2.gz KVCOXWDKTMICFL-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001080266039 838053992 /nfs/dbraw/zinc/05/39/92/838053992.db2.gz KVCOXWDKTMICFL-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324913 838061466 /nfs/dbraw/zinc/06/14/66/838061466.db2.gz JMGSAGNYRNFNMP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324913 838061453 /nfs/dbraw/zinc/06/14/53/838061453.db2.gz JMGSAGNYRNFNMP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324913 838061441 /nfs/dbraw/zinc/06/14/41/838061441.db2.gz JMGSAGNYRNFNMP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324913 838061432 /nfs/dbraw/zinc/06/14/32/838061432.db2.gz JMGSAGNYRNFNMP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324914 838061199 /nfs/dbraw/zinc/06/11/99/838061199.db2.gz JMGSAGNYRNFNMP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324914 838061194 /nfs/dbraw/zinc/06/11/94/838061194.db2.gz JMGSAGNYRNFNMP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324914 838061180 /nfs/dbraw/zinc/06/11/80/838061180.db2.gz JMGSAGNYRNFNMP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001080324914 838061168 /nfs/dbraw/zinc/06/11/68/838061168.db2.gz JMGSAGNYRNFNMP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382602 838067334 /nfs/dbraw/zinc/06/73/34/838067334.db2.gz UHAOJPMETDAATH-GDBMZVCRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382602 838067322 /nfs/dbraw/zinc/06/73/22/838067322.db2.gz UHAOJPMETDAATH-GDBMZVCRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383596 838066606 /nfs/dbraw/zinc/06/66/06/838066606.db2.gz LWPHSKNGUWBSBY-UKRRQHHQSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383792 838066204 /nfs/dbraw/zinc/06/62/04/838066204.db2.gz XTWKUNQYXLPGAX-TZMCWYRMSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080442748 838071343 /nfs/dbraw/zinc/07/13/43/838071343.db2.gz LINUUAXPJRIKRC-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080442748 838071330 /nfs/dbraw/zinc/07/13/30/838071330.db2.gz LINUUAXPJRIKRC-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442748 838071320 /nfs/dbraw/zinc/07/13/20/838071320.db2.gz LINUUAXPJRIKRC-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080442749 838071244 /nfs/dbraw/zinc/07/12/44/838071244.db2.gz LINUUAXPJRIKRC-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080442749 838071233 /nfs/dbraw/zinc/07/12/33/838071233.db2.gz LINUUAXPJRIKRC-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442749 838071223 /nfs/dbraw/zinc/07/12/23/838071223.db2.gz LINUUAXPJRIKRC-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001080448792 838069517 /nfs/dbraw/zinc/06/95/17/838069517.db2.gz CHJXRDNMOIKXOU-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001080448792 838069506 /nfs/dbraw/zinc/06/95/06/838069506.db2.gz CHJXRDNMOIKXOU-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001080448792 838069500 /nfs/dbraw/zinc/06/95/00/838069500.db2.gz CHJXRDNMOIKXOU-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080448794 838069717 /nfs/dbraw/zinc/06/97/17/838069717.db2.gz CHJXRDNMOIKXOU-RRFJBIMHSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080448794 838069705 /nfs/dbraw/zinc/06/97/05/838069705.db2.gz CHJXRDNMOIKXOU-RRFJBIMHSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080448794 838069690 /nfs/dbraw/zinc/06/96/90/838069690.db2.gz CHJXRDNMOIKXOU-RRFJBIMHSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449084 838070968 /nfs/dbraw/zinc/07/09/68/838070968.db2.gz GSWWEWBPDIOISP-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449084 838070955 /nfs/dbraw/zinc/07/09/55/838070955.db2.gz GSWWEWBPDIOISP-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080449084 838070945 /nfs/dbraw/zinc/07/09/45/838070945.db2.gz GSWWEWBPDIOISP-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080449086 838070307 /nfs/dbraw/zinc/07/03/07/838070307.db2.gz GSWWEWBPDIOISP-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080449086 838070291 /nfs/dbraw/zinc/07/02/91/838070291.db2.gz GSWWEWBPDIOISP-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080449086 838070277 /nfs/dbraw/zinc/07/02/77/838070277.db2.gz GSWWEWBPDIOISP-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456344 838071855 /nfs/dbraw/zinc/07/18/55/838071855.db2.gz ZZHGDIUGEGGXSQ-MCIONIFRSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456344 838071841 /nfs/dbraw/zinc/07/18/41/838071841.db2.gz ZZHGDIUGEGGXSQ-MCIONIFRSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456344 838071824 /nfs/dbraw/zinc/07/18/24/838071824.db2.gz ZZHGDIUGEGGXSQ-MCIONIFRSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456344 838071811 /nfs/dbraw/zinc/07/18/11/838071811.db2.gz ZZHGDIUGEGGXSQ-MCIONIFRSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456345 838071650 /nfs/dbraw/zinc/07/16/50/838071650.db2.gz ZZHGDIUGEGGXSQ-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456345 838071635 /nfs/dbraw/zinc/07/16/35/838071635.db2.gz ZZHGDIUGEGGXSQ-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456345 838071620 /nfs/dbraw/zinc/07/16/20/838071620.db2.gz ZZHGDIUGEGGXSQ-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456345 838071606 /nfs/dbraw/zinc/07/16/06/838071606.db2.gz ZZHGDIUGEGGXSQ-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558776 838078620 /nfs/dbraw/zinc/07/86/20/838078620.db2.gz CVLIDYISVUPDPH-BPLDGKMQSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558777 838078514 /nfs/dbraw/zinc/07/85/14/838078514.db2.gz CVLIDYISVUPDPH-YUELXQCFSA-N 2 1 350.463 -0.040 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593157 838080848 /nfs/dbraw/zinc/08/08/48/838080848.db2.gz LFNLSZYTYXTQNR-UMVBOHGHSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593157 838080839 /nfs/dbraw/zinc/08/08/39/838080839.db2.gz LFNLSZYTYXTQNR-UMVBOHGHSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593158 838080909 /nfs/dbraw/zinc/08/09/09/838080909.db2.gz LFNLSZYTYXTQNR-VNHYZAJKSA-N 2 1 350.467 -0.371 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593158 838080899 /nfs/dbraw/zinc/08/08/99/838080899.db2.gz LFNLSZYTYXTQNR-VNHYZAJKSA-N 2 1 350.467 -0.371 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593260 838081468 /nfs/dbraw/zinc/08/14/68/838081468.db2.gz RIPHRZNTWRBFTD-BPLDGKMQSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593260 838081452 /nfs/dbraw/zinc/08/14/52/838081452.db2.gz RIPHRZNTWRBFTD-BPLDGKMQSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593261 838081002 /nfs/dbraw/zinc/08/10/02/838081002.db2.gz RIPHRZNTWRBFTD-YUELXQCFSA-N 2 1 350.467 -0.241 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593261 838080994 /nfs/dbraw/zinc/08/09/94/838080994.db2.gz RIPHRZNTWRBFTD-YUELXQCFSA-N 2 1 350.467 -0.241 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593301 838080960 /nfs/dbraw/zinc/08/09/60/838080960.db2.gz UDJIVRCLBIDFLV-UKRRQHHQSA-N 2 1 350.467 -0.417 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593301 838080946 /nfs/dbraw/zinc/08/09/46/838080946.db2.gz UDJIVRCLBIDFLV-UKRRQHHQSA-N 2 1 350.467 -0.417 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080780813 838100486 /nfs/dbraw/zinc/10/04/86/838100486.db2.gz DESIYNMZESMAAE-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080780813 838100479 /nfs/dbraw/zinc/10/04/79/838100479.db2.gz DESIYNMZESMAAE-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780813 838100470 /nfs/dbraw/zinc/10/04/70/838100470.db2.gz DESIYNMZESMAAE-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780813 838100462 /nfs/dbraw/zinc/10/04/62/838100462.db2.gz DESIYNMZESMAAE-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080780814 838100243 /nfs/dbraw/zinc/10/02/43/838100243.db2.gz DESIYNMZESMAAE-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080780814 838100238 /nfs/dbraw/zinc/10/02/38/838100238.db2.gz DESIYNMZESMAAE-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780814 838100230 /nfs/dbraw/zinc/10/02/30/838100230.db2.gz DESIYNMZESMAAE-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780814 838100222 /nfs/dbraw/zinc/10/02/22/838100222.db2.gz DESIYNMZESMAAE-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783453 838097483 /nfs/dbraw/zinc/09/74/83/838097483.db2.gz SVIZAASVQYMXGN-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783453 838097471 /nfs/dbraw/zinc/09/74/71/838097471.db2.gz SVIZAASVQYMXGN-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783453 838097455 /nfs/dbraw/zinc/09/74/55/838097455.db2.gz SVIZAASVQYMXGN-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783455 838097164 /nfs/dbraw/zinc/09/71/64/838097164.db2.gz SVIZAASVQYMXGN-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783455 838097159 /nfs/dbraw/zinc/09/71/59/838097159.db2.gz SVIZAASVQYMXGN-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783455 838097148 /nfs/dbraw/zinc/09/71/48/838097148.db2.gz SVIZAASVQYMXGN-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783650 838099201 /nfs/dbraw/zinc/09/92/01/838099201.db2.gz YXZUUIIILCEZMW-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783650 838099185 /nfs/dbraw/zinc/09/91/85/838099185.db2.gz YXZUUIIILCEZMW-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783650 838099175 /nfs/dbraw/zinc/09/91/75/838099175.db2.gz YXZUUIIILCEZMW-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783651 838098537 /nfs/dbraw/zinc/09/85/37/838098537.db2.gz YXZUUIIILCEZMW-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783651 838098526 /nfs/dbraw/zinc/09/85/26/838098526.db2.gz YXZUUIIILCEZMW-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783651 838098514 /nfs/dbraw/zinc/09/85/14/838098514.db2.gz YXZUUIIILCEZMW-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787484 838101988 /nfs/dbraw/zinc/10/19/88/838101988.db2.gz BQRJYVCHQZKAOC-HUUCEWRRSA-N 2 1 370.519 -0.446 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787484 838101983 /nfs/dbraw/zinc/10/19/83/838101983.db2.gz BQRJYVCHQZKAOC-HUUCEWRRSA-N 2 1 370.519 -0.446 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787803 838102104 /nfs/dbraw/zinc/10/21/04/838102104.db2.gz TVDLRJVCLUQHBU-HUUCEWRRSA-N 2 1 350.463 -0.623 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787803 838102099 /nfs/dbraw/zinc/10/20/99/838102099.db2.gz TVDLRJVCLUQHBU-HUUCEWRRSA-N 2 1 350.463 -0.623 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787872 838102143 /nfs/dbraw/zinc/10/21/43/838102143.db2.gz WEBLXMBQHKDDMX-QLFBSQMISA-N 2 1 355.504 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787872 838102140 /nfs/dbraw/zinc/10/21/40/838102140.db2.gz WEBLXMBQHKDDMX-QLFBSQMISA-N 2 1 355.504 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787873 838102023 /nfs/dbraw/zinc/10/20/23/838102023.db2.gz WEBLXMBQHKDDMX-RBSFLKMASA-N 2 1 355.504 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787873 838102018 /nfs/dbraw/zinc/10/20/18/838102018.db2.gz WEBLXMBQHKDDMX-RBSFLKMASA-N 2 1 355.504 -0.047 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080877723 838109177 /nfs/dbraw/zinc/10/91/77/838109177.db2.gz JWYNALWUMUQFRD-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935351 838118036 /nfs/dbraw/zinc/11/80/36/838118036.db2.gz QUVCEUOURQPJQG-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935351 838118029 /nfs/dbraw/zinc/11/80/29/838118029.db2.gz QUVCEUOURQPJQG-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935351 838118023 /nfs/dbraw/zinc/11/80/23/838118023.db2.gz QUVCEUOURQPJQG-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935351 838118017 /nfs/dbraw/zinc/11/80/17/838118017.db2.gz QUVCEUOURQPJQG-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935352 838118485 /nfs/dbraw/zinc/11/84/85/838118485.db2.gz QUVCEUOURQPJQG-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935352 838118481 /nfs/dbraw/zinc/11/84/81/838118481.db2.gz QUVCEUOURQPJQG-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935352 838118478 /nfs/dbraw/zinc/11/84/78/838118478.db2.gz QUVCEUOURQPJQG-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935352 838118473 /nfs/dbraw/zinc/11/84/73/838118473.db2.gz QUVCEUOURQPJQG-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935525 838118001 /nfs/dbraw/zinc/11/80/01/838118001.db2.gz XWSKGUYSQAPDQV-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935525 838117998 /nfs/dbraw/zinc/11/79/98/838117998.db2.gz XWSKGUYSQAPDQV-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935525 838117995 /nfs/dbraw/zinc/11/79/95/838117995.db2.gz XWSKGUYSQAPDQV-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935525 838117989 /nfs/dbraw/zinc/11/79/89/838117989.db2.gz XWSKGUYSQAPDQV-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935526 838118580 /nfs/dbraw/zinc/11/85/80/838118580.db2.gz XWSKGUYSQAPDQV-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935526 838118577 /nfs/dbraw/zinc/11/85/77/838118577.db2.gz XWSKGUYSQAPDQV-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935526 838118573 /nfs/dbraw/zinc/11/85/73/838118573.db2.gz XWSKGUYSQAPDQV-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935526 838118568 /nfs/dbraw/zinc/11/85/68/838118568.db2.gz XWSKGUYSQAPDQV-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080936340 838118753 /nfs/dbraw/zinc/11/87/53/838118753.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080936340 838118747 /nfs/dbraw/zinc/11/87/47/838118747.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936340 838118741 /nfs/dbraw/zinc/11/87/41/838118741.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080936341 838118811 /nfs/dbraw/zinc/11/88/11/838118811.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080936341 838118804 /nfs/dbraw/zinc/11/88/04/838118804.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936341 838118799 /nfs/dbraw/zinc/11/87/99/838118799.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080939797 838118653 /nfs/dbraw/zinc/11/86/53/838118653.db2.gz KIESKMFHHSZYBJ-ZIAGYGMSSA-N 2 1 351.451 -0.539 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942829 838118945 /nfs/dbraw/zinc/11/89/45/838118945.db2.gz BQTJKAKVPUMSJJ-OWCLPIDISA-N 2 1 352.479 -0.498 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976953 838121076 /nfs/dbraw/zinc/12/10/76/838121076.db2.gz POFCWFBAEOLASQ-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976953 838121074 /nfs/dbraw/zinc/12/10/74/838121074.db2.gz POFCWFBAEOLASQ-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976953 838121069 /nfs/dbraw/zinc/12/10/69/838121069.db2.gz POFCWFBAEOLASQ-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976953 838121065 /nfs/dbraw/zinc/12/10/65/838121065.db2.gz POFCWFBAEOLASQ-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976954 838121847 /nfs/dbraw/zinc/12/18/47/838121847.db2.gz POFCWFBAEOLASQ-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976954 838121843 /nfs/dbraw/zinc/12/18/43/838121843.db2.gz POFCWFBAEOLASQ-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976954 838121837 /nfs/dbraw/zinc/12/18/37/838121837.db2.gz POFCWFBAEOLASQ-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976954 838121827 /nfs/dbraw/zinc/12/18/27/838121827.db2.gz POFCWFBAEOLASQ-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977061 838121716 /nfs/dbraw/zinc/12/17/16/838121716.db2.gz UUOYMNLEQYWUEL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977061 838121711 /nfs/dbraw/zinc/12/17/11/838121711.db2.gz UUOYMNLEQYWUEL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977061 838121704 /nfs/dbraw/zinc/12/17/04/838121704.db2.gz UUOYMNLEQYWUEL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977061 838121698 /nfs/dbraw/zinc/12/16/98/838121698.db2.gz UUOYMNLEQYWUEL-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977062 838121763 /nfs/dbraw/zinc/12/17/63/838121763.db2.gz UUOYMNLEQYWUEL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977062 838121757 /nfs/dbraw/zinc/12/17/57/838121757.db2.gz UUOYMNLEQYWUEL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977062 838121747 /nfs/dbraw/zinc/12/17/47/838121747.db2.gz UUOYMNLEQYWUEL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977062 838121739 /nfs/dbraw/zinc/12/17/39/838121739.db2.gz UUOYMNLEQYWUEL-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080989557 838130063 /nfs/dbraw/zinc/13/00/63/838130063.db2.gz ZWRLBXPVXTUGON-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481299 838155341 /nfs/dbraw/zinc/15/53/41/838155341.db2.gz DBBGQENTZNQCJA-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481299 838155334 /nfs/dbraw/zinc/15/53/34/838155334.db2.gz DBBGQENTZNQCJA-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481299 838155331 /nfs/dbraw/zinc/15/53/31/838155331.db2.gz DBBGQENTZNQCJA-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481299 838155326 /nfs/dbraw/zinc/15/53/26/838155326.db2.gz DBBGQENTZNQCJA-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481300 838155029 /nfs/dbraw/zinc/15/50/29/838155029.db2.gz DBBGQENTZNQCJA-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481300 838155018 /nfs/dbraw/zinc/15/50/18/838155018.db2.gz DBBGQENTZNQCJA-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481300 838155013 /nfs/dbraw/zinc/15/50/13/838155013.db2.gz DBBGQENTZNQCJA-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481300 838155006 /nfs/dbraw/zinc/15/50/06/838155006.db2.gz DBBGQENTZNQCJA-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081659297 838177354 /nfs/dbraw/zinc/17/73/54/838177354.db2.gz VGLRIMKSTNIBJI-BZUAXINKSA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081659297 838177350 /nfs/dbraw/zinc/17/73/50/838177350.db2.gz VGLRIMKSTNIBJI-BZUAXINKSA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659297 838177345 /nfs/dbraw/zinc/17/73/45/838177345.db2.gz VGLRIMKSTNIBJI-BZUAXINKSA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659297 838177340 /nfs/dbraw/zinc/17/73/40/838177340.db2.gz VGLRIMKSTNIBJI-BZUAXINKSA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081659298 838176980 /nfs/dbraw/zinc/17/69/80/838176980.db2.gz VGLRIMKSTNIBJI-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081659298 838176969 /nfs/dbraw/zinc/17/69/69/838176969.db2.gz VGLRIMKSTNIBJI-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659298 838176963 /nfs/dbraw/zinc/17/69/63/838176963.db2.gz VGLRIMKSTNIBJI-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659298 838176952 /nfs/dbraw/zinc/17/69/52/838176952.db2.gz VGLRIMKSTNIBJI-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081683975 838181434 /nfs/dbraw/zinc/18/14/34/838181434.db2.gz YYIIRMXGDYIQGQ-VQHPVUNQSA-N 2 1 355.479 -0.459 20 0 FBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686109 838181707 /nfs/dbraw/zinc/18/17/07/838181707.db2.gz GEIRYQZQSUSRMI-FVQBIDKESA-N 2 1 353.467 -0.091 20 0 FBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686110 838181333 /nfs/dbraw/zinc/18/13/33/838181333.db2.gz GEIRYQZQSUSRMI-NUEKZKHPSA-N 2 1 353.467 -0.091 20 0 FBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686136 838181320 /nfs/dbraw/zinc/18/13/20/838181320.db2.gz HNRFDTQLDTVYEL-FVQBIDKESA-N 2 1 353.467 -0.091 20 0 FBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686137 838181538 /nfs/dbraw/zinc/18/15/38/838181538.db2.gz HNRFDTQLDTVYEL-NUEKZKHPSA-N 2 1 353.467 -0.091 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694152 838178584 /nfs/dbraw/zinc/17/85/84/838178584.db2.gz MRYPJYIRWVXZIY-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694152 838178581 /nfs/dbraw/zinc/17/85/81/838178581.db2.gz MRYPJYIRWVXZIY-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694152 838178576 /nfs/dbraw/zinc/17/85/76/838178576.db2.gz MRYPJYIRWVXZIY-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694152 838178573 /nfs/dbraw/zinc/17/85/73/838178573.db2.gz MRYPJYIRWVXZIY-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081695040 838187531 /nfs/dbraw/zinc/18/75/31/838187531.db2.gz ZJJYVTGTFJWSFL-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081695040 838187525 /nfs/dbraw/zinc/18/75/25/838187525.db2.gz ZJJYVTGTFJWSFL-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081695040 838187519 /nfs/dbraw/zinc/18/75/19/838187519.db2.gz ZJJYVTGTFJWSFL-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081695040 838187515 /nfs/dbraw/zinc/18/75/15/838187515.db2.gz ZJJYVTGTFJWSFL-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2OC)CC[NH+]1C ZINC001081699342 838189152 /nfs/dbraw/zinc/18/91/52/838189152.db2.gz QPDOEVHOBYFVST-ZJIFWQFVSA-N 2 1 350.467 -0.176 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2OC)CC[NH+]1C ZINC001081699342 838189144 /nfs/dbraw/zinc/18/91/44/838189144.db2.gz QPDOEVHOBYFVST-ZJIFWQFVSA-N 2 1 350.467 -0.176 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)CC[N@H+]1C ZINC001081699342 838189137 /nfs/dbraw/zinc/18/91/37/838189137.db2.gz QPDOEVHOBYFVST-ZJIFWQFVSA-N 2 1 350.467 -0.176 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699342 838189129 /nfs/dbraw/zinc/18/91/29/838189129.db2.gz QPDOEVHOBYFVST-ZJIFWQFVSA-N 2 1 350.467 -0.176 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001081767204 838196418 /nfs/dbraw/zinc/19/64/18/838196418.db2.gz WYYYZKARGCYHMY-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001081767204 838196412 /nfs/dbraw/zinc/19/64/12/838196412.db2.gz WYYYZKARGCYHMY-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001081767204 838196408 /nfs/dbraw/zinc/19/64/08/838196408.db2.gz WYYYZKARGCYHMY-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001081767204 838196403 /nfs/dbraw/zinc/19/64/03/838196403.db2.gz WYYYZKARGCYHMY-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001081767205 838196331 /nfs/dbraw/zinc/19/63/31/838196331.db2.gz WYYYZKARGCYHMY-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001081767205 838196329 /nfs/dbraw/zinc/19/63/29/838196329.db2.gz WYYYZKARGCYHMY-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001081767205 838196326 /nfs/dbraw/zinc/19/63/26/838196326.db2.gz WYYYZKARGCYHMY-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001081767205 838196322 /nfs/dbraw/zinc/19/63/22/838196322.db2.gz WYYYZKARGCYHMY-OWCLPIDISA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796170 838193566 /nfs/dbraw/zinc/19/35/66/838193566.db2.gz HTUAMUSMFFJVOH-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796170 838193562 /nfs/dbraw/zinc/19/35/62/838193562.db2.gz HTUAMUSMFFJVOH-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796170 838193559 /nfs/dbraw/zinc/19/35/59/838193559.db2.gz HTUAMUSMFFJVOH-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796171 838192795 /nfs/dbraw/zinc/19/27/95/838192795.db2.gz HTUAMUSMFFJVOH-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796171 838192787 /nfs/dbraw/zinc/19/27/87/838192787.db2.gz HTUAMUSMFFJVOH-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796171 838192778 /nfs/dbraw/zinc/19/27/78/838192778.db2.gz HTUAMUSMFFJVOH-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848267 838216187 /nfs/dbraw/zinc/21/61/87/838216187.db2.gz VNKUKAUZADXJDU-MWQQHZPXSA-N 2 1 355.479 -0.053 20 0 FBADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848267 838216181 /nfs/dbraw/zinc/21/61/81/838216181.db2.gz VNKUKAUZADXJDU-MWQQHZPXSA-N 2 1 355.479 -0.053 20 0 FBADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848267 838216170 /nfs/dbraw/zinc/21/61/70/838216170.db2.gz VNKUKAUZADXJDU-MWQQHZPXSA-N 2 1 355.479 -0.053 20 0 FBADMP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848267 838216161 /nfs/dbraw/zinc/21/61/61/838216161.db2.gz VNKUKAUZADXJDU-MWQQHZPXSA-N 2 1 355.479 -0.053 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019513 838711756 /nfs/dbraw/zinc/71/17/56/838711756.db2.gz BMSMQKCXSBRSLO-HUUCEWRRSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019513 838711754 /nfs/dbraw/zinc/71/17/54/838711754.db2.gz BMSMQKCXSBRSLO-HUUCEWRRSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066298 838719917 /nfs/dbraw/zinc/71/99/17/838719917.db2.gz JZBYXGPMCDMKTH-CAOSSQGBSA-N 2 1 350.467 -0.176 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066298 838719908 /nfs/dbraw/zinc/71/99/08/838719908.db2.gz JZBYXGPMCDMKTH-CAOSSQGBSA-N 2 1 350.467 -0.176 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066298 838719902 /nfs/dbraw/zinc/71/99/02/838719902.db2.gz JZBYXGPMCDMKTH-CAOSSQGBSA-N 2 1 350.467 -0.176 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066298 838719893 /nfs/dbraw/zinc/71/98/93/838719893.db2.gz JZBYXGPMCDMKTH-CAOSSQGBSA-N 2 1 350.467 -0.176 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095745 838722178 /nfs/dbraw/zinc/72/21/78/838722178.db2.gz GVTMUVMPHURMOD-HUUCEWRRSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095745 838722176 /nfs/dbraw/zinc/72/21/76/838722176.db2.gz GVTMUVMPHURMOD-HUUCEWRRSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095836 838722030 /nfs/dbraw/zinc/72/20/30/838722030.db2.gz LFZWRHRHEFZMEE-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095836 838722028 /nfs/dbraw/zinc/72/20/28/838722028.db2.gz LFZWRHRHEFZMEE-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095837 838722260 /nfs/dbraw/zinc/72/22/60/838722260.db2.gz LFZWRHRHEFZMEE-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095837 838722254 /nfs/dbraw/zinc/72/22/54/838722254.db2.gz LFZWRHRHEFZMEE-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095926 838722358 /nfs/dbraw/zinc/72/23/58/838722358.db2.gz OYLSEEYUDXRWLW-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095926 838722349 /nfs/dbraw/zinc/72/23/49/838722349.db2.gz OYLSEEYUDXRWLW-HZPDHXFCSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201146 838740234 /nfs/dbraw/zinc/74/02/34/838740234.db2.gz MHQLPQOOXBFYTO-HZPDHXFCSA-N 2 1 350.467 -0.175 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201146 838740226 /nfs/dbraw/zinc/74/02/26/838740226.db2.gz MHQLPQOOXBFYTO-HZPDHXFCSA-N 2 1 350.467 -0.175 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202287 838743027 /nfs/dbraw/zinc/74/30/27/838743027.db2.gz QBCJFKQJGBSCCF-BZUAXINKSA-N 2 1 352.479 -0.188 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202287 838743020 /nfs/dbraw/zinc/74/30/20/838743020.db2.gz QBCJFKQJGBSCCF-BZUAXINKSA-N 2 1 352.479 -0.188 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202288 838742357 /nfs/dbraw/zinc/74/23/57/838742357.db2.gz QBCJFKQJGBSCCF-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202288 838742351 /nfs/dbraw/zinc/74/23/51/838742351.db2.gz QBCJFKQJGBSCCF-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222099 838744792 /nfs/dbraw/zinc/74/47/92/838744792.db2.gz GKUMGSPTLXEFML-FVQBIDKESA-N 2 1 353.467 -0.091 20 0 FBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222100 838745173 /nfs/dbraw/zinc/74/51/73/838745173.db2.gz GKUMGSPTLXEFML-NUEKZKHPSA-N 2 1 353.467 -0.091 20 0 FBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223481 838745321 /nfs/dbraw/zinc/74/53/21/838745321.db2.gz YYJXQSTXYSEZKZ-FVQBIDKESA-N 2 1 353.467 -0.091 20 0 FBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223482 838745516 /nfs/dbraw/zinc/74/55/16/838745516.db2.gz YYJXQSTXYSEZKZ-NUEKZKHPSA-N 2 1 353.467 -0.091 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326384 838769770 /nfs/dbraw/zinc/76/97/70/838769770.db2.gz AXLODQRHUAZOFN-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326384 838769765 /nfs/dbraw/zinc/76/97/65/838769765.db2.gz AXLODQRHUAZOFN-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326384 838769758 /nfs/dbraw/zinc/76/97/58/838769758.db2.gz AXLODQRHUAZOFN-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326384 838769749 /nfs/dbraw/zinc/76/97/49/838769749.db2.gz AXLODQRHUAZOFN-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326385 838769980 /nfs/dbraw/zinc/76/99/80/838769980.db2.gz AXLODQRHUAZOFN-RRFJBIMHSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326385 838769971 /nfs/dbraw/zinc/76/99/71/838769971.db2.gz AXLODQRHUAZOFN-RRFJBIMHSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326385 838769968 /nfs/dbraw/zinc/76/99/68/838769968.db2.gz AXLODQRHUAZOFN-RRFJBIMHSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326385 838769961 /nfs/dbraw/zinc/76/99/61/838769961.db2.gz AXLODQRHUAZOFN-RRFJBIMHSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326882 838769389 /nfs/dbraw/zinc/76/93/89/838769389.db2.gz UAKAMPQFXOKAQU-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326882 838769385 /nfs/dbraw/zinc/76/93/85/838769385.db2.gz UAKAMPQFXOKAQU-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326882 838769375 /nfs/dbraw/zinc/76/93/75/838769375.db2.gz UAKAMPQFXOKAQU-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326882 838769371 /nfs/dbraw/zinc/76/93/71/838769371.db2.gz UAKAMPQFXOKAQU-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326883 838769344 /nfs/dbraw/zinc/76/93/44/838769344.db2.gz UAKAMPQFXOKAQU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326883 838769337 /nfs/dbraw/zinc/76/93/37/838769337.db2.gz UAKAMPQFXOKAQU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326883 838769333 /nfs/dbraw/zinc/76/93/33/838769333.db2.gz UAKAMPQFXOKAQU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326883 838769325 /nfs/dbraw/zinc/76/93/25/838769325.db2.gz UAKAMPQFXOKAQU-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328534 838764276 /nfs/dbraw/zinc/76/42/76/838764276.db2.gz YWHCGFBROSMVFP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328534 838764272 /nfs/dbraw/zinc/76/42/72/838764272.db2.gz YWHCGFBROSMVFP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328535 838764053 /nfs/dbraw/zinc/76/40/53/838764053.db2.gz YWHCGFBROSMVFP-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328535 838764047 /nfs/dbraw/zinc/76/40/47/838764047.db2.gz YWHCGFBROSMVFP-RBSFLKMASA-N 2 1 350.463 -0.482 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328566 838763799 /nfs/dbraw/zinc/76/37/99/838763799.db2.gz AAIUHPKMNJANFN-HUUCEWRRSA-N 2 1 350.463 -0.480 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328566 838763789 /nfs/dbraw/zinc/76/37/89/838763789.db2.gz AAIUHPKMNJANFN-HUUCEWRRSA-N 2 1 350.463 -0.480 20 0 FBADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368749 838780125 /nfs/dbraw/zinc/78/01/25/838780125.db2.gz MAMSVIQNAAQFEA-ARFHVFGLSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368749 838780119 /nfs/dbraw/zinc/78/01/19/838780119.db2.gz MAMSVIQNAAQFEA-ARFHVFGLSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368749 838780111 /nfs/dbraw/zinc/78/01/11/838780111.db2.gz MAMSVIQNAAQFEA-ARFHVFGLSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368749 838780101 /nfs/dbraw/zinc/78/01/01/838780101.db2.gz MAMSVIQNAAQFEA-ARFHVFGLSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368750 838780907 /nfs/dbraw/zinc/78/09/07/838780907.db2.gz MAMSVIQNAAQFEA-BZUAXINKSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368750 838780901 /nfs/dbraw/zinc/78/09/01/838780901.db2.gz MAMSVIQNAAQFEA-BZUAXINKSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368750 838780898 /nfs/dbraw/zinc/78/08/98/838780898.db2.gz MAMSVIQNAAQFEA-BZUAXINKSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368750 838780893 /nfs/dbraw/zinc/78/08/93/838780893.db2.gz MAMSVIQNAAQFEA-BZUAXINKSA-N 2 1 350.467 -0.338 20 0 FBADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369179 838782907 /nfs/dbraw/zinc/78/29/07/838782907.db2.gz BPUVGIYJRNAJLG-RBSFLKMASA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369179 838782900 /nfs/dbraw/zinc/78/29/00/838782900.db2.gz BPUVGIYJRNAJLG-RBSFLKMASA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369179 838782893 /nfs/dbraw/zinc/78/28/93/838782893.db2.gz BPUVGIYJRNAJLG-RBSFLKMASA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369179 838782886 /nfs/dbraw/zinc/78/28/86/838782886.db2.gz BPUVGIYJRNAJLG-RBSFLKMASA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369180 838782261 /nfs/dbraw/zinc/78/22/61/838782261.db2.gz BPUVGIYJRNAJLG-RRFJBIMHSA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369180 838782254 /nfs/dbraw/zinc/78/22/54/838782254.db2.gz BPUVGIYJRNAJLG-RRFJBIMHSA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369180 838782245 /nfs/dbraw/zinc/78/22/45/838782245.db2.gz BPUVGIYJRNAJLG-RRFJBIMHSA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369180 838782235 /nfs/dbraw/zinc/78/22/35/838782235.db2.gz BPUVGIYJRNAJLG-RRFJBIMHSA-N 2 1 368.503 -0.015 20 0 FBADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369796 838781780 /nfs/dbraw/zinc/78/17/80/838781780.db2.gz CLUOUXCWZXEVNX-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369796 838781774 /nfs/dbraw/zinc/78/17/74/838781774.db2.gz CLUOUXCWZXEVNX-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369796 838781769 /nfs/dbraw/zinc/78/17/69/838781769.db2.gz CLUOUXCWZXEVNX-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369797 838782657 /nfs/dbraw/zinc/78/26/57/838782657.db2.gz CLUOUXCWZXEVNX-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369797 838782652 /nfs/dbraw/zinc/78/26/52/838782652.db2.gz CLUOUXCWZXEVNX-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369797 838782648 /nfs/dbraw/zinc/78/26/48/838782648.db2.gz CLUOUXCWZXEVNX-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370262 838782718 /nfs/dbraw/zinc/78/27/18/838782718.db2.gz ZLBMOEOSNCMGEZ-ARFHVFGLSA-N 2 1 351.451 -0.845 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370262 838782714 /nfs/dbraw/zinc/78/27/14/838782714.db2.gz ZLBMOEOSNCMGEZ-ARFHVFGLSA-N 2 1 351.451 -0.845 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370263 838782756 /nfs/dbraw/zinc/78/27/56/838782756.db2.gz ZLBMOEOSNCMGEZ-BZUAXINKSA-N 2 1 351.451 -0.845 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370263 838782752 /nfs/dbraw/zinc/78/27/52/838782752.db2.gz ZLBMOEOSNCMGEZ-BZUAXINKSA-N 2 1 351.451 -0.845 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371191 838781968 /nfs/dbraw/zinc/78/19/68/838781968.db2.gz WSPWPTIIKPXIPJ-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371191 838781957 /nfs/dbraw/zinc/78/19/57/838781957.db2.gz WSPWPTIIKPXIPJ-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371192 838782581 /nfs/dbraw/zinc/78/25/81/838782581.db2.gz WSPWPTIIKPXIPJ-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371192 838782574 /nfs/dbraw/zinc/78/25/74/838782574.db2.gz WSPWPTIIKPXIPJ-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377536 838786746 /nfs/dbraw/zinc/78/67/46/838786746.db2.gz UJMHZUZOOGICSB-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377536 838786742 /nfs/dbraw/zinc/78/67/42/838786742.db2.gz UJMHZUZOOGICSB-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377536 838786735 /nfs/dbraw/zinc/78/67/35/838786735.db2.gz UJMHZUZOOGICSB-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377536 838786729 /nfs/dbraw/zinc/78/67/29/838786729.db2.gz UJMHZUZOOGICSB-BRWVUGGUSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377537 838786987 /nfs/dbraw/zinc/78/69/87/838786987.db2.gz UJMHZUZOOGICSB-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377537 838786977 /nfs/dbraw/zinc/78/69/77/838786977.db2.gz UJMHZUZOOGICSB-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377537 838786974 /nfs/dbraw/zinc/78/69/74/838786974.db2.gz UJMHZUZOOGICSB-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)C1 ZINC001082377537 838786967 /nfs/dbraw/zinc/78/69/67/838786967.db2.gz UJMHZUZOOGICSB-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082448679 838807092 /nfs/dbraw/zinc/80/70/92/838807092.db2.gz YSTOOCNNYKZBKZ-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082448680 838806787 /nfs/dbraw/zinc/80/67/87/838806787.db2.gz YSTOOCNNYKZBKZ-RBSFLKMASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082457723 838808273 /nfs/dbraw/zinc/80/82/73/838808273.db2.gz BGNDMPXPMWGJBF-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082457723 838808267 /nfs/dbraw/zinc/80/82/67/838808267.db2.gz BGNDMPXPMWGJBF-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082457724 838808848 /nfs/dbraw/zinc/80/88/48/838808848.db2.gz BGNDMPXPMWGJBF-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082457724 838808837 /nfs/dbraw/zinc/80/88/37/838808837.db2.gz BGNDMPXPMWGJBF-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458239 838808680 /nfs/dbraw/zinc/80/86/80/838808680.db2.gz DFKZSGTYDYQMBV-DAXOMENPSA-N 2 1 350.467 -0.338 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458239 838808670 /nfs/dbraw/zinc/80/86/70/838808670.db2.gz DFKZSGTYDYQMBV-DAXOMENPSA-N 2 1 350.467 -0.338 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458240 838809079 /nfs/dbraw/zinc/80/90/79/838809079.db2.gz DFKZSGTYDYQMBV-WQVCFCJDSA-N 2 1 350.467 -0.338 20 0 FBADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458240 838809068 /nfs/dbraw/zinc/80/90/68/838809068.db2.gz DFKZSGTYDYQMBV-WQVCFCJDSA-N 2 1 350.467 -0.338 20 0 FBADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458992 838808368 /nfs/dbraw/zinc/80/83/68/838808368.db2.gz DQVODPVWUVOVED-BPLDGKMQSA-N 2 1 368.503 -0.015 20 0 FBADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458992 838808357 /nfs/dbraw/zinc/80/83/57/838808357.db2.gz DQVODPVWUVOVED-BPLDGKMQSA-N 2 1 368.503 -0.015 20 0 FBADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458993 838808430 /nfs/dbraw/zinc/80/84/30/838808430.db2.gz DQVODPVWUVOVED-YUELXQCFSA-N 2 1 368.503 -0.015 20 0 FBADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458993 838808414 /nfs/dbraw/zinc/80/84/14/838808414.db2.gz DQVODPVWUVOVED-YUELXQCFSA-N 2 1 368.503 -0.015 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082507079 838816109 /nfs/dbraw/zinc/81/61/09/838816109.db2.gz AXUSGDMXSIIWAC-MCIONIFRSA-N 2 1 350.467 -0.082 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082507080 838816763 /nfs/dbraw/zinc/81/67/63/838816763.db2.gz AXUSGDMXSIIWAC-MGPQQGTHSA-N 2 1 350.467 -0.082 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082520123 838818669 /nfs/dbraw/zinc/81/86/69/838818669.db2.gz BIKFNDKUGOIBSE-KBUPBQIOSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082520138 838818331 /nfs/dbraw/zinc/81/83/31/838818331.db2.gz CLANVIUOTFKOOU-KLHDSHLOSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082520250 838818094 /nfs/dbraw/zinc/81/80/94/838818094.db2.gz KOZRFYKWPIOZFJ-AAVRWANBSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082521108 838818722 /nfs/dbraw/zinc/81/87/22/838818722.db2.gz NMSZGPQBMADGNZ-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001082522493 838817557 /nfs/dbraw/zinc/81/75/57/838817557.db2.gz LJHIJBCSFABEQF-XJFOESAGSA-N 2 1 350.467 -0.225 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082544851 838822112 /nfs/dbraw/zinc/82/21/12/838822112.db2.gz VIYQADOXRKNLQZ-MCIONIFRSA-N 2 1 350.467 -0.081 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082544852 838822422 /nfs/dbraw/zinc/82/24/22/838822422.db2.gz VIYQADOXRKNLQZ-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082561865 838826162 /nfs/dbraw/zinc/82/61/62/838826162.db2.gz WYVVHDHPSYBFCI-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082562108 838826231 /nfs/dbraw/zinc/82/62/31/838826231.db2.gz OMOIEBWNQPWHCQ-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082570715 838827596 /nfs/dbraw/zinc/82/75/96/838827596.db2.gz WHCWZBLKQKHPBT-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082570716 838826702 /nfs/dbraw/zinc/82/67/02/838826702.db2.gz WHCWZBLKQKHPBT-MGPQQGTHSA-N 2 1 350.467 -0.081 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082589868 838829016 /nfs/dbraw/zinc/82/90/16/838829016.db2.gz RCOIGWUFDPHCQM-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082589868 838829007 /nfs/dbraw/zinc/82/90/07/838829007.db2.gz RCOIGWUFDPHCQM-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082590032 838828902 /nfs/dbraw/zinc/82/89/02/838828902.db2.gz ZDQPCUJHWJZQCH-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082590032 838828890 /nfs/dbraw/zinc/82/88/90/838828890.db2.gz ZDQPCUJHWJZQCH-KLHDSHLOSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082590163 838829381 /nfs/dbraw/zinc/82/93/81/838829381.db2.gz GGFVCKRIXJABOV-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082590163 838829370 /nfs/dbraw/zinc/82/93/70/838829370.db2.gz GGFVCKRIXJABOV-KBUPBQIOSA-N 2 1 353.467 -0.833 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590184 838828467 /nfs/dbraw/zinc/82/84/67/838828467.db2.gz HQNLPZKMEMCNGF-RRCSTGOVSA-N 2 1 350.467 -0.046 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590184 838828458 /nfs/dbraw/zinc/82/84/58/838828458.db2.gz HQNLPZKMEMCNGF-RRCSTGOVSA-N 2 1 350.467 -0.046 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082596440 838832456 /nfs/dbraw/zinc/83/24/56/838832456.db2.gz LNSLDKBNXUBXIP-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082596441 838831740 /nfs/dbraw/zinc/83/17/40/838831740.db2.gz LNSLDKBNXUBXIP-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082596607 838832127 /nfs/dbraw/zinc/83/21/27/838832127.db2.gz ROXJEVPUTDJOLB-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082596608 838832319 /nfs/dbraw/zinc/83/23/19/838832319.db2.gz ROXJEVPUTDJOLB-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001082646301 838842105 /nfs/dbraw/zinc/84/21/05/838842105.db2.gz KNGYTUVWDQZTRZ-UKRRQHHQSA-N 2 1 369.491 -0.336 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082702838 838847204 /nfs/dbraw/zinc/84/72/04/838847204.db2.gz KNMIIQIENRXZQN-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082702838 838847192 /nfs/dbraw/zinc/84/71/92/838847192.db2.gz KNMIIQIENRXZQN-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082702839 838847827 /nfs/dbraw/zinc/84/78/27/838847827.db2.gz KNMIIQIENRXZQN-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082702839 838847815 /nfs/dbraw/zinc/84/78/15/838847815.db2.gz KNMIIQIENRXZQN-OAGGEKHMSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001082702935 838848134 /nfs/dbraw/zinc/84/81/34/838848134.db2.gz PKPIMZQEXVNFAH-BMFZPTHFSA-N 2 1 350.467 -0.139 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001082702935 838848119 /nfs/dbraw/zinc/84/81/19/838848119.db2.gz PKPIMZQEXVNFAH-BMFZPTHFSA-N 2 1 350.467 -0.139 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001082702936 838847327 /nfs/dbraw/zinc/84/73/27/838847327.db2.gz PKPIMZQEXVNFAH-FVQBIDKESA-N 2 1 350.467 -0.139 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001082702936 838847320 /nfs/dbraw/zinc/84/73/20/838847320.db2.gz PKPIMZQEXVNFAH-FVQBIDKESA-N 2 1 350.467 -0.139 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001082703162 838850727 /nfs/dbraw/zinc/85/07/27/838850727.db2.gz AXIQBLFAAKLMGP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001082703162 838850715 /nfs/dbraw/zinc/85/07/15/838850715.db2.gz AXIQBLFAAKLMGP-BZUAXINKSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001082703163 838850577 /nfs/dbraw/zinc/85/05/77/838850577.db2.gz AXIQBLFAAKLMGP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001082703163 838850562 /nfs/dbraw/zinc/85/05/62/838850562.db2.gz AXIQBLFAAKLMGP-OAGGEKHMSA-N 2 1 350.467 -0.176 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082705527 838850390 /nfs/dbraw/zinc/85/03/90/838850390.db2.gz JGURUJJLARHRJW-ZOBORPQBSA-N 2 1 350.467 -0.225 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740830 838854745 /nfs/dbraw/zinc/85/47/45/838854745.db2.gz HTALDOVKACZYRT-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740831 838855338 /nfs/dbraw/zinc/85/53/38/838855338.db2.gz HTALDOVKACZYRT-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741332 838855128 /nfs/dbraw/zinc/85/51/28/838855128.db2.gz XWRSWKFCZMWSJB-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741333 838855810 /nfs/dbraw/zinc/85/58/10/838855810.db2.gz XWRSWKFCZMWSJB-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082742346 838855588 /nfs/dbraw/zinc/85/55/88/838855588.db2.gz BPMDXGMEEJFIDB-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001082742347 838855873 /nfs/dbraw/zinc/85/58/73/838855873.db2.gz BPMDXGMEEJFIDB-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001082742680 838854854 /nfs/dbraw/zinc/85/48/54/838854854.db2.gz OPXYRNBQGYIWSI-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082742681 838855531 /nfs/dbraw/zinc/85/55/31/838855531.db2.gz OPXYRNBQGYIWSI-RRFJBIMHSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082742992 838855301 /nfs/dbraw/zinc/85/53/01/838855301.db2.gz ZXDIOKKWIGGSKT-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001082742993 838855177 /nfs/dbraw/zinc/85/51/77/838855177.db2.gz ZXDIOKKWIGGSKT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082744122 838854974 /nfs/dbraw/zinc/85/49/74/838854974.db2.gz UJDRYKDZTAHBHU-HZSPNIEDSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082744123 838855741 /nfs/dbraw/zinc/85/57/41/838855741.db2.gz UJDRYKDZTAHBHU-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001082807314 838868172 /nfs/dbraw/zinc/86/81/72/838868172.db2.gz ABUSWALAQWLVJG-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001082807315 838867072 /nfs/dbraw/zinc/86/70/72/838867072.db2.gz ABUSWALAQWLVJG-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082807425 838867993 /nfs/dbraw/zinc/86/79/93/838867993.db2.gz HWLVGHIJVRINFP-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082807501 838867553 /nfs/dbraw/zinc/86/75/53/838867553.db2.gz LRNFQPXULVLXSD-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082807721 838867187 /nfs/dbraw/zinc/86/71/87/838867187.db2.gz ZQWCPCBWPXURLW-HUUCEWRRSA-N 2 1 353.467 -0.830 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807768 838867277 /nfs/dbraw/zinc/86/72/77/838867277.db2.gz BYHZIJMGIFEVIX-GDBMZVCRSA-N 2 1 350.467 -0.043 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082808157 838867605 /nfs/dbraw/zinc/86/76/05/838867605.db2.gz XMMMSLVOCHVXGD-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082808158 838867883 /nfs/dbraw/zinc/86/78/83/838867883.db2.gz XMMMSLVOCHVXGD-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082827895 838869316 /nfs/dbraw/zinc/86/93/16/838869316.db2.gz GWPSJUCPJBMYGP-TZMCWYRMSA-N 2 1 351.455 -0.743 20 0 FBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082827933 838869111 /nfs/dbraw/zinc/86/91/11/838869111.db2.gz IHFSTQMJHUBUNE-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082828031 838868701 /nfs/dbraw/zinc/86/87/01/838868701.db2.gz NHEJTVUCJVKTMU-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082828101 838868497 /nfs/dbraw/zinc/86/84/97/838868497.db2.gz ROWYPCYGZXVRRG-CZUORRHYSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082828128 838868983 /nfs/dbraw/zinc/86/89/83/838868983.db2.gz UCDHQIRZKLQMHJ-UKRRQHHQSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082860855 838873633 /nfs/dbraw/zinc/87/36/33/838873633.db2.gz RJDXISUBRJQAGW-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082860856 838872506 /nfs/dbraw/zinc/87/25/06/838872506.db2.gz RJDXISUBRJQAGW-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082861655 838874036 /nfs/dbraw/zinc/87/40/36/838874036.db2.gz KEYPFLJATMGLIW-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082861656 838874722 /nfs/dbraw/zinc/87/47/22/838874722.db2.gz KEYPFLJATMGLIW-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082861723 838874425 /nfs/dbraw/zinc/87/44/25/838874425.db2.gz MNKZMNFVGWPQME-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082861724 838874500 /nfs/dbraw/zinc/87/45/00/838874500.db2.gz MNKZMNFVGWPQME-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082920094 838882348 /nfs/dbraw/zinc/88/23/48/838882348.db2.gz QFZGRMZDFZKTFZ-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082920095 838882297 /nfs/dbraw/zinc/88/22/97/838882297.db2.gz QFZGRMZDFZKTFZ-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001082922706 838884118 /nfs/dbraw/zinc/88/41/18/838884118.db2.gz XBQVIELXPSTHMO-UKRRQHHQSA-N 2 1 369.491 -0.336 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082933712 838889755 /nfs/dbraw/zinc/88/97/55/838889755.db2.gz GRJBZSGUGJGWQU-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082933712 838889745 /nfs/dbraw/zinc/88/97/45/838889745.db2.gz GRJBZSGUGJGWQU-KFWWJZLASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082933713 838889439 /nfs/dbraw/zinc/88/94/39/838889439.db2.gz GRJBZSGUGJGWQU-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082933713 838889427 /nfs/dbraw/zinc/88/94/27/838889427.db2.gz GRJBZSGUGJGWQU-RBSFLKMASA-N 2 1 353.467 -0.831 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082934062 838890253 /nfs/dbraw/zinc/89/02/53/838890253.db2.gz WVOUSWIOHIKQLN-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082934062 838890237 /nfs/dbraw/zinc/89/02/37/838890237.db2.gz WVOUSWIOHIKQLN-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082934063 838890059 /nfs/dbraw/zinc/89/00/59/838890059.db2.gz WVOUSWIOHIKQLN-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082934063 838890050 /nfs/dbraw/zinc/89/00/50/838890050.db2.gz WVOUSWIOHIKQLN-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082934099 838889702 /nfs/dbraw/zinc/88/97/02/838889702.db2.gz YTRMTNACIKGFFP-BMFZPTHFSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082934099 838889695 /nfs/dbraw/zinc/88/96/95/838889695.db2.gz YTRMTNACIKGFFP-BMFZPTHFSA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082934100 838890390 /nfs/dbraw/zinc/89/03/90/838890390.db2.gz YTRMTNACIKGFFP-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082934100 838890380 /nfs/dbraw/zinc/89/03/80/838890380.db2.gz YTRMTNACIKGFFP-FVQBIDKESA-N 2 1 350.467 -0.045 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082934837 838887704 /nfs/dbraw/zinc/88/77/04/838887704.db2.gz ZNNIGPZYENRAEI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082934837 838887687 /nfs/dbraw/zinc/88/76/87/838887687.db2.gz ZNNIGPZYENRAEI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082934838 838887820 /nfs/dbraw/zinc/88/78/20/838887820.db2.gz ZNNIGPZYENRAEI-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082934838 838887812 /nfs/dbraw/zinc/88/78/12/838887812.db2.gz ZNNIGPZYENRAEI-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084829 838938311 /nfs/dbraw/zinc/93/83/11/838938311.db2.gz ISPFWELHZIBXNZ-JKSUJKDBSA-N 2 1 351.451 -0.384 20 0 FBADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084829 838938302 /nfs/dbraw/zinc/93/83/02/838938302.db2.gz ISPFWELHZIBXNZ-JKSUJKDBSA-N 2 1 351.451 -0.384 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084877 838938386 /nfs/dbraw/zinc/93/83/86/838938386.db2.gz KZWYJQBEELEVSF-CWRNSKLLSA-N 2 1 351.451 -0.649 20 0 FBADMP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084877 838938379 /nfs/dbraw/zinc/93/83/79/838938379.db2.gz KZWYJQBEELEVSF-CWRNSKLLSA-N 2 1 351.451 -0.649 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084878 838938556 /nfs/dbraw/zinc/93/85/56/838938556.db2.gz KZWYJQBEELEVSF-VNQPRFMTSA-N 2 1 351.451 -0.649 20 0 FBADMP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084878 838938551 /nfs/dbraw/zinc/93/85/51/838938551.db2.gz KZWYJQBEELEVSF-VNQPRFMTSA-N 2 1 351.451 -0.649 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)n1 ZINC001083085011 838938213 /nfs/dbraw/zinc/93/82/13/838938213.db2.gz TXKFCYDYUMFWHR-JKSUJKDBSA-N 2 1 351.451 -0.648 20 0 FBADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)n1 ZINC001083085011 838938209 /nfs/dbraw/zinc/93/82/09/838938209.db2.gz TXKFCYDYUMFWHR-JKSUJKDBSA-N 2 1 351.451 -0.648 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105942 838945722 /nfs/dbraw/zinc/94/57/22/838945722.db2.gz BDDZBWIEVPFLDA-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105942 838945713 /nfs/dbraw/zinc/94/57/13/838945713.db2.gz BDDZBWIEVPFLDA-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105942 838945698 /nfs/dbraw/zinc/94/56/98/838945698.db2.gz BDDZBWIEVPFLDA-HRCADAONSA-N 2 1 350.463 -0.339 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105943 838946180 /nfs/dbraw/zinc/94/61/80/838946180.db2.gz BDDZBWIEVPFLDA-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105943 838946176 /nfs/dbraw/zinc/94/61/76/838946176.db2.gz BDDZBWIEVPFLDA-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105943 838946173 /nfs/dbraw/zinc/94/61/73/838946173.db2.gz BDDZBWIEVPFLDA-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106497 838946451 /nfs/dbraw/zinc/94/64/51/838946451.db2.gz GQZOKQWAQHKWRR-HRCADAONSA-N 2 1 350.463 -0.387 20 0 FBADMP CN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106497 838946446 /nfs/dbraw/zinc/94/64/46/838946446.db2.gz GQZOKQWAQHKWRR-HRCADAONSA-N 2 1 350.463 -0.387 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106497 838946441 /nfs/dbraw/zinc/94/64/41/838946441.db2.gz GQZOKQWAQHKWRR-HRCADAONSA-N 2 1 350.463 -0.387 20 0 FBADMP CN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106498 838946387 /nfs/dbraw/zinc/94/63/87/838946387.db2.gz GQZOKQWAQHKWRR-OWCLPIDISA-N 2 1 350.463 -0.387 20 0 FBADMP CN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106498 838946379 /nfs/dbraw/zinc/94/63/79/838946379.db2.gz GQZOKQWAQHKWRR-OWCLPIDISA-N 2 1 350.463 -0.387 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106498 838946372 /nfs/dbraw/zinc/94/63/72/838946372.db2.gz GQZOKQWAQHKWRR-OWCLPIDISA-N 2 1 350.463 -0.387 20 0 FBADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083148896 838957092 /nfs/dbraw/zinc/95/70/92/838957092.db2.gz MHPBTTUPBKTZCS-HNCZQISISA-N 2 1 351.447 -0.856 20 0 FBADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083148896 838957087 /nfs/dbraw/zinc/95/70/87/838957087.db2.gz MHPBTTUPBKTZCS-HNCZQISISA-N 2 1 351.447 -0.856 20 0 FBADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083148896 838957083 /nfs/dbraw/zinc/95/70/83/838957083.db2.gz MHPBTTUPBKTZCS-HNCZQISISA-N 2 1 351.447 -0.856 20 0 FBADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083148897 838957322 /nfs/dbraw/zinc/95/73/22/838957322.db2.gz MHPBTTUPBKTZCS-SYGRHNPNSA-N 2 1 351.447 -0.856 20 0 FBADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083148897 838957312 /nfs/dbraw/zinc/95/73/12/838957312.db2.gz MHPBTTUPBKTZCS-SYGRHNPNSA-N 2 1 351.447 -0.856 20 0 FBADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083148897 838957305 /nfs/dbraw/zinc/95/73/05/838957305.db2.gz MHPBTTUPBKTZCS-SYGRHNPNSA-N 2 1 351.447 -0.856 20 0 FBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149046 838957841 /nfs/dbraw/zinc/95/78/41/838957841.db2.gz WDUSSNZWISMMHE-HNCZQISISA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149046 838957838 /nfs/dbraw/zinc/95/78/38/838957838.db2.gz WDUSSNZWISMMHE-HNCZQISISA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149046 838957833 /nfs/dbraw/zinc/95/78/33/838957833.db2.gz WDUSSNZWISMMHE-HNCZQISISA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149046 838957829 /nfs/dbraw/zinc/95/78/29/838957829.db2.gz WDUSSNZWISMMHE-HNCZQISISA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149047 838957901 /nfs/dbraw/zinc/95/79/01/838957901.db2.gz WDUSSNZWISMMHE-SYGRHNPNSA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149047 838957894 /nfs/dbraw/zinc/95/78/94/838957894.db2.gz WDUSSNZWISMMHE-SYGRHNPNSA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149047 838957889 /nfs/dbraw/zinc/95/78/89/838957889.db2.gz WDUSSNZWISMMHE-SYGRHNPNSA-N 2 1 351.447 -0.592 20 0 FBADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149047 838957885 /nfs/dbraw/zinc/95/78/85/838957885.db2.gz WDUSSNZWISMMHE-SYGRHNPNSA-N 2 1 351.447 -0.592 20 0 FBADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001083182820 838970798 /nfs/dbraw/zinc/97/07/98/838970798.db2.gz YYHMJGQNCGHXKP-HRCADAONSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001083182821 838971472 /nfs/dbraw/zinc/97/14/72/838971472.db2.gz YYHMJGQNCGHXKP-OWCLPIDISA-N 2 1 350.463 -0.482 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1=O ZINC001083182996 838970622 /nfs/dbraw/zinc/97/06/22/838970622.db2.gz INLBTHGYHQOGRW-HRCADAONSA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1=O ZINC001083182996 838970616 /nfs/dbraw/zinc/97/06/16/838970616.db2.gz INLBTHGYHQOGRW-HRCADAONSA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1=O ZINC001083182997 838971514 /nfs/dbraw/zinc/97/15/14/838971514.db2.gz INLBTHGYHQOGRW-OWCLPIDISA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1=O ZINC001083182997 838971511 /nfs/dbraw/zinc/97/15/11/838971511.db2.gz INLBTHGYHQOGRW-OWCLPIDISA-N 2 1 350.463 -0.530 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192028 679506182 /nfs/dbraw/zinc/50/61/82/679506182.db2.gz GAGGINRZLHHSOP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192028 679506180 /nfs/dbraw/zinc/50/61/80/679506180.db2.gz GAGGINRZLHHSOP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192028 679506178 /nfs/dbraw/zinc/50/61/78/679506178.db2.gz GAGGINRZLHHSOP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192028 679506175 /nfs/dbraw/zinc/50/61/75/679506175.db2.gz GAGGINRZLHHSOP-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192029 679506354 /nfs/dbraw/zinc/50/63/54/679506354.db2.gz GAGGINRZLHHSOP-SOUVJXGZSA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192029 679506351 /nfs/dbraw/zinc/50/63/51/679506351.db2.gz GAGGINRZLHHSOP-SOUVJXGZSA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192029 679506350 /nfs/dbraw/zinc/50/63/50/679506350.db2.gz GAGGINRZLHHSOP-SOUVJXGZSA-N 2 1 350.463 -0.482 20 0 FBADMP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]32)C1 ZINC001083192029 679506347 /nfs/dbraw/zinc/50/63/47/679506347.db2.gz GAGGINRZLHHSOP-SOUVJXGZSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)CC1 ZINC001083214565 679509017 /nfs/dbraw/zinc/50/90/17/679509017.db2.gz FSFMYGYQHJJUCH-HRCADAONSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)CC1 ZINC001083214565 679509015 /nfs/dbraw/zinc/50/90/15/679509015.db2.gz FSFMYGYQHJJUCH-HRCADAONSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)CC1 ZINC001083214566 679509028 /nfs/dbraw/zinc/50/90/28/679509028.db2.gz FSFMYGYQHJJUCH-OWCLPIDISA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)CC1 ZINC001083214566 679509027 /nfs/dbraw/zinc/50/90/27/679509027.db2.gz FSFMYGYQHJJUCH-OWCLPIDISA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)cn1 ZINC001083221098 679510783 /nfs/dbraw/zinc/51/07/83/679510783.db2.gz KKJDXJSNONUJPT-JKSUJKDBSA-N 2 1 351.451 -0.648 20 0 FBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221158 679510908 /nfs/dbraw/zinc/51/09/08/679510908.db2.gz NQFRVLMJIUVAAI-JKSUJKDBSA-N 2 1 351.451 -0.384 20 0 FBADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221158 679510906 /nfs/dbraw/zinc/51/09/06/679510906.db2.gz NQFRVLMJIUVAAI-JKSUJKDBSA-N 2 1 351.451 -0.384 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221316 679510878 /nfs/dbraw/zinc/51/08/78/679510878.db2.gz VMYHAWHKVGRNSI-CWRNSKLLSA-N 2 1 351.451 -0.649 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221317 679510841 /nfs/dbraw/zinc/51/08/41/679510841.db2.gz VMYHAWHKVGRNSI-VNQPRFMTSA-N 2 1 351.451 -0.649 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083224793 679511772 /nfs/dbraw/zinc/51/17/72/679511772.db2.gz QPPTZMLOXNBQDJ-IXDOHACOSA-N 2 1 353.463 -0.343 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083224793 679511769 /nfs/dbraw/zinc/51/17/69/679511769.db2.gz QPPTZMLOXNBQDJ-IXDOHACOSA-N 2 1 353.463 -0.343 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083224794 679511585 /nfs/dbraw/zinc/51/15/85/679511585.db2.gz QPPTZMLOXNBQDJ-YESZJQIVSA-N 2 1 353.463 -0.343 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083224794 679511579 /nfs/dbraw/zinc/51/15/79/679511579.db2.gz QPPTZMLOXNBQDJ-YESZJQIVSA-N 2 1 353.463 -0.343 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)C1 ZINC001083247945 679515561 /nfs/dbraw/zinc/51/55/61/679515561.db2.gz LDKSXMFLDDLDTO-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)C1 ZINC001083247946 679515688 /nfs/dbraw/zinc/51/56/88/679515688.db2.gz LDKSXMFLDDLDTO-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275362 679521116 /nfs/dbraw/zinc/52/11/16/679521116.db2.gz ZJNLQCBADVUJBI-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275362 679521113 /nfs/dbraw/zinc/52/11/13/679521113.db2.gz ZJNLQCBADVUJBI-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275362 679521110 /nfs/dbraw/zinc/52/11/10/679521110.db2.gz ZJNLQCBADVUJBI-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275362 679521108 /nfs/dbraw/zinc/52/11/08/679521108.db2.gz ZJNLQCBADVUJBI-HRCADAONSA-N 2 1 350.463 -0.528 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275363 679521133 /nfs/dbraw/zinc/52/11/33/679521133.db2.gz ZJNLQCBADVUJBI-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275363 679521131 /nfs/dbraw/zinc/52/11/31/679521131.db2.gz ZJNLQCBADVUJBI-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275363 679521130 /nfs/dbraw/zinc/52/11/30/679521130.db2.gz ZJNLQCBADVUJBI-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)C1 ZINC001083275363 679521126 /nfs/dbraw/zinc/52/11/26/679521126.db2.gz ZJNLQCBADVUJBI-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275467 679521068 /nfs/dbraw/zinc/52/10/68/679521068.db2.gz FSCBEJXZVJKYPA-HRCADAONSA-N 2 1 350.463 -0.385 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275468 679521168 /nfs/dbraw/zinc/52/11/68/679521168.db2.gz FSCBEJXZVJKYPA-OWCLPIDISA-N 2 1 350.463 -0.385 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083284238 679523951 /nfs/dbraw/zinc/52/39/51/679523951.db2.gz YYMGSFUKNNKZHO-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083284238 679523950 /nfs/dbraw/zinc/52/39/50/679523950.db2.gz YYMGSFUKNNKZHO-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083284239 679524102 /nfs/dbraw/zinc/52/41/02/679524102.db2.gz YYMGSFUKNNKZHO-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083284239 679524098 /nfs/dbraw/zinc/52/40/98/679524098.db2.gz YYMGSFUKNNKZHO-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083462728 679594191 /nfs/dbraw/zinc/59/41/91/679594191.db2.gz WYCPLXADYOFODY-OAGGEKHMSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083462728 679594189 /nfs/dbraw/zinc/59/41/89/679594189.db2.gz WYCPLXADYOFODY-OAGGEKHMSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083462729 679594177 /nfs/dbraw/zinc/59/41/77/679594177.db2.gz WYCPLXADYOFODY-XHSDSOJGSA-N 2 1 350.463 -0.888 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083462729 679594173 /nfs/dbraw/zinc/59/41/73/679594173.db2.gz WYCPLXADYOFODY-XHSDSOJGSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083469658 679597832 /nfs/dbraw/zinc/59/78/32/679597832.db2.gz CMZLWAZXHDWUEO-NCOADZHNSA-N 2 1 355.479 -0.723 20 0 FBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469852 679597796 /nfs/dbraw/zinc/59/77/96/679597796.db2.gz NJVYJMOJBILUAM-NCOADZHNSA-N 2 1 355.479 -0.459 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472024 679600006 /nfs/dbraw/zinc/60/00/06/679600006.db2.gz BNBZNNYTJNDHBB-FPCVCCKLSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472024 679600002 /nfs/dbraw/zinc/60/00/02/679600002.db2.gz BNBZNNYTJNDHBB-FPCVCCKLSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083472024 679600000 /nfs/dbraw/zinc/60/00/00/679600000.db2.gz BNBZNNYTJNDHBB-FPCVCCKLSA-N 2 1 352.479 -0.500 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472739 679600485 /nfs/dbraw/zinc/60/04/85/679600485.db2.gz OKTHKWNLVGLRFC-MPESAESLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472739 679600481 /nfs/dbraw/zinc/60/04/81/679600481.db2.gz OKTHKWNLVGLRFC-MPESAESLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472739 679600479 /nfs/dbraw/zinc/60/04/79/679600479.db2.gz OKTHKWNLVGLRFC-MPESAESLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472739 679600477 /nfs/dbraw/zinc/60/04/77/679600477.db2.gz OKTHKWNLVGLRFC-MPESAESLSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472958 679600563 /nfs/dbraw/zinc/60/05/63/679600563.db2.gz ZHJCDJOINLAQFY-NGFQHRJXSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472958 679600559 /nfs/dbraw/zinc/60/05/59/679600559.db2.gz ZHJCDJOINLAQFY-NGFQHRJXSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472958 679600553 /nfs/dbraw/zinc/60/05/53/679600553.db2.gz ZHJCDJOINLAQFY-NGFQHRJXSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472958 679600547 /nfs/dbraw/zinc/60/05/47/679600547.db2.gz ZHJCDJOINLAQFY-NGFQHRJXSA-N 2 1 351.451 -0.188 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474183 679600685 /nfs/dbraw/zinc/60/06/85/679600685.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474183 679600683 /nfs/dbraw/zinc/60/06/83/679600683.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083474183 679600681 /nfs/dbraw/zinc/60/06/81/679600681.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083474183 679600679 /nfs/dbraw/zinc/60/06/79/679600679.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083474183 679600677 /nfs/dbraw/zinc/60/06/77/679600677.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 1 352.479 -0.500 20 0 FBADMP CN(C)Cc1ccsc1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083500904 679607028 /nfs/dbraw/zinc/60/70/28/679607028.db2.gz NGXSZVHWHZLLOY-KGLIPLIRSA-N 2 1 364.475 -0.124 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518997 679613635 /nfs/dbraw/zinc/61/36/35/679613635.db2.gz YVNRXPSHZNKWQD-OAGGEKHMSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518997 679613632 /nfs/dbraw/zinc/61/36/32/679613632.db2.gz YVNRXPSHZNKWQD-OAGGEKHMSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518997 679613631 /nfs/dbraw/zinc/61/36/31/679613631.db2.gz YVNRXPSHZNKWQD-OAGGEKHMSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518997 679613626 /nfs/dbraw/zinc/61/36/26/679613626.db2.gz YVNRXPSHZNKWQD-OAGGEKHMSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518998 679613650 /nfs/dbraw/zinc/61/36/50/679613650.db2.gz YVNRXPSHZNKWQD-XHSDSOJGSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518998 679613648 /nfs/dbraw/zinc/61/36/48/679613648.db2.gz YVNRXPSHZNKWQD-XHSDSOJGSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518998 679613646 /nfs/dbraw/zinc/61/36/46/679613646.db2.gz YVNRXPSHZNKWQD-XHSDSOJGSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083518998 679613644 /nfs/dbraw/zinc/61/36/44/679613644.db2.gz YVNRXPSHZNKWQD-XHSDSOJGSA-N 2 1 350.467 -0.583 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083524615 679617138 /nfs/dbraw/zinc/61/71/38/679617138.db2.gz CNNBPNLEDBQSDZ-OAGGEKHMSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083524615 679617135 /nfs/dbraw/zinc/61/71/35/679617135.db2.gz CNNBPNLEDBQSDZ-OAGGEKHMSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083524615 679617132 /nfs/dbraw/zinc/61/71/32/679617132.db2.gz CNNBPNLEDBQSDZ-OAGGEKHMSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083524615 679617129 /nfs/dbraw/zinc/61/71/29/679617129.db2.gz CNNBPNLEDBQSDZ-OAGGEKHMSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083524616 679617076 /nfs/dbraw/zinc/61/70/76/679617076.db2.gz CNNBPNLEDBQSDZ-XHSDSOJGSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083524616 679617073 /nfs/dbraw/zinc/61/70/73/679617073.db2.gz CNNBPNLEDBQSDZ-XHSDSOJGSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083524616 679617070 /nfs/dbraw/zinc/61/70/70/679617070.db2.gz CNNBPNLEDBQSDZ-XHSDSOJGSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083524616 679617069 /nfs/dbraw/zinc/61/70/69/679617069.db2.gz CNNBPNLEDBQSDZ-XHSDSOJGSA-N 2 1 350.467 -0.298 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001083565281 836697556 /nfs/dbraw/zinc/69/75/56/836697556.db2.gz KLSDQTKBSQBASJ-MXASKKJJSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001083565281 836697545 /nfs/dbraw/zinc/69/75/45/836697545.db2.gz KLSDQTKBSQBASJ-MXASKKJJSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001083565281 836697538 /nfs/dbraw/zinc/69/75/38/836697538.db2.gz KLSDQTKBSQBASJ-MXASKKJJSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001083565281 836697529 /nfs/dbraw/zinc/69/75/29/836697529.db2.gz KLSDQTKBSQBASJ-MXASKKJJSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083594075 836802436 /nfs/dbraw/zinc/80/24/36/836802436.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083594075 836802425 /nfs/dbraw/zinc/80/24/25/836802425.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083594075 836802414 /nfs/dbraw/zinc/80/24/14/836802414.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083594075 836802410 /nfs/dbraw/zinc/80/24/10/836802410.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083594075 836802398 /nfs/dbraw/zinc/80/23/98/836802398.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083594076 836803164 /nfs/dbraw/zinc/80/31/64/836803164.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083594076 836803144 /nfs/dbraw/zinc/80/31/44/836803144.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083594076 836803134 /nfs/dbraw/zinc/80/31/34/836803134.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083594076 836803127 /nfs/dbraw/zinc/80/31/27/836803127.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083594076 836803122 /nfs/dbraw/zinc/80/31/22/836803122.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083719224 837038569 /nfs/dbraw/zinc/03/85/69/837038569.db2.gz USKILRISUFFVMF-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083719225 837039385 /nfs/dbraw/zinc/03/93/85/837039385.db2.gz USKILRISUFFVMF-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719680 837039082 /nfs/dbraw/zinc/03/90/82/837039082.db2.gz PYLSANXTGGVWHA-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719680 837039068 /nfs/dbraw/zinc/03/90/68/837039068.db2.gz PYLSANXTGGVWHA-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719680 837039064 /nfs/dbraw/zinc/03/90/64/837039064.db2.gz PYLSANXTGGVWHA-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719680 837039055 /nfs/dbraw/zinc/03/90/55/837039055.db2.gz PYLSANXTGGVWHA-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083719680 837039046 /nfs/dbraw/zinc/03/90/46/837039046.db2.gz PYLSANXTGGVWHA-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719681 837038227 /nfs/dbraw/zinc/03/82/27/837038227.db2.gz PYLSANXTGGVWHA-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719681 837038213 /nfs/dbraw/zinc/03/82/13/837038213.db2.gz PYLSANXTGGVWHA-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719681 837038202 /nfs/dbraw/zinc/03/82/02/837038202.db2.gz PYLSANXTGGVWHA-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083719681 837038194 /nfs/dbraw/zinc/03/81/94/837038194.db2.gz PYLSANXTGGVWHA-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083719681 837038186 /nfs/dbraw/zinc/03/81/86/837038186.db2.gz PYLSANXTGGVWHA-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723760 837050275 /nfs/dbraw/zinc/05/02/75/837050275.db2.gz ZULQONFKPBKQFK-IKGGRYGDSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723760 837050265 /nfs/dbraw/zinc/05/02/65/837050265.db2.gz ZULQONFKPBKQFK-IKGGRYGDSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723760 837050258 /nfs/dbraw/zinc/05/02/58/837050258.db2.gz ZULQONFKPBKQFK-IKGGRYGDSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723760 837050250 /nfs/dbraw/zinc/05/02/50/837050250.db2.gz ZULQONFKPBKQFK-IKGGRYGDSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723761 837050188 /nfs/dbraw/zinc/05/01/88/837050188.db2.gz ZULQONFKPBKQFK-IXDOHACOSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723761 837050178 /nfs/dbraw/zinc/05/01/78/837050178.db2.gz ZULQONFKPBKQFK-IXDOHACOSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723761 837050169 /nfs/dbraw/zinc/05/01/69/837050169.db2.gz ZULQONFKPBKQFK-IXDOHACOSA-N 2 1 355.479 -0.317 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083723761 837050162 /nfs/dbraw/zinc/05/01/62/837050162.db2.gz ZULQONFKPBKQFK-IXDOHACOSA-N 2 1 355.479 -0.317 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083728258 837062078 /nfs/dbraw/zinc/06/20/78/837062078.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083728258 837062071 /nfs/dbraw/zinc/06/20/71/837062071.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083728258 837062062 /nfs/dbraw/zinc/06/20/62/837062062.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083728258 837062054 /nfs/dbraw/zinc/06/20/54/837062054.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083728258 837062048 /nfs/dbraw/zinc/06/20/48/837062048.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 1 352.479 -0.500 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749741 837132794 /nfs/dbraw/zinc/13/27/94/837132794.db2.gz OVSWOEDAGHVLAE-CABCVRRESA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749741 837132785 /nfs/dbraw/zinc/13/27/85/837132785.db2.gz OVSWOEDAGHVLAE-CABCVRRESA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749827 837133605 /nfs/dbraw/zinc/13/36/05/837133605.db2.gz SWLBYAVHRSBZCV-CVEARBPZSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749827 837133601 /nfs/dbraw/zinc/13/36/01/837133601.db2.gz SWLBYAVHRSBZCV-CVEARBPZSA-N 2 1 350.467 -0.602 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749927 837133156 /nfs/dbraw/zinc/13/31/56/837133156.db2.gz XJOHYUUEKARWDU-BMFZPTHFSA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749928 837133387 /nfs/dbraw/zinc/13/33/87/837133387.db2.gz XJOHYUUEKARWDU-IMJJTQAJSA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083750068 837133573 /nfs/dbraw/zinc/13/35/73/837133573.db2.gz DTKLMHZUQDAXBR-CVEARBPZSA-N 2 1 352.479 -0.498 20 0 FBADMP Cc1nc(C)n(CCN2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)n1 ZINC001083778442 837205780 /nfs/dbraw/zinc/20/57/80/837205780.db2.gz MYVUQSGPEXROSK-MAZHCROVSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CCN2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)n1 ZINC001083778443 837205544 /nfs/dbraw/zinc/20/55/44/837205544.db2.gz MYVUQSGPEXROSK-WQVCFCJDSA-N 2 1 350.467 -0.459 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779439 837210402 /nfs/dbraw/zinc/21/04/02/837210402.db2.gz BPFOYBAFYJXKDB-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779439 837210396 /nfs/dbraw/zinc/21/03/96/837210396.db2.gz BPFOYBAFYJXKDB-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779439 837210390 /nfs/dbraw/zinc/21/03/90/837210390.db2.gz BPFOYBAFYJXKDB-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083779439 837210382 /nfs/dbraw/zinc/21/03/82/837210382.db2.gz BPFOYBAFYJXKDB-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779440 837209788 /nfs/dbraw/zinc/20/97/88/837209788.db2.gz BPFOYBAFYJXKDB-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779440 837209780 /nfs/dbraw/zinc/20/97/80/837209780.db2.gz BPFOYBAFYJXKDB-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083779440 837209767 /nfs/dbraw/zinc/20/97/67/837209767.db2.gz BPFOYBAFYJXKDB-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083779440 837209740 /nfs/dbraw/zinc/20/97/40/837209740.db2.gz BPFOYBAFYJXKDB-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001083780777 837213815 /nfs/dbraw/zinc/21/38/15/837213815.db2.gz KCAMQWJJNCEHMR-CFVMTHIKSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001083780777 837213810 /nfs/dbraw/zinc/21/38/10/837213810.db2.gz KCAMQWJJNCEHMR-CFVMTHIKSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001083780777 837213804 /nfs/dbraw/zinc/21/38/04/837213804.db2.gz KCAMQWJJNCEHMR-CFVMTHIKSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001083780777 837213798 /nfs/dbraw/zinc/21/37/98/837213798.db2.gz KCAMQWJJNCEHMR-CFVMTHIKSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083780778 837213114 /nfs/dbraw/zinc/21/31/14/837213114.db2.gz KCAMQWJJNCEHMR-YUELXQCFSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083780778 837213105 /nfs/dbraw/zinc/21/31/05/837213105.db2.gz KCAMQWJJNCEHMR-YUELXQCFSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083780778 837213096 /nfs/dbraw/zinc/21/30/96/837213096.db2.gz KCAMQWJJNCEHMR-YUELXQCFSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083780778 837213086 /nfs/dbraw/zinc/21/30/86/837213086.db2.gz KCAMQWJJNCEHMR-YUELXQCFSA-N 2 1 351.451 -0.186 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781415 837217691 /nfs/dbraw/zinc/21/76/91/837217691.db2.gz GPCYFJXOQUYWHG-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781415 837217685 /nfs/dbraw/zinc/21/76/85/837217685.db2.gz GPCYFJXOQUYWHG-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781415 837217679 /nfs/dbraw/zinc/21/76/79/837217679.db2.gz GPCYFJXOQUYWHG-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781415 837217669 /nfs/dbraw/zinc/21/76/69/837217669.db2.gz GPCYFJXOQUYWHG-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781416 837217955 /nfs/dbraw/zinc/21/79/55/837217955.db2.gz GPCYFJXOQUYWHG-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781416 837217945 /nfs/dbraw/zinc/21/79/45/837217945.db2.gz GPCYFJXOQUYWHG-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781416 837217933 /nfs/dbraw/zinc/21/79/33/837217933.db2.gz GPCYFJXOQUYWHG-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083781416 837217922 /nfs/dbraw/zinc/21/79/22/837217922.db2.gz GPCYFJXOQUYWHG-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CC1(C)CCN(CC(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083782697 837228134 /nfs/dbraw/zinc/22/81/34/837228134.db2.gz HLBFQHZFQORATJ-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083782697 837228127 /nfs/dbraw/zinc/22/81/27/837228127.db2.gz HLBFQHZFQORATJ-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833268 837594195 /nfs/dbraw/zinc/59/41/95/837594195.db2.gz RQWXSEGAEYHPLF-OAGGEKHMSA-N 2 1 350.467 -0.298 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833269 837593703 /nfs/dbraw/zinc/59/37/03/837593703.db2.gz RQWXSEGAEYHPLF-PMPSAXMXSA-N 2 1 350.467 -0.298 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083833378 837593999 /nfs/dbraw/zinc/59/39/99/837593999.db2.gz XOSKEWQIMUUOEJ-CVEARBPZSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083833378 837593994 /nfs/dbraw/zinc/59/39/94/837593994.db2.gz XOSKEWQIMUUOEJ-CVEARBPZSA-N 2 1 352.479 -0.498 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833515 837593951 /nfs/dbraw/zinc/59/39/51/837593951.db2.gz GKZNZQOIEDMUBN-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833515 837593945 /nfs/dbraw/zinc/59/39/45/837593945.db2.gz GKZNZQOIEDMUBN-OAGGEKHMSA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833516 837593537 /nfs/dbraw/zinc/59/35/37/837593537.db2.gz GKZNZQOIEDMUBN-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833516 837593531 /nfs/dbraw/zinc/59/35/31/837593531.db2.gz GKZNZQOIEDMUBN-PMPSAXMXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cn1 ZINC001083851061 837681899 /nfs/dbraw/zinc/68/18/99/837681899.db2.gz LDEXPVQEQQTWQH-BMFZPTHFSA-N 2 1 351.451 -0.744 20 0 FBADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cn1 ZINC001083851062 837682247 /nfs/dbraw/zinc/68/22/47/837682247.db2.gz LDEXPVQEQQTWQH-IMJJTQAJSA-N 2 1 351.451 -0.744 20 0 FBADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1)OC ZINC001083851304 837683135 /nfs/dbraw/zinc/68/31/35/837683135.db2.gz YLEYMKGLLFPDDR-OAGGEKHMSA-N 2 1 353.467 -0.355 20 0 FBADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1)OC ZINC001083851305 837683314 /nfs/dbraw/zinc/68/33/14/837683314.db2.gz YLEYMKGLLFPDDR-XHSDSOJGSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001083908688 837844718 /nfs/dbraw/zinc/84/47/18/837844718.db2.gz QOKNJMHHNBDEIB-CVEARBPZSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001083908688 837844712 /nfs/dbraw/zinc/84/47/12/837844712.db2.gz QOKNJMHHNBDEIB-CVEARBPZSA-N 2 1 350.467 -0.440 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953346 838979745 /nfs/dbraw/zinc/97/97/45/838979745.db2.gz POADITUJSWUMGJ-OAGGEKHMSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953346 838979742 /nfs/dbraw/zinc/97/97/42/838979742.db2.gz POADITUJSWUMGJ-OAGGEKHMSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953346 838979738 /nfs/dbraw/zinc/97/97/38/838979738.db2.gz POADITUJSWUMGJ-OAGGEKHMSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953346 838979735 /nfs/dbraw/zinc/97/97/35/838979735.db2.gz POADITUJSWUMGJ-OAGGEKHMSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953347 838979647 /nfs/dbraw/zinc/97/96/47/838979647.db2.gz POADITUJSWUMGJ-XHSDSOJGSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953347 838979640 /nfs/dbraw/zinc/97/96/40/838979640.db2.gz POADITUJSWUMGJ-XHSDSOJGSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953347 838979636 /nfs/dbraw/zinc/97/96/36/838979636.db2.gz POADITUJSWUMGJ-XHSDSOJGSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953347 838979629 /nfs/dbraw/zinc/97/96/29/838979629.db2.gz POADITUJSWUMGJ-XHSDSOJGSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953494 838980934 /nfs/dbraw/zinc/98/09/34/838980934.db2.gz VFLDKZWXSQMOBL-KFWWJZLASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953494 838980923 /nfs/dbraw/zinc/98/09/23/838980923.db2.gz VFLDKZWXSQMOBL-KFWWJZLASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953494 838980920 /nfs/dbraw/zinc/98/09/20/838980920.db2.gz VFLDKZWXSQMOBL-KFWWJZLASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953494 838980911 /nfs/dbraw/zinc/98/09/11/838980911.db2.gz VFLDKZWXSQMOBL-KFWWJZLASA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953495 838981304 /nfs/dbraw/zinc/98/13/04/838981304.db2.gz VFLDKZWXSQMOBL-ZNMIVQPWSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953495 838981296 /nfs/dbraw/zinc/98/12/96/838981296.db2.gz VFLDKZWXSQMOBL-ZNMIVQPWSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953495 838981285 /nfs/dbraw/zinc/98/12/85/838981285.db2.gz VFLDKZWXSQMOBL-ZNMIVQPWSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953495 838981274 /nfs/dbraw/zinc/98/12/74/838981274.db2.gz VFLDKZWXSQMOBL-ZNMIVQPWSA-N 2 1 351.451 -0.186 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955067 838981374 /nfs/dbraw/zinc/98/13/74/838981374.db2.gz VHKTZMIEXIGYRB-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955067 838981369 /nfs/dbraw/zinc/98/13/69/838981369.db2.gz VHKTZMIEXIGYRB-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955067 838981359 /nfs/dbraw/zinc/98/13/59/838981359.db2.gz VHKTZMIEXIGYRB-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955068 838980829 /nfs/dbraw/zinc/98/08/29/838980829.db2.gz VHKTZMIEXIGYRB-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955068 838980823 /nfs/dbraw/zinc/98/08/23/838980823.db2.gz VHKTZMIEXIGYRB-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955068 838980814 /nfs/dbraw/zinc/98/08/14/838980814.db2.gz VHKTZMIEXIGYRB-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958093 838985668 /nfs/dbraw/zinc/98/56/68/838985668.db2.gz YXWSUCSUYIZZGR-CABCVRRESA-N 2 1 350.463 -0.744 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959123 838987197 /nfs/dbraw/zinc/98/71/97/838987197.db2.gz HDJHRIVRUTVRQK-KFWWJZLASA-N 2 1 350.463 -0.840 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959124 838987016 /nfs/dbraw/zinc/98/70/16/838987016.db2.gz HDJHRIVRUTVRQK-ZNMIVQPWSA-N 2 1 350.463 -0.840 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079125 839014493 /nfs/dbraw/zinc/01/44/93/839014493.db2.gz XFTOJRBTHFGADC-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079125 839014482 /nfs/dbraw/zinc/01/44/82/839014482.db2.gz XFTOJRBTHFGADC-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079125 839014475 /nfs/dbraw/zinc/01/44/75/839014475.db2.gz XFTOJRBTHFGADC-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079125 839014459 /nfs/dbraw/zinc/01/44/59/839014459.db2.gz XFTOJRBTHFGADC-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079126 839013405 /nfs/dbraw/zinc/01/34/05/839013405.db2.gz XFTOJRBTHFGADC-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079126 839013398 /nfs/dbraw/zinc/01/33/98/839013398.db2.gz XFTOJRBTHFGADC-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079126 839013389 /nfs/dbraw/zinc/01/33/89/839013389.db2.gz XFTOJRBTHFGADC-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084079126 839013378 /nfs/dbraw/zinc/01/33/78/839013378.db2.gz XFTOJRBTHFGADC-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001084449137 839077422 /nfs/dbraw/zinc/07/74/22/839077422.db2.gz STGFSAOWOGWXSE-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001084449137 839077416 /nfs/dbraw/zinc/07/74/16/839077416.db2.gz STGFSAOWOGWXSE-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084538835 839085902 /nfs/dbraw/zinc/08/59/02/839085902.db2.gz UYMHYOJVSHMQMG-VQHPVUNQSA-N 2 1 353.463 -0.609 20 0 FBADMP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084538835 839085896 /nfs/dbraw/zinc/08/58/96/839085896.db2.gz UYMHYOJVSHMQMG-VQHPVUNQSA-N 2 1 353.463 -0.609 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001084668352 839093963 /nfs/dbraw/zinc/09/39/63/839093963.db2.gz STGFSAOWOGWXSE-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001084668352 839093951 /nfs/dbraw/zinc/09/39/51/839093951.db2.gz STGFSAOWOGWXSE-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745100 839103167 /nfs/dbraw/zinc/10/31/67/839103167.db2.gz IGDOMSFPWHTRHW-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745100 839103164 /nfs/dbraw/zinc/10/31/64/839103164.db2.gz IGDOMSFPWHTRHW-FVQBIDKESA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745101 839103277 /nfs/dbraw/zinc/10/32/77/839103277.db2.gz IGDOMSFPWHTRHW-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745101 839103273 /nfs/dbraw/zinc/10/32/73/839103273.db2.gz IGDOMSFPWHTRHW-VNQPRFMTSA-N 2 1 352.479 -0.106 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745284 839103484 /nfs/dbraw/zinc/10/34/84/839103484.db2.gz RKERNMIWDKOBEY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745284 839103481 /nfs/dbraw/zinc/10/34/81/839103481.db2.gz RKERNMIWDKOBEY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084745302 839103500 /nfs/dbraw/zinc/10/35/00/839103500.db2.gz SGVOBXGXXSQSKW-FVQBIDKESA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084745302 839103495 /nfs/dbraw/zinc/10/34/95/839103495.db2.gz SGVOBXGXXSQSKW-FVQBIDKESA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084745303 839103370 /nfs/dbraw/zinc/10/33/70/839103370.db2.gz SGVOBXGXXSQSKW-VNQPRFMTSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084745303 839103360 /nfs/dbraw/zinc/10/33/60/839103360.db2.gz SGVOBXGXXSQSKW-VNQPRFMTSA-N 2 1 350.463 -0.482 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745427 839103596 /nfs/dbraw/zinc/10/35/96/839103596.db2.gz ZGQOLYHVCQNYLI-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745427 839103586 /nfs/dbraw/zinc/10/35/86/839103586.db2.gz ZGQOLYHVCQNYLI-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745428 839103216 /nfs/dbraw/zinc/10/32/16/839103216.db2.gz ZGQOLYHVCQNYLI-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745428 839103209 /nfs/dbraw/zinc/10/32/09/839103209.db2.gz ZGQOLYHVCQNYLI-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830410 839110122 /nfs/dbraw/zinc/11/01/22/839110122.db2.gz UUMOUVKRBRHYSC-BZUAXINKSA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830410 839110120 /nfs/dbraw/zinc/11/01/20/839110120.db2.gz UUMOUVKRBRHYSC-BZUAXINKSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830410 839110119 /nfs/dbraw/zinc/11/01/19/839110119.db2.gz UUMOUVKRBRHYSC-BZUAXINKSA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830410 839110118 /nfs/dbraw/zinc/11/01/18/839110118.db2.gz UUMOUVKRBRHYSC-BZUAXINKSA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830411 839110087 /nfs/dbraw/zinc/11/00/87/839110087.db2.gz UUMOUVKRBRHYSC-OWCLPIDISA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830411 839110082 /nfs/dbraw/zinc/11/00/82/839110082.db2.gz UUMOUVKRBRHYSC-OWCLPIDISA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830411 839110079 /nfs/dbraw/zinc/11/00/79/839110079.db2.gz UUMOUVKRBRHYSC-OWCLPIDISA-N 2 1 350.463 -0.670 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC001084830411 839110075 /nfs/dbraw/zinc/11/00/75/839110075.db2.gz UUMOUVKRBRHYSC-OWCLPIDISA-N 2 1 350.463 -0.670 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830840 839110150 /nfs/dbraw/zinc/11/01/50/839110150.db2.gz LAPHUTDWKVUCCY-BZUAXINKSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830840 839110149 /nfs/dbraw/zinc/11/01/49/839110149.db2.gz LAPHUTDWKVUCCY-BZUAXINKSA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830840 839110147 /nfs/dbraw/zinc/11/01/47/839110147.db2.gz LAPHUTDWKVUCCY-BZUAXINKSA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830840 839110146 /nfs/dbraw/zinc/11/01/46/839110146.db2.gz LAPHUTDWKVUCCY-BZUAXINKSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830841 839109831 /nfs/dbraw/zinc/10/98/31/839109831.db2.gz LAPHUTDWKVUCCY-OWCLPIDISA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830841 839109822 /nfs/dbraw/zinc/10/98/22/839109822.db2.gz LAPHUTDWKVUCCY-OWCLPIDISA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830841 839109815 /nfs/dbraw/zinc/10/98/15/839109815.db2.gz LAPHUTDWKVUCCY-OWCLPIDISA-N 2 1 370.519 -0.494 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001084830841 839109807 /nfs/dbraw/zinc/10/98/07/839109807.db2.gz LAPHUTDWKVUCCY-OWCLPIDISA-N 2 1 370.519 -0.494 20 0 FBADMP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910835 839119391 /nfs/dbraw/zinc/11/93/91/839119391.db2.gz DFGINGNSUWOMOP-KBMXLJTQSA-N 2 1 350.463 -0.482 20 0 FBADMP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910835 839119384 /nfs/dbraw/zinc/11/93/84/839119384.db2.gz DFGINGNSUWOMOP-KBMXLJTQSA-N 2 1 350.463 -0.482 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910836 839120022 /nfs/dbraw/zinc/12/00/22/839120022.db2.gz DFGINGNSUWOMOP-VNQPRFMTSA-N 2 1 350.463 -0.482 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910836 839120019 /nfs/dbraw/zinc/12/00/19/839120019.db2.gz DFGINGNSUWOMOP-VNQPRFMTSA-N 2 1 350.463 -0.482 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CCN(CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911273 839119852 /nfs/dbraw/zinc/11/98/52/839119852.db2.gz ULUJHLCPXOGQSX-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911273 839119844 /nfs/dbraw/zinc/11/98/44/839119844.db2.gz ULUJHLCPXOGQSX-OWCLPIDISA-N 2 1 350.463 -0.528 20 0 FBADMP CN1CCO[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911274 839119636 /nfs/dbraw/zinc/11/96/36/839119636.db2.gz ULUJHLCPXOGQSX-PMPSAXMXSA-N 2 1 350.463 -0.528 20 0 FBADMP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911274 839119631 /nfs/dbraw/zinc/11/96/31/839119631.db2.gz ULUJHLCPXOGQSX-PMPSAXMXSA-N 2 1 350.463 -0.528 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084971120 839126096 /nfs/dbraw/zinc/12/60/96/839126096.db2.gz OCRFFCBIINQMHI-CABCVRRESA-N 2 1 352.479 -0.247 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084971120 839126093 /nfs/dbraw/zinc/12/60/93/839126093.db2.gz OCRFFCBIINQMHI-CABCVRRESA-N 2 1 352.479 -0.247 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056945 839137847 /nfs/dbraw/zinc/13/78/47/839137847.db2.gz SVGGTEAGXZXUJR-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056945 839137841 /nfs/dbraw/zinc/13/78/41/839137841.db2.gz SVGGTEAGXZXUJR-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064770 839137436 /nfs/dbraw/zinc/13/74/36/839137436.db2.gz YKTLUZNNZMKUHC-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064770 839137431 /nfs/dbraw/zinc/13/74/31/839137431.db2.gz YKTLUZNNZMKUHC-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085152314 839143803 /nfs/dbraw/zinc/14/38/03/839143803.db2.gz AHCOKLVHLLSPFZ-MCIONIFRSA-N 2 1 351.451 -0.351 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085152315 839144296 /nfs/dbraw/zinc/14/42/96/839144296.db2.gz AHCOKLVHLLSPFZ-MGPQQGTHSA-N 2 1 351.451 -0.351 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085152616 839144335 /nfs/dbraw/zinc/14/43/35/839144335.db2.gz KWNPDECNSCQXRI-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085152617 839144357 /nfs/dbraw/zinc/14/43/57/839144357.db2.gz KWNPDECNSCQXRI-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158904 839144009 /nfs/dbraw/zinc/14/40/09/839144009.db2.gz AQSACJWDIKXDQF-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158904 839144003 /nfs/dbraw/zinc/14/40/03/839144003.db2.gz AQSACJWDIKXDQF-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158905 839144109 /nfs/dbraw/zinc/14/41/09/839144109.db2.gz AQSACJWDIKXDQF-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158905 839144106 /nfs/dbraw/zinc/14/41/06/839144106.db2.gz AQSACJWDIKXDQF-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158908 839144163 /nfs/dbraw/zinc/14/41/63/839144163.db2.gz AXHAUPYNFYPGHC-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158908 839144161 /nfs/dbraw/zinc/14/41/61/839144161.db2.gz AXHAUPYNFYPGHC-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158909 839144350 /nfs/dbraw/zinc/14/43/50/839144350.db2.gz AXHAUPYNFYPGHC-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158909 839144347 /nfs/dbraw/zinc/14/43/47/839144347.db2.gz AXHAUPYNFYPGHC-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159335 839144067 /nfs/dbraw/zinc/14/40/67/839144067.db2.gz PVCBCVVQVIXNFH-KFWWJZLASA-N 2 1 353.467 -0.641 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159335 839144066 /nfs/dbraw/zinc/14/40/66/839144066.db2.gz PVCBCVVQVIXNFH-KFWWJZLASA-N 2 1 353.467 -0.641 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159336 839143849 /nfs/dbraw/zinc/14/38/49/839143849.db2.gz PVCBCVVQVIXNFH-RBSFLKMASA-N 2 1 353.467 -0.641 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159336 839143841 /nfs/dbraw/zinc/14/38/41/839143841.db2.gz PVCBCVVQVIXNFH-RBSFLKMASA-N 2 1 353.467 -0.641 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001085203886 839174569 /nfs/dbraw/zinc/17/45/69/839174569.db2.gz IFTXOKUMAXNPMF-AAVRWANBSA-N 2 1 350.467 -0.034 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)O1 ZINC001085242435 839177924 /nfs/dbraw/zinc/17/79/24/839177924.db2.gz RAWFKIJTAMWBFA-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)O1 ZINC001085242435 839177919 /nfs/dbraw/zinc/17/79/19/839177919.db2.gz RAWFKIJTAMWBFA-KLHDSHLOSA-N 2 1 352.479 -0.045 20 0 FBADMP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001085394153 839189472 /nfs/dbraw/zinc/18/94/72/839189472.db2.gz XGMQZBHJRYUCJJ-BFHYXJOUSA-N 2 1 350.467 -0.033 20 0 FBADMP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001085394154 839189401 /nfs/dbraw/zinc/18/94/01/839189401.db2.gz XGMQZBHJRYUCJJ-MGPQQGTHSA-N 2 1 350.467 -0.033 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085422575 839194954 /nfs/dbraw/zinc/19/49/54/839194954.db2.gz XWQMYHCKJPEKTQ-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085422576 839195049 /nfs/dbraw/zinc/19/50/49/839195049.db2.gz XWQMYHCKJPEKTQ-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001085423134 839194917 /nfs/dbraw/zinc/19/49/17/839194917.db2.gz YMWIYWPDVMJKTN-BFHYXJOUSA-N 2 1 351.451 -0.493 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001085423135 839195015 /nfs/dbraw/zinc/19/50/15/839195015.db2.gz YMWIYWPDVMJKTN-MGPQQGTHSA-N 2 1 351.451 -0.493 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085429606 839198575 /nfs/dbraw/zinc/19/85/75/839198575.db2.gz ZJGIGVGSYDNOFS-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085429606 839198570 /nfs/dbraw/zinc/19/85/70/839198570.db2.gz ZJGIGVGSYDNOFS-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085429607 839198808 /nfs/dbraw/zinc/19/88/08/839198808.db2.gz ZJGIGVGSYDNOFS-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085429607 839198804 /nfs/dbraw/zinc/19/88/04/839198804.db2.gz ZJGIGVGSYDNOFS-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001085606250 839206938 /nfs/dbraw/zinc/20/69/38/839206938.db2.gz HYJOKRTYDYKQJL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001085606250 839206924 /nfs/dbraw/zinc/20/69/24/839206924.db2.gz HYJOKRTYDYKQJL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001085606250 839206912 /nfs/dbraw/zinc/20/69/12/839206912.db2.gz HYJOKRTYDYKQJL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001085606250 839206898 /nfs/dbraw/zinc/20/68/98/839206898.db2.gz HYJOKRTYDYKQJL-HZSPNIEDSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001085606251 839206521 /nfs/dbraw/zinc/20/65/21/839206521.db2.gz HYJOKRTYDYKQJL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001085606251 839206510 /nfs/dbraw/zinc/20/65/10/839206510.db2.gz HYJOKRTYDYKQJL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001085606251 839206500 /nfs/dbraw/zinc/20/65/00/839206500.db2.gz HYJOKRTYDYKQJL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001085606251 839206493 /nfs/dbraw/zinc/20/64/93/839206493.db2.gz HYJOKRTYDYKQJL-MGPQQGTHSA-N 2 1 351.451 -0.589 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001086090595 839230258 /nfs/dbraw/zinc/23/02/58/839230258.db2.gz HLGGEFQQDHVBFM-YIYPIFLZSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086091049 839230625 /nfs/dbraw/zinc/23/06/25/839230625.db2.gz GCPPJRWKQCDGFV-APIJFGDWSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086091052 839230525 /nfs/dbraw/zinc/23/05/25/839230525.db2.gz GGYBOGUWJDDRMJ-LVQVYYBASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001086119829 839231688 /nfs/dbraw/zinc/23/16/88/839231688.db2.gz BHRCSTXKDZOFMB-APIJFGDWSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001086119829 839231680 /nfs/dbraw/zinc/23/16/80/839231680.db2.gz BHRCSTXKDZOFMB-APIJFGDWSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC001086119883 839231839 /nfs/dbraw/zinc/23/18/39/839231839.db2.gz DVFYSGHEXFCJAQ-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC001086119883 839231834 /nfs/dbraw/zinc/23/18/34/839231834.db2.gz DVFYSGHEXFCJAQ-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC001086119884 839231994 /nfs/dbraw/zinc/23/19/94/839231994.db2.gz DVFYSGHEXFCJAQ-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC001086119884 839231991 /nfs/dbraw/zinc/23/19/91/839231991.db2.gz DVFYSGHEXFCJAQ-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086119996 839231808 /nfs/dbraw/zinc/23/18/08/839231808.db2.gz IBRJUZQUGWWGBJ-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086119996 839231795 /nfs/dbraw/zinc/23/17/95/839231795.db2.gz IBRJUZQUGWWGBJ-IBEHDNSVSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086119997 839231318 /nfs/dbraw/zinc/23/13/18/839231318.db2.gz IBRJUZQUGWWGBJ-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086119997 839231304 /nfs/dbraw/zinc/23/13/04/839231304.db2.gz IBRJUZQUGWWGBJ-RBGFHDKUSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086120053 839231580 /nfs/dbraw/zinc/23/15/80/839231580.db2.gz JZHVXAFYQYYDNK-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086120053 839231567 /nfs/dbraw/zinc/23/15/67/839231567.db2.gz JZHVXAFYQYYDNK-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086120285 839231080 /nfs/dbraw/zinc/23/10/80/839231080.db2.gz SVKADTDSUCBBIC-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086120285 839231070 /nfs/dbraw/zinc/23/10/70/839231070.db2.gz SVKADTDSUCBBIC-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086369896 839241632 /nfs/dbraw/zinc/24/16/32/839241632.db2.gz GCPPJRWKQCDGFV-KBUPBQIOSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001086369922 839242884 /nfs/dbraw/zinc/24/28/84/839242884.db2.gz HLGGEFQQDHVBFM-AAVRWANBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086370920 839242487 /nfs/dbraw/zinc/24/24/87/839242487.db2.gz GGYBOGUWJDDRMJ-KLHDSHLOSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001086371017 839242914 /nfs/dbraw/zinc/24/29/14/839242914.db2.gz LUYFXXMIAMCSCR-XDQVBPFNSA-N 2 1 350.467 -0.177 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086399003 839243810 /nfs/dbraw/zinc/24/38/10/839243810.db2.gz JZHVXAFYQYYDNK-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086399003 839243795 /nfs/dbraw/zinc/24/37/95/839243795.db2.gz JZHVXAFYQYYDNK-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086399219 839243339 /nfs/dbraw/zinc/24/33/39/839243339.db2.gz SVKADTDSUCBBIC-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086399219 839243326 /nfs/dbraw/zinc/24/33/26/839243326.db2.gz SVKADTDSUCBBIC-KLHDSHLOSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001086400309 839243370 /nfs/dbraw/zinc/24/33/70/839243370.db2.gz BHRCSTXKDZOFMB-KBUPBQIOSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001086400309 839243359 /nfs/dbraw/zinc/24/33/59/839243359.db2.gz BHRCSTXKDZOFMB-KBUPBQIOSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC001086400371 839244133 /nfs/dbraw/zinc/24/41/33/839244133.db2.gz DVFYSGHEXFCJAQ-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)O1 ZINC001086400371 839244119 /nfs/dbraw/zinc/24/41/19/839244119.db2.gz DVFYSGHEXFCJAQ-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC001086400372 839244076 /nfs/dbraw/zinc/24/40/76/839244076.db2.gz DVFYSGHEXFCJAQ-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)O1 ZINC001086400372 839244063 /nfs/dbraw/zinc/24/40/63/839244063.db2.gz DVFYSGHEXFCJAQ-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086400465 839243653 /nfs/dbraw/zinc/24/36/53/839243653.db2.gz IBRJUZQUGWWGBJ-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086400465 839243637 /nfs/dbraw/zinc/24/36/37/839243637.db2.gz IBRJUZQUGWWGBJ-DGXTUMSLSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086400466 839243694 /nfs/dbraw/zinc/24/36/94/839243694.db2.gz IBRJUZQUGWWGBJ-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086400466 839243682 /nfs/dbraw/zinc/24/36/82/839243682.db2.gz IBRJUZQUGWWGBJ-OXGONZEZSA-N 2 1 352.479 -0.189 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086659011 839672971 /nfs/dbraw/zinc/67/29/71/839672971.db2.gz HPQFEMMQOUISEC-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086659012 839673240 /nfs/dbraw/zinc/67/32/40/839673240.db2.gz HPQFEMMQOUISEC-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086659604 839673284 /nfs/dbraw/zinc/67/32/84/839673284.db2.gz CXLMPYFQJSGQBL-BFHYXJOUSA-N 2 1 351.451 -0.493 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086659605 839673042 /nfs/dbraw/zinc/67/30/42/839673042.db2.gz CXLMPYFQJSGQBL-MJBXVCDLSA-N 2 1 351.451 -0.493 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086665166 839680640 /nfs/dbraw/zinc/68/06/40/839680640.db2.gz UQNNIILOQRPYNY-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086665166 839680635 /nfs/dbraw/zinc/68/06/35/839680635.db2.gz UQNNIILOQRPYNY-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086665167 839680839 /nfs/dbraw/zinc/68/08/39/839680839.db2.gz UQNNIILOQRPYNY-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086665167 839680831 /nfs/dbraw/zinc/68/08/31/839680831.db2.gz UQNNIILOQRPYNY-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086665375 839680701 /nfs/dbraw/zinc/68/07/01/839680701.db2.gz CWWJYFBBGXHHLD-RRFJBIMHSA-N 2 1 353.467 -0.783 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086665375 839680696 /nfs/dbraw/zinc/68/06/96/839680696.db2.gz CWWJYFBBGXHHLD-RRFJBIMHSA-N 2 1 353.467 -0.783 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086665376 839681025 /nfs/dbraw/zinc/68/10/25/839681025.db2.gz CWWJYFBBGXHHLD-ZNMIVQPWSA-N 2 1 353.467 -0.783 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086665376 839681019 /nfs/dbraw/zinc/68/10/19/839681019.db2.gz CWWJYFBBGXHHLD-ZNMIVQPWSA-N 2 1 353.467 -0.783 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086665426 839680775 /nfs/dbraw/zinc/68/07/75/839680775.db2.gz FBWSEDQFJILCIQ-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086665426 839680767 /nfs/dbraw/zinc/68/07/67/839680767.db2.gz FBWSEDQFJILCIQ-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086665427 839680966 /nfs/dbraw/zinc/68/09/66/839680966.db2.gz FBWSEDQFJILCIQ-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086665427 839680957 /nfs/dbraw/zinc/68/09/57/839680957.db2.gz FBWSEDQFJILCIQ-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086717119 839728040 /nfs/dbraw/zinc/72/80/40/839728040.db2.gz ICIOUQWBKNAKPT-LZWOXQAQSA-N 2 1 352.479 -0.010 20 0 FBADMP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086717120 839728573 /nfs/dbraw/zinc/72/85/73/839728573.db2.gz ICIOUQWBKNAKPT-SQWLQELKSA-N 2 1 352.479 -0.010 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001086731215 839738348 /nfs/dbraw/zinc/73/83/48/839738348.db2.gz BRDROFRZBSXOGT-HLPPOEQASA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)O1 ZINC001086731333 839739149 /nfs/dbraw/zinc/73/91/49/839739149.db2.gz GZCZBMDPKVFBGZ-QKPAOTATSA-N 2 1 350.467 -0.128 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)O1 ZINC001086731333 839739138 /nfs/dbraw/zinc/73/91/38/839739138.db2.gz GZCZBMDPKVFBGZ-QKPAOTATSA-N 2 1 350.467 -0.128 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001086731445 839738846 /nfs/dbraw/zinc/73/88/46/839738846.db2.gz LXMJAHTWVYWXPA-HLPPOEQASA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001086731445 839738839 /nfs/dbraw/zinc/73/88/39/839738839.db2.gz LXMJAHTWVYWXPA-HLPPOEQASA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001086731780 839739433 /nfs/dbraw/zinc/73/94/33/839739433.db2.gz CHCQGPVPIFNSQS-XJFOESAGSA-N 2 1 351.455 -0.696 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001086731780 839739425 /nfs/dbraw/zinc/73/94/25/839739425.db2.gz CHCQGPVPIFNSQS-XJFOESAGSA-N 2 1 351.455 -0.696 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001086731787 839739267 /nfs/dbraw/zinc/73/92/67/839739267.db2.gz CLMISNHNCSMPRA-QKPAOTATSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001086731787 839739259 /nfs/dbraw/zinc/73/92/59/839739259.db2.gz CLMISNHNCSMPRA-QKPAOTATSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001086731854 839739551 /nfs/dbraw/zinc/73/95/51/839739551.db2.gz GPIZHAJNYZQEMQ-LXTVHRRPSA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001086731854 839739544 /nfs/dbraw/zinc/73/95/44/839739544.db2.gz GPIZHAJNYZQEMQ-LXTVHRRPSA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001086731897 839739020 /nfs/dbraw/zinc/73/90/20/839739020.db2.gz ITHPPJXFVZCFFU-LXTVHRRPSA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001086731897 839739009 /nfs/dbraw/zinc/73/90/09/839739009.db2.gz ITHPPJXFVZCFFU-LXTVHRRPSA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001086732142 839738695 /nfs/dbraw/zinc/73/86/95/839738695.db2.gz XHXYUHVQNUTHDH-HLPPOEQASA-N 2 1 350.467 -0.091 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001086732142 839738685 /nfs/dbraw/zinc/73/86/85/839738685.db2.gz XHXYUHVQNUTHDH-HLPPOEQASA-N 2 1 350.467 -0.091 20 0 FBADMP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc1=O ZINC001086734409 839740373 /nfs/dbraw/zinc/74/03/73/839740373.db2.gz GDKSVBOBHJOCAO-BFHYXJOUSA-N 2 1 350.467 -0.033 20 0 FBADMP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1=O ZINC001086734410 839740404 /nfs/dbraw/zinc/74/04/04/839740404.db2.gz GDKSVBOBHJOCAO-MJBXVCDLSA-N 2 1 350.467 -0.033 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086875105 839965895 /nfs/dbraw/zinc/96/58/95/839965895.db2.gz FYDFLRCVGMINEC-BFHYXJOUSA-N 2 1 351.451 -0.636 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086875106 839965411 /nfs/dbraw/zinc/96/54/11/839965411.db2.gz FYDFLRCVGMINEC-MELADBBJSA-N 2 1 351.451 -0.636 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086875181 839966067 /nfs/dbraw/zinc/96/60/67/839966067.db2.gz JGRFZZRKLXEUNR-ARFHVFGLSA-N 2 1 352.479 -0.329 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086875182 839965807 /nfs/dbraw/zinc/96/58/07/839965807.db2.gz JGRFZZRKLXEUNR-HRCADAONSA-N 2 1 352.479 -0.329 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086875974 839966079 /nfs/dbraw/zinc/96/60/79/839966079.db2.gz SCMKPDOZDGEHCG-RRFJBIMHSA-N 2 1 350.463 -0.038 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086875975 839965838 /nfs/dbraw/zinc/96/58/38/839965838.db2.gz SCMKPDOZDGEHCG-SOUVJXGZSA-N 2 1 350.463 -0.038 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC001086880407 839964448 /nfs/dbraw/zinc/96/44/48/839964448.db2.gz YFBAAOAPWZAPQI-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC001086880407 839964440 /nfs/dbraw/zinc/96/44/40/839964440.db2.gz YFBAAOAPWZAPQI-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC001086880408 839964301 /nfs/dbraw/zinc/96/43/01/839964301.db2.gz YFBAAOAPWZAPQI-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC001086880408 839964294 /nfs/dbraw/zinc/96/42/94/839964294.db2.gz YFBAAOAPWZAPQI-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086880437 839964169 /nfs/dbraw/zinc/96/41/69/839964169.db2.gz ZWKWDKGCWGWJCX-ARFHVFGLSA-N 2 1 350.467 -0.127 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086880437 839964167 /nfs/dbraw/zinc/96/41/67/839964167.db2.gz ZWKWDKGCWGWJCX-ARFHVFGLSA-N 2 1 350.467 -0.127 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086880438 839964223 /nfs/dbraw/zinc/96/42/23/839964223.db2.gz ZWKWDKGCWGWJCX-XHSDSOJGSA-N 2 1 350.467 -0.127 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086880438 839964217 /nfs/dbraw/zinc/96/42/17/839964217.db2.gz ZWKWDKGCWGWJCX-XHSDSOJGSA-N 2 1 350.467 -0.127 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086880629 839964373 /nfs/dbraw/zinc/96/43/73/839964373.db2.gz IEUCZZKKHXSLAB-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086880629 839964367 /nfs/dbraw/zinc/96/43/67/839964367.db2.gz IEUCZZKKHXSLAB-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086880630 839964136 /nfs/dbraw/zinc/96/41/36/839964136.db2.gz IEUCZZKKHXSLAB-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086880630 839964129 /nfs/dbraw/zinc/96/41/29/839964129.db2.gz IEUCZZKKHXSLAB-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086880748 839963989 /nfs/dbraw/zinc/96/39/89/839963989.db2.gz MVXFVWDULHBFDA-RRFJBIMHSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086880748 839963986 /nfs/dbraw/zinc/96/39/86/839963986.db2.gz MVXFVWDULHBFDA-RRFJBIMHSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086880749 839965022 /nfs/dbraw/zinc/96/50/22/839965022.db2.gz MVXFVWDULHBFDA-ZNMIVQPWSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086880749 839965016 /nfs/dbraw/zinc/96/50/16/839965016.db2.gz MVXFVWDULHBFDA-ZNMIVQPWSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086880884 839964422 /nfs/dbraw/zinc/96/44/22/839964422.db2.gz UMKPKAXDLGKCBG-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086880884 839964414 /nfs/dbraw/zinc/96/44/14/839964414.db2.gz UMKPKAXDLGKCBG-LZWOXQAQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086880885 839965044 /nfs/dbraw/zinc/96/50/44/839965044.db2.gz UMKPKAXDLGKCBG-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086880885 839965039 /nfs/dbraw/zinc/96/50/39/839965039.db2.gz UMKPKAXDLGKCBG-SQWLQELKSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086880973 839964760 /nfs/dbraw/zinc/96/47/60/839964760.db2.gz XVQZIUSYCZTPRT-RRFJBIMHSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086880973 839964751 /nfs/dbraw/zinc/96/47/51/839964751.db2.gz XVQZIUSYCZTPRT-RRFJBIMHSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086880974 839964099 /nfs/dbraw/zinc/96/40/99/839964099.db2.gz XVQZIUSYCZTPRT-ZNMIVQPWSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086880974 839964092 /nfs/dbraw/zinc/96/40/92/839964092.db2.gz XVQZIUSYCZTPRT-ZNMIVQPWSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086880989 839964913 /nfs/dbraw/zinc/96/49/13/839964913.db2.gz YWLHSNBJCXRPKR-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086880989 839964897 /nfs/dbraw/zinc/96/48/97/839964897.db2.gz YWLHSNBJCXRPKR-ARFHVFGLSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086880990 839964189 /nfs/dbraw/zinc/96/41/89/839964189.db2.gz YWLHSNBJCXRPKR-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086880990 839964183 /nfs/dbraw/zinc/96/41/83/839964183.db2.gz YWLHSNBJCXRPKR-XHSDSOJGSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)O1 ZINC001086984213 839968062 /nfs/dbraw/zinc/96/80/62/839968062.db2.gz DRIOKCRFTGCOMM-SLBVQIDZSA-N 2 1 353.442 -0.007 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)O1 ZINC001086984213 839968053 /nfs/dbraw/zinc/96/80/53/839968053.db2.gz DRIOKCRFTGCOMM-SLBVQIDZSA-N 2 1 353.442 -0.007 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)O1 ZINC001086984264 839968173 /nfs/dbraw/zinc/96/81/73/839968173.db2.gz HGDNQCZPQBVJLZ-SLBVQIDZSA-N 2 1 351.451 -0.985 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)O1 ZINC001086984264 839968167 /nfs/dbraw/zinc/96/81/67/839968167.db2.gz HGDNQCZPQBVJLZ-SLBVQIDZSA-N 2 1 351.451 -0.985 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001087002412 839971140 /nfs/dbraw/zinc/97/11/40/839971140.db2.gz YHNCLAPUJPHVAJ-JKSUJKDBSA-N 2 1 351.451 -0.981 20 0 FBADMP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CCF)cn1 ZINC001087002429 839971047 /nfs/dbraw/zinc/97/10/47/839971047.db2.gz YYXSZSBTRLYNKN-JKSUJKDBSA-N 2 1 353.442 -0.004 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001087009956 839972283 /nfs/dbraw/zinc/97/22/83/839972283.db2.gz FZQKBBCAWZVGCY-ARFHVFGLSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001087009956 839972274 /nfs/dbraw/zinc/97/22/74/839972274.db2.gz FZQKBBCAWZVGCY-ARFHVFGLSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001087009957 839972557 /nfs/dbraw/zinc/97/25/57/839972557.db2.gz FZQKBBCAWZVGCY-XHSDSOJGSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001087009957 839972545 /nfs/dbraw/zinc/97/25/45/839972545.db2.gz FZQKBBCAWZVGCY-XHSDSOJGSA-N 2 1 351.451 -0.983 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001087009968 839972506 /nfs/dbraw/zinc/97/25/06/839972506.db2.gz GLKGNWZVKBHFEQ-ARFHVFGLSA-N 2 1 353.442 -0.006 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001087009968 839972504 /nfs/dbraw/zinc/97/25/04/839972504.db2.gz GLKGNWZVKBHFEQ-ARFHVFGLSA-N 2 1 353.442 -0.006 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001087009969 839972762 /nfs/dbraw/zinc/97/27/62/839972762.db2.gz GLKGNWZVKBHFEQ-XHSDSOJGSA-N 2 1 353.442 -0.006 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001087009969 839972757 /nfs/dbraw/zinc/97/27/57/839972757.db2.gz GLKGNWZVKBHFEQ-XHSDSOJGSA-N 2 1 353.442 -0.006 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087034871 839976930 /nfs/dbraw/zinc/97/69/30/839976930.db2.gz AIMMUGPJRADITO-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087034872 839977321 /nfs/dbraw/zinc/97/73/21/839977321.db2.gz AIMMUGPJRADITO-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087034972 839977740 /nfs/dbraw/zinc/97/77/40/839977740.db2.gz GIGCSTKEQUFWGN-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087034973 839977376 /nfs/dbraw/zinc/97/73/76/839977376.db2.gz GIGCSTKEQUFWGN-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087035115 839977248 /nfs/dbraw/zinc/97/72/48/839977248.db2.gz MHNGWXZWIXVWDR-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087035116 839977519 /nfs/dbraw/zinc/97/75/19/839977519.db2.gz MHNGWXZWIXVWDR-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087035211 839977297 /nfs/dbraw/zinc/97/72/97/839977297.db2.gz QGBGJDVBAUONMJ-FVQBIDKESA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087035212 839977629 /nfs/dbraw/zinc/97/76/29/839977629.db2.gz QGBGJDVBAUONMJ-VNQPRFMTSA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087035356 839977222 /nfs/dbraw/zinc/97/72/22/839977222.db2.gz XPJFYXOCHJTCNL-QLFBSQMISA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087035357 839977166 /nfs/dbraw/zinc/97/71/66/839977166.db2.gz XPJFYXOCHJTCNL-RBSFLKMASA-N 2 1 350.467 -0.138 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087035386 839977702 /nfs/dbraw/zinc/97/77/02/839977702.db2.gz ZATQGOQWAXNLBX-HZSPNIEDSA-N 2 1 351.455 -0.743 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087035387 839977446 /nfs/dbraw/zinc/97/74/46/839977446.db2.gz ZATQGOQWAXNLBX-MGPQQGTHSA-N 2 1 351.455 -0.743 20 0 FBADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087059610 839983584 /nfs/dbraw/zinc/98/35/84/839983584.db2.gz MCIIVGVVZFEZDL-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087059611 839984180 /nfs/dbraw/zinc/98/41/80/839984180.db2.gz MCIIVGVVZFEZDL-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087100024 839993671 /nfs/dbraw/zinc/99/36/71/839993671.db2.gz ABAUGWMAGRZETA-BFHYXJOUSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087100025 839993249 /nfs/dbraw/zinc/99/32/49/839993249.db2.gz ABAUGWMAGRZETA-MGPQQGTHSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087100401 839994169 /nfs/dbraw/zinc/99/41/69/839994169.db2.gz RLDPZXNAZWOYCG-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087100402 839993587 /nfs/dbraw/zinc/99/35/87/839993587.db2.gz RLDPZXNAZWOYCG-RRFJBIMHSA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087100738 839994053 /nfs/dbraw/zinc/99/40/53/839994053.db2.gz BIMAPJRGIKZZKQ-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087100739 839993359 /nfs/dbraw/zinc/99/33/59/839993359.db2.gz BIMAPJRGIKZZKQ-SQWLQELKSA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087100782 839993540 /nfs/dbraw/zinc/99/35/40/839993540.db2.gz DJZJTQMVCUWRKJ-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087100783 839993910 /nfs/dbraw/zinc/99/39/10/839993910.db2.gz DJZJTQMVCUWRKJ-SQWLQELKSA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087100847 839994239 /nfs/dbraw/zinc/99/42/39/839994239.db2.gz HTOVMCISXNUQNW-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087100848 839993571 /nfs/dbraw/zinc/99/35/71/839993571.db2.gz HTOVMCISXNUQNW-SQWLQELKSA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087100868 839994205 /nfs/dbraw/zinc/99/42/05/839994205.db2.gz IWIGPKVAJZERGX-BFHYXJOUSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087100868 839994198 /nfs/dbraw/zinc/99/41/98/839994198.db2.gz IWIGPKVAJZERGX-BFHYXJOUSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087100869 839994408 /nfs/dbraw/zinc/99/44/08/839994408.db2.gz IWIGPKVAJZERGX-MGPQQGTHSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087100869 839994401 /nfs/dbraw/zinc/99/44/01/839994401.db2.gz IWIGPKVAJZERGX-MGPQQGTHSA-N 2 1 351.455 -0.885 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087101018 839994334 /nfs/dbraw/zinc/99/43/34/839994334.db2.gz PQFKSVFOCYIPDY-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087101019 839994283 /nfs/dbraw/zinc/99/42/83/839994283.db2.gz PQFKSVFOCYIPDY-RRFJBIMHSA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087226439 836027047 /nfs/dbraw/zinc/02/70/47/836027047.db2.gz UPPUDYVDNRPWJF-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087226440 836027815 /nfs/dbraw/zinc/02/78/15/836027815.db2.gz UPPUDYVDNRPWJF-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087522914 836248670 /nfs/dbraw/zinc/24/86/70/836248670.db2.gz BTKCGARPZLFCLN-BFHYXJOUSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087522915 836248395 /nfs/dbraw/zinc/24/83/95/836248395.db2.gz BTKCGARPZLFCLN-MJBXVCDLSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CC(=O)N1CCOCC1 ZINC001087523409 836249481 /nfs/dbraw/zinc/24/94/81/836249481.db2.gz VBOVBYXCQQTAHW-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CC(=O)N1CCOCC1 ZINC001087523410 836249068 /nfs/dbraw/zinc/24/90/68/836249068.db2.gz VBOVBYXCQQTAHW-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCN1CCCC1=O ZINC001087530313 836252239 /nfs/dbraw/zinc/25/22/39/836252239.db2.gz VBOARRXHLSOFGF-ARFHVFGLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCN1CCCC1=O ZINC001087530314 836251500 /nfs/dbraw/zinc/25/15/00/836251500.db2.gz VBOARRXHLSOFGF-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(=O)NC ZINC001087576710 836265004 /nfs/dbraw/zinc/26/50/04/836265004.db2.gz YGPQIKORHHKKAI-DZGCQCFKSA-N 2 1 350.467 -0.227 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(=O)NC ZINC001087576710 836264993 /nfs/dbraw/zinc/26/49/93/836264993.db2.gz YGPQIKORHHKKAI-DZGCQCFKSA-N 2 1 350.467 -0.227 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCn1cncn1 ZINC001087622251 836270837 /nfs/dbraw/zinc/27/08/37/836270837.db2.gz BLVCNCSMQMUKRZ-QKPAOTATSA-N 2 1 350.467 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCn1cncn1 ZINC001087622251 836270826 /nfs/dbraw/zinc/27/08/26/836270826.db2.gz BLVCNCSMQMUKRZ-QKPAOTATSA-N 2 1 350.467 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCn1cncn1 ZINC001087622251 836270816 /nfs/dbraw/zinc/27/08/16/836270816.db2.gz BLVCNCSMQMUKRZ-QKPAOTATSA-N 2 1 350.467 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@H+]1CCn1cncn1 ZINC001087622251 836270801 /nfs/dbraw/zinc/27/08/01/836270801.db2.gz BLVCNCSMQMUKRZ-QKPAOTATSA-N 2 1 350.467 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087622306 836271149 /nfs/dbraw/zinc/27/11/49/836271149.db2.gz DZHAANDRUNNCMQ-QKPAOTATSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)NC ZINC001087665446 836276651 /nfs/dbraw/zinc/27/66/51/836276651.db2.gz PMWOXEABQBCWRG-QAVLVDEHSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)NC ZINC001087665446 836276639 /nfs/dbraw/zinc/27/66/39/836276639.db2.gz PMWOXEABQBCWRG-QAVLVDEHSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC(=O)NC ZINC001087665446 836276627 /nfs/dbraw/zinc/27/66/27/836276627.db2.gz PMWOXEABQBCWRG-QAVLVDEHSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC(=O)NC ZINC001087665446 836276616 /nfs/dbraw/zinc/27/66/16/836276616.db2.gz PMWOXEABQBCWRG-QAVLVDEHSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)NC ZINC001087665447 836275668 /nfs/dbraw/zinc/27/56/68/836275668.db2.gz PMWOXEABQBCWRG-YUGHPYOKSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)NC ZINC001087665447 836275660 /nfs/dbraw/zinc/27/56/60/836275660.db2.gz PMWOXEABQBCWRG-YUGHPYOKSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC(=O)NC ZINC001087665447 836275652 /nfs/dbraw/zinc/27/56/52/836275652.db2.gz PMWOXEABQBCWRG-YUGHPYOKSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC(=O)NC ZINC001087665447 836275642 /nfs/dbraw/zinc/27/56/42/836275642.db2.gz PMWOXEABQBCWRG-YUGHPYOKSA-N 2 1 350.463 -0.435 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087711387 836280975 /nfs/dbraw/zinc/28/09/75/836280975.db2.gz ARAWLDBTQDYBRF-UONOGXRCSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087726660 836282092 /nfs/dbraw/zinc/28/20/92/836282092.db2.gz NJKKHKPMUHEHBF-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087726661 836280648 /nfs/dbraw/zinc/28/06/48/836280648.db2.gz NJKKHKPMUHEHBF-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1CC(=O)NC ZINC001087757101 836284796 /nfs/dbraw/zinc/28/47/96/836284796.db2.gz BBBRAWQPPIOMCG-LSDHHAIUSA-N 2 1 350.467 -0.227 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CC(=O)NC ZINC001087757101 836284791 /nfs/dbraw/zinc/28/47/91/836284791.db2.gz BBBRAWQPPIOMCG-LSDHHAIUSA-N 2 1 350.467 -0.227 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087796499 836289163 /nfs/dbraw/zinc/28/91/63/836289163.db2.gz CIPYWGOCYPUICN-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087796499 836289155 /nfs/dbraw/zinc/28/91/55/836289155.db2.gz CIPYWGOCYPUICN-HZSPNIEDSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087796500 836288813 /nfs/dbraw/zinc/28/88/13/836288813.db2.gz CIPYWGOCYPUICN-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087796500 836288799 /nfs/dbraw/zinc/28/87/99/836288799.db2.gz CIPYWGOCYPUICN-MELADBBJSA-N 2 1 350.467 -0.081 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087828169 836292034 /nfs/dbraw/zinc/29/20/34/836292034.db2.gz CBFDLNXAWKDEIW-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087828169 836292027 /nfs/dbraw/zinc/29/20/27/836292027.db2.gz CBFDLNXAWKDEIW-HZSPNIEDSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087828170 836291370 /nfs/dbraw/zinc/29/13/70/836291370.db2.gz CBFDLNXAWKDEIW-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087828170 836291361 /nfs/dbraw/zinc/29/13/61/836291361.db2.gz CBFDLNXAWKDEIW-MELADBBJSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087828527 836292920 /nfs/dbraw/zinc/29/29/20/836292920.db2.gz NUYKTWFSWJMJLQ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087828527 836292916 /nfs/dbraw/zinc/29/29/16/836292916.db2.gz NUYKTWFSWJMJLQ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087828527 836292910 /nfs/dbraw/zinc/29/29/10/836292910.db2.gz NUYKTWFSWJMJLQ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087828527 836292904 /nfs/dbraw/zinc/29/29/04/836292904.db2.gz NUYKTWFSWJMJLQ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001087828527 836292893 /nfs/dbraw/zinc/29/28/93/836292893.db2.gz NUYKTWFSWJMJLQ-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087828528 836291648 /nfs/dbraw/zinc/29/16/48/836291648.db2.gz NUYKTWFSWJMJLQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087828528 836291637 /nfs/dbraw/zinc/29/16/37/836291637.db2.gz NUYKTWFSWJMJLQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087828528 836291627 /nfs/dbraw/zinc/29/16/27/836291627.db2.gz NUYKTWFSWJMJLQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087828528 836291618 /nfs/dbraw/zinc/29/16/18/836291618.db2.gz NUYKTWFSWJMJLQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001087828528 836291610 /nfs/dbraw/zinc/29/16/10/836291610.db2.gz NUYKTWFSWJMJLQ-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCn1cncn1 ZINC001087836800 836294842 /nfs/dbraw/zinc/29/48/42/836294842.db2.gz IWAPJJHSXOLGAD-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CCn1cncn1 ZINC001087836800 836294828 /nfs/dbraw/zinc/29/48/28/836294828.db2.gz IWAPJJHSXOLGAD-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CCn1cncn1 ZINC001087836800 836294816 /nfs/dbraw/zinc/29/48/16/836294816.db2.gz IWAPJJHSXOLGAD-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCn1cncn1 ZINC001087836800 836294803 /nfs/dbraw/zinc/29/48/03/836294803.db2.gz IWAPJJHSXOLGAD-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCn1cncn1 ZINC001087836801 836293196 /nfs/dbraw/zinc/29/31/96/836293196.db2.gz IWAPJJHSXOLGAD-XHSDSOJGSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CCn1cncn1 ZINC001087836801 836293189 /nfs/dbraw/zinc/29/31/89/836293189.db2.gz IWAPJJHSXOLGAD-XHSDSOJGSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CCn1cncn1 ZINC001087836801 836293179 /nfs/dbraw/zinc/29/31/79/836293179.db2.gz IWAPJJHSXOLGAD-XHSDSOJGSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCn1cncn1 ZINC001087836801 836293172 /nfs/dbraw/zinc/29/31/72/836293172.db2.gz IWAPJJHSXOLGAD-XHSDSOJGSA-N 2 1 350.467 -0.032 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1CCN1CCCS1(=O)=O ZINC001087847605 836295208 /nfs/dbraw/zinc/29/52/08/836295208.db2.gz IEAQPCVWSWLMAE-LSDHHAIUSA-N 2 1 369.491 -0.112 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CCS(C)(=O)=O)C[C@H]3C2)O1 ZINC001088012015 836317913 /nfs/dbraw/zinc/31/79/13/836317913.db2.gz OMZXFFOTVQVWSJ-LVQVYYBASA-N 2 1 373.519 -0.470 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)O1 ZINC001088012118 836318578 /nfs/dbraw/zinc/31/85/78/836318578.db2.gz TVQHFNQNGNEJPC-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)O1 ZINC001088012118 836318568 /nfs/dbraw/zinc/31/85/68/836318568.db2.gz TVQHFNQNGNEJPC-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)O1 ZINC001088012118 836318563 /nfs/dbraw/zinc/31/85/63/836318563.db2.gz TVQHFNQNGNEJPC-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)O1 ZINC001088012118 836318550 /nfs/dbraw/zinc/31/85/50/836318550.db2.gz TVQHFNQNGNEJPC-LVQVYYBASA-N 2 1 352.479 -0.426 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088081096 836341853 /nfs/dbraw/zinc/34/18/53/836341853.db2.gz ZYYBMHUNBJDGMH-OWCLPIDISA-N 2 1 352.479 -0.378 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088081097 836341740 /nfs/dbraw/zinc/34/17/40/836341740.db2.gz ZYYBMHUNBJDGMH-PMPSAXMXSA-N 2 1 352.479 -0.378 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088140537 836355647 /nfs/dbraw/zinc/35/56/47/836355647.db2.gz RBQHLHXFLVWOMP-OWCLPIDISA-N 2 1 350.463 -0.623 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088140537 836355636 /nfs/dbraw/zinc/35/56/36/836355636.db2.gz RBQHLHXFLVWOMP-OWCLPIDISA-N 2 1 350.463 -0.623 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088140538 836354887 /nfs/dbraw/zinc/35/48/87/836354887.db2.gz RBQHLHXFLVWOMP-PMPSAXMXSA-N 2 1 350.463 -0.623 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088140538 836354877 /nfs/dbraw/zinc/35/48/77/836354877.db2.gz RBQHLHXFLVWOMP-PMPSAXMXSA-N 2 1 350.463 -0.623 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140625 836355047 /nfs/dbraw/zinc/35/50/47/836355047.db2.gz WANZRFXCCOHVEM-CVEARBPZSA-N 2 1 352.479 -0.423 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140625 836355039 /nfs/dbraw/zinc/35/50/39/836355039.db2.gz WANZRFXCCOHVEM-CVEARBPZSA-N 2 1 352.479 -0.423 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140661 836354834 /nfs/dbraw/zinc/35/48/34/836354834.db2.gz XLSCYSMPQATPHR-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140661 836354826 /nfs/dbraw/zinc/35/48/26/836354826.db2.gz XLSCYSMPQATPHR-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140662 836354393 /nfs/dbraw/zinc/35/43/93/836354393.db2.gz XLSCYSMPQATPHR-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140662 836354378 /nfs/dbraw/zinc/35/43/78/836354378.db2.gz XLSCYSMPQATPHR-XHSDSOJGSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141083 836354988 /nfs/dbraw/zinc/35/49/88/836354988.db2.gz VAAMFLBUOQUJGV-OWCLPIDISA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141083 836354979 /nfs/dbraw/zinc/35/49/79/836354979.db2.gz VAAMFLBUOQUJGV-OWCLPIDISA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141084 836354236 /nfs/dbraw/zinc/35/42/36/836354236.db2.gz VAAMFLBUOQUJGV-PMPSAXMXSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141084 836354226 /nfs/dbraw/zinc/35/42/26/836354226.db2.gz VAAMFLBUOQUJGV-PMPSAXMXSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153899 836357148 /nfs/dbraw/zinc/35/71/48/836357148.db2.gz PLGHSFNSZRWJJB-KFWWJZLASA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153900 836356709 /nfs/dbraw/zinc/35/67/09/836356709.db2.gz PLGHSFNSZRWJJB-ZNMIVQPWSA-N 2 1 352.479 -0.249 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154072 836357236 /nfs/dbraw/zinc/35/72/36/836357236.db2.gz WLTXLWDRGYWVFJ-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171799 836360411 /nfs/dbraw/zinc/36/04/11/836360411.db2.gz HITYYOYBTOWAFF-CABCVRRESA-N 2 1 355.504 -0.093 20 0 FBADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171799 836360403 /nfs/dbraw/zinc/36/04/03/836360403.db2.gz HITYYOYBTOWAFF-CABCVRRESA-N 2 1 355.504 -0.093 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202298 836363689 /nfs/dbraw/zinc/36/36/89/836363689.db2.gz UIWQLDIOODPMKW-OAGGEKHMSA-N 2 1 352.479 -0.519 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202299 836364402 /nfs/dbraw/zinc/36/44/02/836364402.db2.gz UIWQLDIOODPMKW-XHSDSOJGSA-N 2 1 352.479 -0.519 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208293 836367169 /nfs/dbraw/zinc/36/71/69/836367169.db2.gz UAGBPLDLGHOYRF-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208293 836367163 /nfs/dbraw/zinc/36/71/63/836367163.db2.gz UAGBPLDLGHOYRF-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208293 836367156 /nfs/dbraw/zinc/36/71/56/836367156.db2.gz UAGBPLDLGHOYRF-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208293 836367150 /nfs/dbraw/zinc/36/71/50/836367150.db2.gz UAGBPLDLGHOYRF-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208294 836367262 /nfs/dbraw/zinc/36/72/62/836367262.db2.gz UAGBPLDLGHOYRF-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208294 836367258 /nfs/dbraw/zinc/36/72/58/836367258.db2.gz UAGBPLDLGHOYRF-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208294 836367252 /nfs/dbraw/zinc/36/72/52/836367252.db2.gz UAGBPLDLGHOYRF-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088208294 836367248 /nfs/dbraw/zinc/36/72/48/836367248.db2.gz UAGBPLDLGHOYRF-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001088493369 836423941 /nfs/dbraw/zinc/42/39/41/836423941.db2.gz IYNJQFHTVZOUHK-HZSPNIEDSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001088493369 836423936 /nfs/dbraw/zinc/42/39/36/836423936.db2.gz IYNJQFHTVZOUHK-HZSPNIEDSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001088493370 836424253 /nfs/dbraw/zinc/42/42/53/836424253.db2.gz IYNJQFHTVZOUHK-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001088493370 836424248 /nfs/dbraw/zinc/42/42/48/836424248.db2.gz IYNJQFHTVZOUHK-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001088494392 836423655 /nfs/dbraw/zinc/42/36/55/836423655.db2.gz YDLOXIDWMUFCNA-KBMXLJTQSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001088494393 836423995 /nfs/dbraw/zinc/42/39/95/836423995.db2.gz YDLOXIDWMUFCNA-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(=O)N(C)C ZINC001088574703 836450070 /nfs/dbraw/zinc/45/00/70/836450070.db2.gz LIZNDGJFNFLHSC-KGLIPLIRSA-N 2 1 350.467 -0.275 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001088574703 836450065 /nfs/dbraw/zinc/45/00/65/836450065.db2.gz LIZNDGJFNFLHSC-KGLIPLIRSA-N 2 1 350.467 -0.275 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC001088574925 836450264 /nfs/dbraw/zinc/45/02/64/836450264.db2.gz ZUPLFSFXLTXFPW-UTXMOHQDSA-N 2 1 352.479 -0.202 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC001088574925 836450252 /nfs/dbraw/zinc/45/02/52/836450252.db2.gz ZUPLFSFXLTXFPW-UTXMOHQDSA-N 2 1 352.479 -0.202 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577270 836457487 /nfs/dbraw/zinc/45/74/87/836457487.db2.gz KBTABTQGNYTILC-SYQHCUMBSA-N 2 1 351.451 -0.543 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577270 836457485 /nfs/dbraw/zinc/45/74/85/836457485.db2.gz KBTABTQGNYTILC-SYQHCUMBSA-N 2 1 351.451 -0.543 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577270 836457479 /nfs/dbraw/zinc/45/74/79/836457479.db2.gz KBTABTQGNYTILC-SYQHCUMBSA-N 2 1 351.451 -0.543 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088577878 836458422 /nfs/dbraw/zinc/45/84/22/836458422.db2.gz UMNFRHDZUWTZIA-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088577878 836458420 /nfs/dbraw/zinc/45/84/20/836458420.db2.gz UMNFRHDZUWTZIA-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577878 836458417 /nfs/dbraw/zinc/45/84/17/836458417.db2.gz UMNFRHDZUWTZIA-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577878 836458413 /nfs/dbraw/zinc/45/84/13/836458413.db2.gz UMNFRHDZUWTZIA-FPCVCCKLSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[NH+]1C ZINC001088578037 836458184 /nfs/dbraw/zinc/45/81/84/836458184.db2.gz CFRACSUQUCTUSY-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[NH+]1C ZINC001088578037 836458182 /nfs/dbraw/zinc/45/81/82/836458182.db2.gz CFRACSUQUCTUSY-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001088578037 836458175 /nfs/dbraw/zinc/45/81/75/836458175.db2.gz CFRACSUQUCTUSY-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001088578037 836458167 /nfs/dbraw/zinc/45/81/67/836458167.db2.gz CFRACSUQUCTUSY-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619467 836491541 /nfs/dbraw/zinc/49/15/41/836491541.db2.gz NIHYYVDQMPWTKC-KBMXLJTQSA-N 2 1 352.479 -0.045 20 0 FBADMP CNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619468 836491840 /nfs/dbraw/zinc/49/18/40/836491840.db2.gz NIHYYVDQMPWTKC-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCNC1=O ZINC001088658399 836499859 /nfs/dbraw/zinc/49/98/59/836499859.db2.gz XYZDDXRDZWLCDA-APIJFGDWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCNC1=O ZINC001088658399 836499856 /nfs/dbraw/zinc/49/98/56/836499856.db2.gz XYZDDXRDZWLCDA-APIJFGDWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCN1CCNC1=O ZINC001088658399 836499850 /nfs/dbraw/zinc/49/98/50/836499850.db2.gz XYZDDXRDZWLCDA-APIJFGDWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCN1CCNC1=O ZINC001088658399 836499847 /nfs/dbraw/zinc/49/98/47/836499847.db2.gz XYZDDXRDZWLCDA-APIJFGDWSA-N 2 1 353.467 -0.690 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCCC1=O ZINC001088658546 836500743 /nfs/dbraw/zinc/50/07/43/836500743.db2.gz HOKGBIBAGKZHFV-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCCC1=O ZINC001088658546 836500736 /nfs/dbraw/zinc/50/07/36/836500736.db2.gz HOKGBIBAGKZHFV-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCN1CCCC1=O ZINC001088658546 836500725 /nfs/dbraw/zinc/50/07/25/836500725.db2.gz HOKGBIBAGKZHFV-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCN1CCCC1=O ZINC001088658546 836500715 /nfs/dbraw/zinc/50/07/15/836500715.db2.gz HOKGBIBAGKZHFV-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)N(C)C ZINC001088756975 836526070 /nfs/dbraw/zinc/52/60/70/836526070.db2.gz BZMGWCSPFZAJLN-JFCYDTCASA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)N(C)C ZINC001088756975 836526064 /nfs/dbraw/zinc/52/60/64/836526064.db2.gz BZMGWCSPFZAJLN-JFCYDTCASA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC(=O)N(C)C ZINC001088756975 836526058 /nfs/dbraw/zinc/52/60/58/836526058.db2.gz BZMGWCSPFZAJLN-JFCYDTCASA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC(=O)N(C)C ZINC001088756975 836526053 /nfs/dbraw/zinc/52/60/53/836526053.db2.gz BZMGWCSPFZAJLN-JFCYDTCASA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)N(C)C ZINC001088756976 836525815 /nfs/dbraw/zinc/52/58/15/836525815.db2.gz BZMGWCSPFZAJLN-MAKNJDEBSA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(=O)N(C)C ZINC001088756976 836525810 /nfs/dbraw/zinc/52/58/10/836525810.db2.gz BZMGWCSPFZAJLN-MAKNJDEBSA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC(=O)N(C)C ZINC001088756976 836525799 /nfs/dbraw/zinc/52/57/99/836525799.db2.gz BZMGWCSPFZAJLN-MAKNJDEBSA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC(=O)N(C)C ZINC001088756976 836525787 /nfs/dbraw/zinc/52/57/87/836525787.db2.gz BZMGWCSPFZAJLN-MAKNJDEBSA-N 2 1 350.463 -0.483 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001088794432 836533082 /nfs/dbraw/zinc/53/30/82/836533082.db2.gz DJFCNRCMVXDMMH-FXUDXRNXSA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815588 836539154 /nfs/dbraw/zinc/53/91/54/836539154.db2.gz WKAXOGBDUYRQEO-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815588 836539149 /nfs/dbraw/zinc/53/91/49/836539149.db2.gz WKAXOGBDUYRQEO-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815588 836539144 /nfs/dbraw/zinc/53/91/44/836539144.db2.gz WKAXOGBDUYRQEO-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815588 836539140 /nfs/dbraw/zinc/53/91/40/836539140.db2.gz WKAXOGBDUYRQEO-OWCLPIDISA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815589 836539237 /nfs/dbraw/zinc/53/92/37/836539237.db2.gz WKAXOGBDUYRQEO-PMPSAXMXSA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815589 836539234 /nfs/dbraw/zinc/53/92/34/836539234.db2.gz WKAXOGBDUYRQEO-PMPSAXMXSA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815589 836539227 /nfs/dbraw/zinc/53/92/27/836539227.db2.gz WKAXOGBDUYRQEO-PMPSAXMXSA-N 2 1 350.467 -0.034 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)[C@@H]2C)C1 ZINC001088815589 836539224 /nfs/dbraw/zinc/53/92/24/836539224.db2.gz WKAXOGBDUYRQEO-PMPSAXMXSA-N 2 1 350.467 -0.034 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088835532 836580630 /nfs/dbraw/zinc/58/06/30/836580630.db2.gz BBJAUJAQXJYWBB-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088835532 836580623 /nfs/dbraw/zinc/58/06/23/836580623.db2.gz BBJAUJAQXJYWBB-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088836455 836587111 /nfs/dbraw/zinc/58/71/11/836587111.db2.gz YOFUGGWFMQBLIA-OCCSQVGLSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088857929 836911853 /nfs/dbraw/zinc/91/18/53/836911853.db2.gz JILYTXRXAUPYGM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1CC(=O)N1CCOCC1 ZINC001088857930 836912008 /nfs/dbraw/zinc/91/20/08/836912008.db2.gz JILYTXRXAUPYGM-XHSDSOJGSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001088858220 836911580 /nfs/dbraw/zinc/91/15/80/836911580.db2.gz TWUVKKBSUBCZCJ-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088858221 836911416 /nfs/dbraw/zinc/91/14/16/836911416.db2.gz TWUVKKBSUBCZCJ-MJBXVCDLSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C)C1 ZINC001088859417 836913438 /nfs/dbraw/zinc/91/34/38/836913438.db2.gz BJWUUUDCDAKXGB-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088859418 836912729 /nfs/dbraw/zinc/91/27/29/836912729.db2.gz BJWUUUDCDAKXGB-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1CC(=O)N(C)C ZINC001088912760 836926730 /nfs/dbraw/zinc/92/67/30/836926730.db2.gz PVXRIZRKRMQSNZ-HIFRSBDPSA-N 2 1 350.467 -0.275 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CC(=O)N(C)C ZINC001088912760 836926724 /nfs/dbraw/zinc/92/67/24/836926724.db2.gz PVXRIZRKRMQSNZ-HIFRSBDPSA-N 2 1 350.467 -0.275 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088980843 836934664 /nfs/dbraw/zinc/93/46/64/836934664.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088980843 836934661 /nfs/dbraw/zinc/93/46/61/836934661.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088980843 836934655 /nfs/dbraw/zinc/93/46/55/836934655.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088980843 836934650 /nfs/dbraw/zinc/93/46/50/836934650.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088980843 836934645 /nfs/dbraw/zinc/93/46/45/836934645.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088980844 836934752 /nfs/dbraw/zinc/93/47/52/836934752.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088980844 836934748 /nfs/dbraw/zinc/93/47/48/836934748.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088980844 836934744 /nfs/dbraw/zinc/93/47/44/836934744.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088980844 836934741 /nfs/dbraw/zinc/93/47/41/836934741.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088980844 836934736 /nfs/dbraw/zinc/93/47/36/836934736.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088981231 836935068 /nfs/dbraw/zinc/93/50/68/836935068.db2.gz JGNIMUVIUAXMAY-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088981232 836935169 /nfs/dbraw/zinc/93/51/69/836935169.db2.gz JGNIMUVIUAXMAY-RDBSUJKOSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088983578 836935939 /nfs/dbraw/zinc/93/59/39/836935939.db2.gz DZNQDEFJLWVAOZ-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088983578 836935935 /nfs/dbraw/zinc/93/59/35/836935935.db2.gz DZNQDEFJLWVAOZ-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCN1CCCS1(=O)=O ZINC001088983746 836936042 /nfs/dbraw/zinc/93/60/42/836936042.db2.gz MLERLSWRAUQCCY-CABCVRRESA-N 2 1 370.519 -0.303 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001088983746 836936039 /nfs/dbraw/zinc/93/60/39/836936039.db2.gz MLERLSWRAUQCCY-CABCVRRESA-N 2 1 370.519 -0.303 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001089037494 836942028 /nfs/dbraw/zinc/94/20/28/836942028.db2.gz GUELGYJWZIRABE-FMKPAKJESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001089037494 836942023 /nfs/dbraw/zinc/94/20/23/836942023.db2.gz GUELGYJWZIRABE-FMKPAKJESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001089037494 836942011 /nfs/dbraw/zinc/94/20/11/836942011.db2.gz GUELGYJWZIRABE-FMKPAKJESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001089037494 836941999 /nfs/dbraw/zinc/94/19/99/836941999.db2.gz GUELGYJWZIRABE-FMKPAKJESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001089037495 836942794 /nfs/dbraw/zinc/94/27/94/836942794.db2.gz GUELGYJWZIRABE-YCPHGPKFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001089037495 836942784 /nfs/dbraw/zinc/94/27/84/836942784.db2.gz GUELGYJWZIRABE-YCPHGPKFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001089037495 836942771 /nfs/dbraw/zinc/94/27/71/836942771.db2.gz GUELGYJWZIRABE-YCPHGPKFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001089037495 836942761 /nfs/dbraw/zinc/94/27/61/836942761.db2.gz GUELGYJWZIRABE-YCPHGPKFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001089038115 836942698 /nfs/dbraw/zinc/94/26/98/836942698.db2.gz DUCWEMJVKNVWCZ-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001089038306 836942466 /nfs/dbraw/zinc/94/24/66/836942466.db2.gz NZKBNAJJWAYWKC-KGLIPLIRSA-N 2 1 351.451 -0.397 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCCS1(=O)=O ZINC001089038541 836942289 /nfs/dbraw/zinc/94/22/89/836942289.db2.gz BHLPHJIPYCFPPD-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCCS1(=O)=O ZINC001089038541 836942286 /nfs/dbraw/zinc/94/22/86/836942286.db2.gz BHLPHJIPYCFPPD-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC001089038541 836942281 /nfs/dbraw/zinc/94/22/81/836942281.db2.gz BHLPHJIPYCFPPD-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001089038541 836942277 /nfs/dbraw/zinc/94/22/77/836942277.db2.gz BHLPHJIPYCFPPD-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCCS1(=O)=O ZINC001089038542 836942647 /nfs/dbraw/zinc/94/26/47/836942647.db2.gz BHLPHJIPYCFPPD-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCCS1(=O)=O ZINC001089038542 836942635 /nfs/dbraw/zinc/94/26/35/836942635.db2.gz BHLPHJIPYCFPPD-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC001089038542 836942625 /nfs/dbraw/zinc/94/26/25/836942625.db2.gz BHLPHJIPYCFPPD-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001089038542 836942621 /nfs/dbraw/zinc/94/26/21/836942621.db2.gz BHLPHJIPYCFPPD-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001089039166 836942126 /nfs/dbraw/zinc/94/21/26/836942126.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001089039166 836942115 /nfs/dbraw/zinc/94/21/15/836942115.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001089039166 836942104 /nfs/dbraw/zinc/94/21/04/836942104.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001089039167 836942536 /nfs/dbraw/zinc/94/25/36/836942536.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001089039167 836942532 /nfs/dbraw/zinc/94/25/32/836942532.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001089039167 836942523 /nfs/dbraw/zinc/94/25/23/836942523.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 2 1 351.451 -0.541 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049964 836946570 /nfs/dbraw/zinc/94/65/70/836946570.db2.gz KOAXQNOCTCAZSO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049964 836946558 /nfs/dbraw/zinc/94/65/58/836946558.db2.gz KOAXQNOCTCAZSO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049964 836946544 /nfs/dbraw/zinc/94/65/44/836946544.db2.gz KOAXQNOCTCAZSO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049964 836946533 /nfs/dbraw/zinc/94/65/33/836946533.db2.gz KOAXQNOCTCAZSO-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049965 836946808 /nfs/dbraw/zinc/94/68/08/836946808.db2.gz KOAXQNOCTCAZSO-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049965 836946800 /nfs/dbraw/zinc/94/68/00/836946800.db2.gz KOAXQNOCTCAZSO-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049965 836946792 /nfs/dbraw/zinc/94/67/92/836946792.db2.gz KOAXQNOCTCAZSO-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049965 836946786 /nfs/dbraw/zinc/94/67/86/836946786.db2.gz KOAXQNOCTCAZSO-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053041 836948129 /nfs/dbraw/zinc/94/81/29/836948129.db2.gz IQVCIGQKRITUQU-ILXRZTDVSA-N 2 1 353.467 -0.689 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053041 836948123 /nfs/dbraw/zinc/94/81/23/836948123.db2.gz IQVCIGQKRITUQU-ILXRZTDVSA-N 2 1 353.467 -0.689 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053041 836948112 /nfs/dbraw/zinc/94/81/12/836948112.db2.gz IQVCIGQKRITUQU-ILXRZTDVSA-N 2 1 353.467 -0.689 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053041 836948106 /nfs/dbraw/zinc/94/81/06/836948106.db2.gz IQVCIGQKRITUQU-ILXRZTDVSA-N 2 1 353.467 -0.689 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053042 836948400 /nfs/dbraw/zinc/94/84/00/836948400.db2.gz IQVCIGQKRITUQU-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053042 836948389 /nfs/dbraw/zinc/94/83/89/836948389.db2.gz IQVCIGQKRITUQU-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053042 836948382 /nfs/dbraw/zinc/94/83/82/836948382.db2.gz IQVCIGQKRITUQU-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053042 836948376 /nfs/dbraw/zinc/94/83/76/836948376.db2.gz IQVCIGQKRITUQU-QLFBSQMISA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941354 837369393 /nfs/dbraw/zinc/36/93/93/837369393.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941354 837369388 /nfs/dbraw/zinc/36/93/88/837369388.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941354 837369378 /nfs/dbraw/zinc/36/93/78/837369378.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941354 837369367 /nfs/dbraw/zinc/36/93/67/837369367.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941354 837369365 /nfs/dbraw/zinc/36/93/65/837369365.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941356 837369605 /nfs/dbraw/zinc/36/96/05/837369605.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941356 837369596 /nfs/dbraw/zinc/36/95/96/837369596.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941356 837369591 /nfs/dbraw/zinc/36/95/91/837369591.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941356 837369586 /nfs/dbraw/zinc/36/95/86/837369586.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941356 837369578 /nfs/dbraw/zinc/36/95/78/837369578.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944352 837372857 /nfs/dbraw/zinc/37/28/57/837372857.db2.gz BWQPHRJJEJEPND-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944352 837372847 /nfs/dbraw/zinc/37/28/47/837372847.db2.gz BWQPHRJJEJEPND-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944352 837372838 /nfs/dbraw/zinc/37/28/38/837372838.db2.gz BWQPHRJJEJEPND-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944352 837372830 /nfs/dbraw/zinc/37/28/30/837372830.db2.gz BWQPHRJJEJEPND-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944353 837372626 /nfs/dbraw/zinc/37/26/26/837372626.db2.gz BWQPHRJJEJEPND-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944353 837372617 /nfs/dbraw/zinc/37/26/17/837372617.db2.gz BWQPHRJJEJEPND-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944353 837372607 /nfs/dbraw/zinc/37/26/07/837372607.db2.gz BWQPHRJJEJEPND-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)O1 ZINC001089944353 837372600 /nfs/dbraw/zinc/37/26/00/837372600.db2.gz BWQPHRJJEJEPND-OWCLPIDISA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001090900061 839810726 /nfs/dbraw/zinc/81/07/26/839810726.db2.gz IABNPVZUWLDEMH-HUUCEWRRSA-N 2 1 351.451 -0.009 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001091037216 839833459 /nfs/dbraw/zinc/83/34/59/839833459.db2.gz GCPPJRWKQCDGFV-XSCHDIRWSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001091037221 839833207 /nfs/dbraw/zinc/83/32/07/839833207.db2.gz GGYBOGUWJDDRMJ-PRLABOORSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001091037259 839833377 /nfs/dbraw/zinc/83/33/77/839833377.db2.gz HLGGEFQQDHVBFM-BLYZHGLHSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001091093702 839850098 /nfs/dbraw/zinc/85/00/98/839850098.db2.gz JZHVXAFYQYYDNK-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001091093702 839850093 /nfs/dbraw/zinc/85/00/93/839850093.db2.gz JZHVXAFYQYYDNK-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCN3CCCC3=O)C2)O1 ZINC001091094028 839849821 /nfs/dbraw/zinc/84/98/21/839849821.db2.gz SVKADTDSUCBBIC-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCN3CCCC3=O)C2)O1 ZINC001091094028 839849810 /nfs/dbraw/zinc/84/98/10/839849810.db2.gz SVKADTDSUCBBIC-PRLABOORSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)O1 ZINC001091096853 839858395 /nfs/dbraw/zinc/85/83/95/839858395.db2.gz BHRCSTXKDZOFMB-XSCHDIRWSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)O1 ZINC001091096853 839858388 /nfs/dbraw/zinc/85/83/88/839858388.db2.gz BHRCSTXKDZOFMB-XSCHDIRWSA-N 2 1 353.467 -0.785 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)O1 ZINC001091783042 839999995 /nfs/dbraw/zinc/99/99/95/839999995.db2.gz RGUINCFFAKIGOD-ADAWSYLGSA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)O1 ZINC001091783042 839999987 /nfs/dbraw/zinc/99/99/87/839999987.db2.gz RGUINCFFAKIGOD-ADAWSYLGSA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)O1 ZINC001091783042 839999978 /nfs/dbraw/zinc/99/99/78/839999978.db2.gz RGUINCFFAKIGOD-ADAWSYLGSA-N 2 1 352.479 -0.426 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)O1 ZINC001091783042 839999966 /nfs/dbraw/zinc/99/99/66/839999966.db2.gz RGUINCFFAKIGOD-ADAWSYLGSA-N 2 1 352.479 -0.426 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091784350 839997125 /nfs/dbraw/zinc/99/71/25/839997125.db2.gz XSFMUYNVXMXNPH-KDOFPFPSSA-N 2 1 352.479 -0.390 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099294 840018926 /nfs/dbraw/zinc/01/89/26/840018926.db2.gz OSUNHBZYZIHXLY-DAYGRLMNSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099294 840018921 /nfs/dbraw/zinc/01/89/21/840018921.db2.gz OSUNHBZYZIHXLY-DAYGRLMNSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099295 840019315 /nfs/dbraw/zinc/01/93/15/840019315.db2.gz OSUNHBZYZIHXLY-RKVPGOIHSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099295 840019311 /nfs/dbraw/zinc/01/93/11/840019311.db2.gz OSUNHBZYZIHXLY-RKVPGOIHSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099561 840019204 /nfs/dbraw/zinc/01/92/04/840019204.db2.gz XUVLIJORMJHGTL-RKVPGOIHSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099561 840019197 /nfs/dbraw/zinc/01/91/97/840019197.db2.gz XUVLIJORMJHGTL-RKVPGOIHSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099562 840018594 /nfs/dbraw/zinc/01/85/94/840018594.db2.gz XUVLIJORMJHGTL-VKJFTORMSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099562 840018590 /nfs/dbraw/zinc/01/85/90/840018590.db2.gz XUVLIJORMJHGTL-VKJFTORMSA-N 2 1 352.479 -0.247 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101508 840018781 /nfs/dbraw/zinc/01/87/81/840018781.db2.gz HEFWNWFFUCLCPM-QAPCUYQASA-N 2 1 352.479 -0.423 20 0 FBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101508 840018773 /nfs/dbraw/zinc/01/87/73/840018773.db2.gz HEFWNWFFUCLCPM-QAPCUYQASA-N 2 1 352.479 -0.423 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001092101930 840018974 /nfs/dbraw/zinc/01/89/74/840018974.db2.gz QDKMQFFHCADJBT-RKVPGOIHSA-N 2 1 350.463 -0.623 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001092101930 840018967 /nfs/dbraw/zinc/01/89/67/840018967.db2.gz QDKMQFFHCADJBT-RKVPGOIHSA-N 2 1 350.463 -0.623 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001092101934 840018366 /nfs/dbraw/zinc/01/83/66/840018366.db2.gz QDKMQFFHCADJBT-VKJFTORMSA-N 2 1 350.463 -0.623 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001092101934 840018359 /nfs/dbraw/zinc/01/83/59/840018359.db2.gz QDKMQFFHCADJBT-VKJFTORMSA-N 2 1 350.463 -0.623 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092144687 840020695 /nfs/dbraw/zinc/02/06/95/840020695.db2.gz ZAOJXSDKAMUGAV-KDOFPFPSSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092146194 840020248 /nfs/dbraw/zinc/02/02/48/840020248.db2.gz YYWMCBMRNSASLI-IYOUNJFTSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092146195 840020836 /nfs/dbraw/zinc/02/08/36/840020836.db2.gz YYWMCBMRNSASLI-LBTNJELSSA-N 2 1 352.479 -0.249 20 0 FBADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001092203449 840021404 /nfs/dbraw/zinc/02/14/04/840021404.db2.gz QRIGNOLXNIGMCO-ZBFHGGJFSA-N 2 1 355.504 -0.093 20 0 FBADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001092203449 840021400 /nfs/dbraw/zinc/02/14/00/840021400.db2.gz QRIGNOLXNIGMCO-ZBFHGGJFSA-N 2 1 355.504 -0.093 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276280 840022344 /nfs/dbraw/zinc/02/23/44/840022344.db2.gz JTYJENDRSKXULO-DAYGRLMNSA-N 2 1 352.479 -0.519 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276281 840022464 /nfs/dbraw/zinc/02/24/64/840022464.db2.gz JTYJENDRSKXULO-RKVPGOIHSA-N 2 1 352.479 -0.519 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286897 840027735 /nfs/dbraw/zinc/02/77/35/840027735.db2.gz OUVCWKNSNLFVHK-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286897 840027731 /nfs/dbraw/zinc/02/77/31/840027731.db2.gz OUVCWKNSNLFVHK-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286897 840027729 /nfs/dbraw/zinc/02/77/29/840027729.db2.gz OUVCWKNSNLFVHK-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286897 840027724 /nfs/dbraw/zinc/02/77/24/840027724.db2.gz OUVCWKNSNLFVHK-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286898 840027997 /nfs/dbraw/zinc/02/79/97/840027997.db2.gz OUVCWKNSNLFVHK-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286898 840027990 /nfs/dbraw/zinc/02/79/90/840027990.db2.gz OUVCWKNSNLFVHK-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286898 840027982 /nfs/dbraw/zinc/02/79/82/840027982.db2.gz OUVCWKNSNLFVHK-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001092286898 840027977 /nfs/dbraw/zinc/02/79/77/840027977.db2.gz OUVCWKNSNLFVHK-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505677 840036759 /nfs/dbraw/zinc/03/67/59/840036759.db2.gz VIHQCXUDKLOGGX-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505677 840036752 /nfs/dbraw/zinc/03/67/52/840036752.db2.gz VIHQCXUDKLOGGX-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505677 840036744 /nfs/dbraw/zinc/03/67/44/840036744.db2.gz VIHQCXUDKLOGGX-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505678 840036839 /nfs/dbraw/zinc/03/68/39/840036839.db2.gz VIHQCXUDKLOGGX-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505678 840036821 /nfs/dbraw/zinc/03/68/21/840036821.db2.gz VIHQCXUDKLOGGX-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505678 840036815 /nfs/dbraw/zinc/03/68/15/840036815.db2.gz VIHQCXUDKLOGGX-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092510317 840036374 /nfs/dbraw/zinc/03/63/74/840036374.db2.gz PGIVPZSCHVCIBQ-KFWWJZLASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092510317 840036368 /nfs/dbraw/zinc/03/63/68/840036368.db2.gz PGIVPZSCHVCIBQ-KFWWJZLASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510317 840036362 /nfs/dbraw/zinc/03/63/62/840036362.db2.gz PGIVPZSCHVCIBQ-KFWWJZLASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092510320 840036418 /nfs/dbraw/zinc/03/64/18/840036418.db2.gz PGIVPZSCHVCIBQ-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092510320 840036412 /nfs/dbraw/zinc/03/64/12/840036412.db2.gz PGIVPZSCHVCIBQ-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510320 840036407 /nfs/dbraw/zinc/03/64/07/840036407.db2.gz PGIVPZSCHVCIBQ-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092510776 840037125 /nfs/dbraw/zinc/03/71/25/840037125.db2.gz ZDTWVXAMBGNEFZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092510776 840037114 /nfs/dbraw/zinc/03/71/14/840037114.db2.gz ZDTWVXAMBGNEFZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510776 840037111 /nfs/dbraw/zinc/03/71/11/840037111.db2.gz ZDTWVXAMBGNEFZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092510778 840037416 /nfs/dbraw/zinc/03/74/16/840037416.db2.gz ZDTWVXAMBGNEFZ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092510778 840037408 /nfs/dbraw/zinc/03/74/08/840037408.db2.gz ZDTWVXAMBGNEFZ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510778 840037398 /nfs/dbraw/zinc/03/73/98/840037398.db2.gz ZDTWVXAMBGNEFZ-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521799 840038654 /nfs/dbraw/zinc/03/86/54/840038654.db2.gz DVFLXJHQIVTUAS-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521799 840038642 /nfs/dbraw/zinc/03/86/42/840038642.db2.gz DVFLXJHQIVTUAS-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521799 840038636 /nfs/dbraw/zinc/03/86/36/840038636.db2.gz DVFLXJHQIVTUAS-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521799 840038630 /nfs/dbraw/zinc/03/86/30/840038630.db2.gz DVFLXJHQIVTUAS-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521800 840038852 /nfs/dbraw/zinc/03/88/52/840038852.db2.gz DVFLXJHQIVTUAS-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521800 840038842 /nfs/dbraw/zinc/03/88/42/840038842.db2.gz DVFLXJHQIVTUAS-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521800 840038834 /nfs/dbraw/zinc/03/88/34/840038834.db2.gz DVFLXJHQIVTUAS-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521800 840038825 /nfs/dbraw/zinc/03/88/25/840038825.db2.gz DVFLXJHQIVTUAS-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522003 840038128 /nfs/dbraw/zinc/03/81/28/840038128.db2.gz IQXJXUWVSZDZDB-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522003 840038121 /nfs/dbraw/zinc/03/81/21/840038121.db2.gz IQXJXUWVSZDZDB-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522003 840038114 /nfs/dbraw/zinc/03/81/14/840038114.db2.gz IQXJXUWVSZDZDB-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522003 840038108 /nfs/dbraw/zinc/03/81/08/840038108.db2.gz IQXJXUWVSZDZDB-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522004 840038041 /nfs/dbraw/zinc/03/80/41/840038041.db2.gz IQXJXUWVSZDZDB-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522004 840038032 /nfs/dbraw/zinc/03/80/32/840038032.db2.gz IQXJXUWVSZDZDB-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522004 840038022 /nfs/dbraw/zinc/03/80/22/840038022.db2.gz IQXJXUWVSZDZDB-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522004 840038016 /nfs/dbraw/zinc/03/80/16/840038016.db2.gz IQXJXUWVSZDZDB-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523328 840038719 /nfs/dbraw/zinc/03/87/19/840038719.db2.gz GNQRZWWKNNOTFC-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523328 840038710 /nfs/dbraw/zinc/03/87/10/840038710.db2.gz GNQRZWWKNNOTFC-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523328 840038700 /nfs/dbraw/zinc/03/87/00/840038700.db2.gz GNQRZWWKNNOTFC-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523328 840038692 /nfs/dbraw/zinc/03/86/92/840038692.db2.gz GNQRZWWKNNOTFC-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523329 840038259 /nfs/dbraw/zinc/03/82/59/840038259.db2.gz GNQRZWWKNNOTFC-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523329 840038252 /nfs/dbraw/zinc/03/82/52/840038252.db2.gz GNQRZWWKNNOTFC-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523329 840038242 /nfs/dbraw/zinc/03/82/42/840038242.db2.gz GNQRZWWKNNOTFC-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523329 840038236 /nfs/dbraw/zinc/03/82/36/840038236.db2.gz GNQRZWWKNNOTFC-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523612 840039186 /nfs/dbraw/zinc/03/91/86/840039186.db2.gz KNILQEHOJSGSFJ-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523612 840039181 /nfs/dbraw/zinc/03/91/81/840039181.db2.gz KNILQEHOJSGSFJ-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523612 840039175 /nfs/dbraw/zinc/03/91/75/840039175.db2.gz KNILQEHOJSGSFJ-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523612 840039168 /nfs/dbraw/zinc/03/91/68/840039168.db2.gz KNILQEHOJSGSFJ-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523614 840038795 /nfs/dbraw/zinc/03/87/95/840038795.db2.gz KNILQEHOJSGSFJ-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523614 840038787 /nfs/dbraw/zinc/03/87/87/840038787.db2.gz KNILQEHOJSGSFJ-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523614 840038778 /nfs/dbraw/zinc/03/87/78/840038778.db2.gz KNILQEHOJSGSFJ-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523614 840038770 /nfs/dbraw/zinc/03/87/70/840038770.db2.gz KNILQEHOJSGSFJ-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614827 840044617 /nfs/dbraw/zinc/04/46/17/840044617.db2.gz XMEVCGINLDTBGX-ZIAGYGMSSA-N 2 1 350.467 -0.512 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615197 840044223 /nfs/dbraw/zinc/04/42/23/840044223.db2.gz BEJHYVKEQYAVTH-HZSPNIEDSA-N 2 1 350.467 -0.384 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615200 840044383 /nfs/dbraw/zinc/04/43/83/840044383.db2.gz BEJHYVKEQYAVTH-MGPQQGTHSA-N 2 1 350.467 -0.384 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@H+]1C ZINC001092620325 840046440 /nfs/dbraw/zinc/04/64/40/840046440.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 2 1 350.467 -0.367 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@@H+]1C ZINC001092620325 840046431 /nfs/dbraw/zinc/04/64/31/840046431.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 2 1 350.467 -0.367 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001092620325 840046422 /nfs/dbraw/zinc/04/64/22/840046422.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 2 1 350.467 -0.367 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001092675480 840048316 /nfs/dbraw/zinc/04/83/16/840048316.db2.gz ININXZWBTMGRJN-FMKPAKJESA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001092675480 840048309 /nfs/dbraw/zinc/04/83/09/840048309.db2.gz ININXZWBTMGRJN-FMKPAKJESA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001092675480 840048299 /nfs/dbraw/zinc/04/82/99/840048299.db2.gz ININXZWBTMGRJN-FMKPAKJESA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001092675481 840047856 /nfs/dbraw/zinc/04/78/56/840047856.db2.gz ININXZWBTMGRJN-IIAWOOMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001092675481 840047846 /nfs/dbraw/zinc/04/78/46/840047846.db2.gz ININXZWBTMGRJN-IIAWOOMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001092675481 840047840 /nfs/dbraw/zinc/04/78/40/840047840.db2.gz ININXZWBTMGRJN-IIAWOOMASA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724489 840050585 /nfs/dbraw/zinc/05/05/85/840050585.db2.gz OGWWZHPHVWSJPM-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724489 840050577 /nfs/dbraw/zinc/05/05/77/840050577.db2.gz OGWWZHPHVWSJPM-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724489 840050569 /nfs/dbraw/zinc/05/05/69/840050569.db2.gz OGWWZHPHVWSJPM-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724489 840050564 /nfs/dbraw/zinc/05/05/64/840050564.db2.gz OGWWZHPHVWSJPM-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725190 840050220 /nfs/dbraw/zinc/05/02/20/840050220.db2.gz AFEUWZFOEBSRJE-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725190 840050214 /nfs/dbraw/zinc/05/02/14/840050214.db2.gz AFEUWZFOEBSRJE-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725190 840050204 /nfs/dbraw/zinc/05/02/04/840050204.db2.gz AFEUWZFOEBSRJE-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725190 840050192 /nfs/dbraw/zinc/05/01/92/840050192.db2.gz AFEUWZFOEBSRJE-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725593 840049325 /nfs/dbraw/zinc/04/93/25/840049325.db2.gz RIUSMDYWJLCAER-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725593 840049315 /nfs/dbraw/zinc/04/93/15/840049315.db2.gz RIUSMDYWJLCAER-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725593 840049309 /nfs/dbraw/zinc/04/93/09/840049309.db2.gz RIUSMDYWJLCAER-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725593 840049299 /nfs/dbraw/zinc/04/92/99/840049299.db2.gz RIUSMDYWJLCAER-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725763 840051677 /nfs/dbraw/zinc/05/16/77/840051677.db2.gz ZQOLPYWVHOZDDV-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725763 840051673 /nfs/dbraw/zinc/05/16/73/840051673.db2.gz ZQOLPYWVHOZDDV-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725763 840051667 /nfs/dbraw/zinc/05/16/67/840051667.db2.gz ZQOLPYWVHOZDDV-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725763 840051665 /nfs/dbraw/zinc/05/16/65/840051665.db2.gz ZQOLPYWVHOZDDV-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056832 /nfs/dbraw/zinc/05/68/32/840056832.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056821 /nfs/dbraw/zinc/05/68/21/840056821.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056813 /nfs/dbraw/zinc/05/68/13/840056813.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057134 /nfs/dbraw/zinc/05/71/34/840057134.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057124 /nfs/dbraw/zinc/05/71/24/840057124.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057113 /nfs/dbraw/zinc/05/71/13/840057113.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 2 1 350.463 -0.720 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910835 840061715 /nfs/dbraw/zinc/06/17/15/840061715.db2.gz KAWFUPORYNALPW-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910835 840061705 /nfs/dbraw/zinc/06/17/05/840061705.db2.gz KAWFUPORYNALPW-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910835 840061694 /nfs/dbraw/zinc/06/16/94/840061694.db2.gz KAWFUPORYNALPW-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910836 840061340 /nfs/dbraw/zinc/06/13/40/840061340.db2.gz KAWFUPORYNALPW-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910836 840061336 /nfs/dbraw/zinc/06/13/36/840061336.db2.gz KAWFUPORYNALPW-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910836 840061332 /nfs/dbraw/zinc/06/13/32/840061332.db2.gz KAWFUPORYNALPW-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931691 840065956 /nfs/dbraw/zinc/06/59/56/840065956.db2.gz VSOOKZYJLDORAC-TZMCWYRMSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937893 840066522 /nfs/dbraw/zinc/06/65/22/840066522.db2.gz YZCALOOTLFKRKY-BPLDGKMQSA-N 2 1 350.463 -0.183 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937895 840068098 /nfs/dbraw/zinc/06/80/98/840068098.db2.gz YZCALOOTLFKRKY-YUELXQCFSA-N 2 1 350.463 -0.183 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040048 840075902 /nfs/dbraw/zinc/07/59/02/840075902.db2.gz FFBWAPPIWOTVOA-ZIAGYGMSSA-N 2 1 350.467 -0.512 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040810 840076313 /nfs/dbraw/zinc/07/63/13/840076313.db2.gz VQUHJMNZDIFUTF-HZSPNIEDSA-N 2 1 350.467 -0.384 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040811 840076278 /nfs/dbraw/zinc/07/62/78/840076278.db2.gz VQUHJMNZDIFUTF-MGPQQGTHSA-N 2 1 350.467 -0.384 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195157 840080912 /nfs/dbraw/zinc/08/09/12/840080912.db2.gz MDYGVJMPSLEQER-HZSPNIEDSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195157 840080906 /nfs/dbraw/zinc/08/09/06/840080906.db2.gz MDYGVJMPSLEQER-HZSPNIEDSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195157 840080896 /nfs/dbraw/zinc/08/08/96/840080896.db2.gz MDYGVJMPSLEQER-HZSPNIEDSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195158 840080878 /nfs/dbraw/zinc/08/08/78/840080878.db2.gz MDYGVJMPSLEQER-MGPQQGTHSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195158 840080870 /nfs/dbraw/zinc/08/08/70/840080870.db2.gz MDYGVJMPSLEQER-MGPQQGTHSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195158 840080864 /nfs/dbraw/zinc/08/08/64/840080864.db2.gz MDYGVJMPSLEQER-MGPQQGTHSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195379 840080587 /nfs/dbraw/zinc/08/05/87/840080587.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195379 840080581 /nfs/dbraw/zinc/08/05/81/840080581.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195379 840080574 /nfs/dbraw/zinc/08/05/74/840080574.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195380 840080829 /nfs/dbraw/zinc/08/08/29/840080829.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195380 840080822 /nfs/dbraw/zinc/08/08/22/840080822.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195380 840080813 /nfs/dbraw/zinc/08/08/13/840080813.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093197499 840080196 /nfs/dbraw/zinc/08/01/96/840080196.db2.gz SLTXZVPIZHSPCS-QLFBSQMISA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093197499 840080187 /nfs/dbraw/zinc/08/01/87/840080187.db2.gz SLTXZVPIZHSPCS-QLFBSQMISA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093197499 840080173 /nfs/dbraw/zinc/08/01/73/840080173.db2.gz SLTXZVPIZHSPCS-QLFBSQMISA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093197500 840080153 /nfs/dbraw/zinc/08/01/53/840080153.db2.gz SLTXZVPIZHSPCS-RBSFLKMASA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093197500 840080140 /nfs/dbraw/zinc/08/01/40/840080140.db2.gz SLTXZVPIZHSPCS-RBSFLKMASA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093197500 840080130 /nfs/dbraw/zinc/08/01/30/840080130.db2.gz SLTXZVPIZHSPCS-RBSFLKMASA-N 2 1 350.463 -0.229 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208855 840083675 /nfs/dbraw/zinc/08/36/75/840083675.db2.gz ISUGLJPWSJMPKJ-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208855 840083667 /nfs/dbraw/zinc/08/36/67/840083667.db2.gz ISUGLJPWSJMPKJ-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208855 840083660 /nfs/dbraw/zinc/08/36/60/840083660.db2.gz ISUGLJPWSJMPKJ-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208855 840083655 /nfs/dbraw/zinc/08/36/55/840083655.db2.gz ISUGLJPWSJMPKJ-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208856 840084009 /nfs/dbraw/zinc/08/40/09/840084009.db2.gz ISUGLJPWSJMPKJ-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208856 840083998 /nfs/dbraw/zinc/08/39/98/840083998.db2.gz ISUGLJPWSJMPKJ-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208856 840083986 /nfs/dbraw/zinc/08/39/86/840083986.db2.gz ISUGLJPWSJMPKJ-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001093208856 840083975 /nfs/dbraw/zinc/08/39/75/840083975.db2.gz ISUGLJPWSJMPKJ-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212144 840084732 /nfs/dbraw/zinc/08/47/32/840084732.db2.gz IVLVAJKDSZCINO-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212144 840084726 /nfs/dbraw/zinc/08/47/26/840084726.db2.gz IVLVAJKDSZCINO-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212144 840084716 /nfs/dbraw/zinc/08/47/16/840084716.db2.gz IVLVAJKDSZCINO-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212144 840084711 /nfs/dbraw/zinc/08/47/11/840084711.db2.gz IVLVAJKDSZCINO-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212145 840085144 /nfs/dbraw/zinc/08/51/44/840085144.db2.gz IVLVAJKDSZCINO-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212145 840085141 /nfs/dbraw/zinc/08/51/41/840085141.db2.gz IVLVAJKDSZCINO-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212145 840085139 /nfs/dbraw/zinc/08/51/39/840085139.db2.gz IVLVAJKDSZCINO-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001093212145 840085136 /nfs/dbraw/zinc/08/51/36/840085136.db2.gz IVLVAJKDSZCINO-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214406 840086612 /nfs/dbraw/zinc/08/66/12/840086612.db2.gz MSZNDCLPMZMXOB-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214406 840086605 /nfs/dbraw/zinc/08/66/05/840086605.db2.gz MSZNDCLPMZMXOB-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214406 840086598 /nfs/dbraw/zinc/08/65/98/840086598.db2.gz MSZNDCLPMZMXOB-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214406 840086590 /nfs/dbraw/zinc/08/65/90/840086590.db2.gz MSZNDCLPMZMXOB-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214409 840086311 /nfs/dbraw/zinc/08/63/11/840086311.db2.gz MSZNDCLPMZMXOB-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214409 840086301 /nfs/dbraw/zinc/08/63/01/840086301.db2.gz MSZNDCLPMZMXOB-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214409 840086290 /nfs/dbraw/zinc/08/62/90/840086290.db2.gz MSZNDCLPMZMXOB-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001093214409 840086281 /nfs/dbraw/zinc/08/62/81/840086281.db2.gz MSZNDCLPMZMXOB-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093289207 840088805 /nfs/dbraw/zinc/08/88/05/840088805.db2.gz VFNFJALDKJENBS-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093289208 840089062 /nfs/dbraw/zinc/08/90/62/840089062.db2.gz VFNFJALDKJENBS-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001093399707 840090182 /nfs/dbraw/zinc/09/01/82/840090182.db2.gz NJBRVKXNKWMNRT-XYSPPFBYSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCO)CC3)C2)O1 ZINC001093400017 840090715 /nfs/dbraw/zinc/09/07/15/840090715.db2.gz AGCWKYYDVKDMGU-JBCIKUTRSA-N 2 1 355.479 -0.172 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCO)CC3)C2)O1 ZINC001093400017 840090706 /nfs/dbraw/zinc/09/07/06/840090706.db2.gz AGCWKYYDVKDMGU-JBCIKUTRSA-N 2 1 355.479 -0.172 20 0 FBADMP C[C@@H](O)CN1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545447 840100010 /nfs/dbraw/zinc/10/00/10/840100010.db2.gz GOUGUWAODYBQHP-CKEIUWERSA-N 2 1 355.479 -0.222 20 0 FBADMP C[C@H](O)CN1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545448 840099860 /nfs/dbraw/zinc/09/98/60/840099860.db2.gz GOUGUWAODYBQHP-JJRVBVJISA-N 2 1 355.479 -0.222 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(OC3CN(CCCO)C3)CC2)O1 ZINC001093545935 840099623 /nfs/dbraw/zinc/09/96/23/840099623.db2.gz YLDGYCFEXLHYOI-RHSMWYFYSA-N 2 1 355.479 -0.220 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691178 840102488 /nfs/dbraw/zinc/10/24/88/840102488.db2.gz LHCVBDOBFHIGOQ-FMKPAKJESA-N 2 1 350.467 -0.187 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691178 840102482 /nfs/dbraw/zinc/10/24/82/840102482.db2.gz LHCVBDOBFHIGOQ-FMKPAKJESA-N 2 1 350.467 -0.187 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691179 840102700 /nfs/dbraw/zinc/10/27/00/840102700.db2.gz LHCVBDOBFHIGOQ-IIAWOOMASA-N 2 1 350.467 -0.187 20 0 FBADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691179 840102698 /nfs/dbraw/zinc/10/26/98/840102698.db2.gz LHCVBDOBFHIGOQ-IIAWOOMASA-N 2 1 350.467 -0.187 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)CC[N@H+]1C ZINC001093780910 840106415 /nfs/dbraw/zinc/10/64/15/840106415.db2.gz KMLHERVDQYUTAG-AAVRWANBSA-N 2 1 350.467 -0.367 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093825297 840107462 /nfs/dbraw/zinc/10/74/62/840107462.db2.gz BYRSMWFQNRCKSB-NFAWXSAZSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093825298 840107653 /nfs/dbraw/zinc/10/76/53/840107653.db2.gz BYRSMWFQNRCKSB-UMVBOHGHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093826049 840108222 /nfs/dbraw/zinc/10/82/22/840108222.db2.gz ZPHLPKXAZSUUPZ-CHWSQXEVSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093857378 840109216 /nfs/dbraw/zinc/10/92/16/840109216.db2.gz BGIKOSWNAZYGHT-KBUPBQIOSA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093857378 840109212 /nfs/dbraw/zinc/10/92/12/840109212.db2.gz BGIKOSWNAZYGHT-KBUPBQIOSA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093857534 840109166 /nfs/dbraw/zinc/10/91/66/840109166.db2.gz KBPXGXDDKQWBAB-KBUPBQIOSA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093857534 840109160 /nfs/dbraw/zinc/10/91/60/840109160.db2.gz KBPXGXDDKQWBAB-KBUPBQIOSA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093857560 840109654 /nfs/dbraw/zinc/10/96/54/840109654.db2.gz LBKLAFDPHVLJGE-AAVRWANBSA-N 2 1 351.455 -0.887 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093857560 840109647 /nfs/dbraw/zinc/10/96/47/840109647.db2.gz LBKLAFDPHVLJGE-AAVRWANBSA-N 2 1 351.455 -0.887 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093857687 840109530 /nfs/dbraw/zinc/10/95/30/840109530.db2.gz RVGGYSBWMHPOQD-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093857687 840109524 /nfs/dbraw/zinc/10/95/24/840109524.db2.gz RVGGYSBWMHPOQD-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093857735 840109336 /nfs/dbraw/zinc/10/93/36/840109336.db2.gz UVXGAWWNXMXBMG-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093857735 840109330 /nfs/dbraw/zinc/10/93/30/840109330.db2.gz UVXGAWWNXMXBMG-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093857797 840108728 /nfs/dbraw/zinc/10/87/28/840108728.db2.gz YQPKFXMPISMTRL-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093857797 840108718 /nfs/dbraw/zinc/10/87/18/840108718.db2.gz YQPKFXMPISMTRL-IXYNUQLISA-N 2 1 350.467 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093864008 840109430 /nfs/dbraw/zinc/10/94/30/840109430.db2.gz DZKWIHBHXFHRJL-MCIONIFRSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093864009 840108769 /nfs/dbraw/zinc/10/87/69/840108769.db2.gz DZKWIHBHXFHRJL-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094040817 840118723 /nfs/dbraw/zinc/11/87/23/840118723.db2.gz PNEAWUGGQSBBRH-HZSPNIEDSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094040818 840118502 /nfs/dbraw/zinc/11/85/02/840118502.db2.gz PNEAWUGGQSBBRH-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC001094041529 840118093 /nfs/dbraw/zinc/11/80/93/840118093.db2.gz ACMWVNXXQWCARN-BFHYXJOUSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC001094041534 840118680 /nfs/dbraw/zinc/11/86/80/840118680.db2.gz ACMWVNXXQWCARN-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094110596 840121257 /nfs/dbraw/zinc/12/12/57/840121257.db2.gz HZMXIEBGVGHDOA-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094110597 840121783 /nfs/dbraw/zinc/12/17/83/840121783.db2.gz HZMXIEBGVGHDOA-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094110648 840121049 /nfs/dbraw/zinc/12/10/49/840121049.db2.gz KPTWJMRJIWQGSJ-HUUCEWRRSA-N 2 1 350.467 -0.279 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094113848 840121234 /nfs/dbraw/zinc/12/12/34/840121234.db2.gz GCNRCKUKVXBUFZ-HUUCEWRRSA-N 2 1 350.467 -0.279 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094114093 840121432 /nfs/dbraw/zinc/12/14/32/840121432.db2.gz QZUJXPWMVDUDET-HUUCEWRRSA-N 2 1 350.467 -0.279 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094114106 840121551 /nfs/dbraw/zinc/12/15/51/840121551.db2.gz SFJIOUAHWLGTKA-HUUCEWRRSA-N 2 1 350.467 -0.279 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094114137 840121832 /nfs/dbraw/zinc/12/18/32/840121832.db2.gz UOZDBRLTJFXYIH-ZIAGYGMSSA-N 2 1 351.455 -0.884 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094114194 840121168 /nfs/dbraw/zinc/12/11/68/840121168.db2.gz YYIIEXZXIGKMPF-HUUCEWRRSA-N 2 1 350.467 -0.279 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094114202 840121372 /nfs/dbraw/zinc/12/13/72/840121372.db2.gz ZJTOOPWJPNMJOI-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094114203 840121149 /nfs/dbraw/zinc/12/11/49/840121149.db2.gz ZJTOOPWJPNMJOI-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094165246 840124662 /nfs/dbraw/zinc/12/46/62/840124662.db2.gz JFJARODWJUCFRW-HZSPNIEDSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094165247 840124595 /nfs/dbraw/zinc/12/45/95/840124595.db2.gz JFJARODWJUCFRW-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094231818 840130855 /nfs/dbraw/zinc/13/08/55/840130855.db2.gz CUTXSFNNNUCHFR-MCIONIFRSA-N 2 1 351.455 -0.885 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094231818 840130849 /nfs/dbraw/zinc/13/08/49/840130849.db2.gz CUTXSFNNNUCHFR-MCIONIFRSA-N 2 1 351.455 -0.885 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094231819 840130632 /nfs/dbraw/zinc/13/06/32/840130632.db2.gz CUTXSFNNNUCHFR-MGPQQGTHSA-N 2 1 351.455 -0.885 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094231819 840130629 /nfs/dbraw/zinc/13/06/29/840130629.db2.gz CUTXSFNNNUCHFR-MGPQQGTHSA-N 2 1 351.455 -0.885 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001094232344 840130583 /nfs/dbraw/zinc/13/05/83/840130583.db2.gz SSISUGLQNMXORS-KFWWJZLASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001094232344 840130577 /nfs/dbraw/zinc/13/05/77/840130577.db2.gz SSISUGLQNMXORS-KFWWJZLASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001094232345 840130392 /nfs/dbraw/zinc/13/03/92/840130392.db2.gz SSISUGLQNMXORS-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001094232345 840130386 /nfs/dbraw/zinc/13/03/86/840130386.db2.gz SSISUGLQNMXORS-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232596 840130541 /nfs/dbraw/zinc/13/05/41/840130541.db2.gz ZCBUYBVPTCDIKL-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232596 840130534 /nfs/dbraw/zinc/13/05/34/840130534.db2.gz ZCBUYBVPTCDIKL-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232597 840130754 /nfs/dbraw/zinc/13/07/54/840130754.db2.gz ZCBUYBVPTCDIKL-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232597 840130752 /nfs/dbraw/zinc/13/07/52/840130752.db2.gz ZCBUYBVPTCDIKL-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234178 840130895 /nfs/dbraw/zinc/13/08/95/840130895.db2.gz QRPJFMRUQJULKV-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234178 840130886 /nfs/dbraw/zinc/13/08/86/840130886.db2.gz QRPJFMRUQJULKV-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234179 840130658 /nfs/dbraw/zinc/13/06/58/840130658.db2.gz QRPJFMRUQJULKV-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234179 840130656 /nfs/dbraw/zinc/13/06/56/840130656.db2.gz QRPJFMRUQJULKV-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001094234206 840130724 /nfs/dbraw/zinc/13/07/24/840130724.db2.gz SPXZAZWLQFWNRR-KFWWJZLASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001094234206 840130717 /nfs/dbraw/zinc/13/07/17/840130717.db2.gz SPXZAZWLQFWNRR-KFWWJZLASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001094234207 840130230 /nfs/dbraw/zinc/13/02/30/840130230.db2.gz SPXZAZWLQFWNRR-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001094234207 840130223 /nfs/dbraw/zinc/13/02/23/840130223.db2.gz SPXZAZWLQFWNRR-RBSFLKMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001094234265 840129953 /nfs/dbraw/zinc/12/99/53/840129953.db2.gz YDRYKOWIDPFIKO-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001094234265 840129939 /nfs/dbraw/zinc/12/99/39/840129939.db2.gz YDRYKOWIDPFIKO-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001094234266 840130834 /nfs/dbraw/zinc/13/08/34/840130834.db2.gz YDRYKOWIDPFIKO-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001094234266 840130830 /nfs/dbraw/zinc/13/08/30/840130830.db2.gz YDRYKOWIDPFIKO-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CC[N@H+]1C ZINC001094293360 840133393 /nfs/dbraw/zinc/13/33/93/840133393.db2.gz LBZQNHDITWUACO-JKSUJKDBSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CC[N@@H+]1C ZINC001094293360 840133387 /nfs/dbraw/zinc/13/33/87/840133387.db2.gz LBZQNHDITWUACO-JKSUJKDBSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@@H](C)O)C3)nn2)CC[N@H+]1C ZINC001094293465 840133118 /nfs/dbraw/zinc/13/31/18/840133118.db2.gz OSKPGUXVONVZGQ-UHOFOFEASA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@@H](C)O)C3)nn2)CC[N@@H+]1C ZINC001094293465 840133109 /nfs/dbraw/zinc/13/31/09/840133109.db2.gz OSKPGUXVONVZGQ-UHOFOFEASA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@H](C)O)C3)nn2)CC[N@H+]1C ZINC001094293466 840133645 /nfs/dbraw/zinc/13/36/45/840133645.db2.gz OSKPGUXVONVZGQ-VBNZEHGJSA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@H](C)O)C3)nn2)CC[N@@H+]1C ZINC001094293466 840133639 /nfs/dbraw/zinc/13/36/39/840133639.db2.gz OSKPGUXVONVZGQ-VBNZEHGJSA-N 2 1 350.467 -0.138 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094385034 840135648 /nfs/dbraw/zinc/13/56/48/840135648.db2.gz XKOXJFXXMDIUGD-HDMKZQKVSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094385034 840135643 /nfs/dbraw/zinc/13/56/43/840135643.db2.gz XKOXJFXXMDIUGD-HDMKZQKVSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385034 840135636 /nfs/dbraw/zinc/13/56/36/840135636.db2.gz XKOXJFXXMDIUGD-HDMKZQKVSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385034 840135627 /nfs/dbraw/zinc/13/56/27/840135627.db2.gz XKOXJFXXMDIUGD-HDMKZQKVSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094385035 840135835 /nfs/dbraw/zinc/13/58/35/840135835.db2.gz XKOXJFXXMDIUGD-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094385035 840135828 /nfs/dbraw/zinc/13/58/28/840135828.db2.gz XKOXJFXXMDIUGD-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385035 840135824 /nfs/dbraw/zinc/13/58/24/840135824.db2.gz XKOXJFXXMDIUGD-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385035 840135820 /nfs/dbraw/zinc/13/58/20/840135820.db2.gz XKOXJFXXMDIUGD-IIDMSEBBSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446758 840135940 /nfs/dbraw/zinc/13/59/40/840135940.db2.gz GMXIMEAWZZOPQV-ATNYBXOESA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446758 840135935 /nfs/dbraw/zinc/13/59/35/840135935.db2.gz GMXIMEAWZZOPQV-ATNYBXOESA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446758 840135930 /nfs/dbraw/zinc/13/59/30/840135930.db2.gz GMXIMEAWZZOPQV-ATNYBXOESA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446758 840135923 /nfs/dbraw/zinc/13/59/23/840135923.db2.gz GMXIMEAWZZOPQV-ATNYBXOESA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094495246 840136975 /nfs/dbraw/zinc/13/69/75/840136975.db2.gz HWQINISKOYSZFX-HDMKZQKVSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094495246 840136971 /nfs/dbraw/zinc/13/69/71/840136971.db2.gz HWQINISKOYSZFX-HDMKZQKVSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094495246 840136965 /nfs/dbraw/zinc/13/69/65/840136965.db2.gz HWQINISKOYSZFX-HDMKZQKVSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094495248 840137658 /nfs/dbraw/zinc/13/76/58/840137658.db2.gz HWQINISKOYSZFX-IIDMSEBBSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094495248 840137651 /nfs/dbraw/zinc/13/76/51/840137651.db2.gz HWQINISKOYSZFX-IIDMSEBBSA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094495248 840137644 /nfs/dbraw/zinc/13/76/44/840137644.db2.gz HWQINISKOYSZFX-IIDMSEBBSA-N 2 1 352.479 -0.058 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)C1 ZINC001094581638 840139501 /nfs/dbraw/zinc/13/95/01/840139501.db2.gz BUXHMTZQMITTRH-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)C1 ZINC001094581638 840139495 /nfs/dbraw/zinc/13/94/95/840139495.db2.gz BUXHMTZQMITTRH-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)C1 ZINC001094581638 840139489 /nfs/dbraw/zinc/13/94/89/840139489.db2.gz BUXHMTZQMITTRH-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)C1 ZINC001094581638 840139488 /nfs/dbraw/zinc/13/94/88/840139488.db2.gz BUXHMTZQMITTRH-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)C1 ZINC001094581640 840139419 /nfs/dbraw/zinc/13/94/19/840139419.db2.gz BUXHMTZQMITTRH-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)C1 ZINC001094581640 840139414 /nfs/dbraw/zinc/13/94/14/840139414.db2.gz BUXHMTZQMITTRH-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)C1 ZINC001094581640 840139409 /nfs/dbraw/zinc/13/94/09/840139409.db2.gz BUXHMTZQMITTRH-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)C1 ZINC001094581640 840139405 /nfs/dbraw/zinc/13/94/05/840139405.db2.gz BUXHMTZQMITTRH-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC[N@H+]1C ZINC001094740857 840254128 /nfs/dbraw/zinc/25/41/28/840254128.db2.gz VNUKASIFZYTWOY-CWRNSKLLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC[N@@H+]1C ZINC001094740857 840254114 /nfs/dbraw/zinc/25/41/14/840254114.db2.gz VNUKASIFZYTWOY-CWRNSKLLSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC[N@H+]1C ZINC001094740859 840254265 /nfs/dbraw/zinc/25/42/65/840254265.db2.gz VNUKASIFZYTWOY-VNQPRFMTSA-N 2 1 352.479 -0.500 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC[N@@H+]1C ZINC001094740859 840254254 /nfs/dbraw/zinc/25/42/54/840254254.db2.gz VNUKASIFZYTWOY-VNQPRFMTSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)C1 ZINC001096538342 842130581 /nfs/dbraw/zinc/13/05/81/842130581.db2.gz GDLCBDIMIASXKY-FZKCQIBNSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)C1 ZINC001096538342 842130575 /nfs/dbraw/zinc/13/05/75/842130575.db2.gz GDLCBDIMIASXKY-FZKCQIBNSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001096538342 842130568 /nfs/dbraw/zinc/13/05/68/842130568.db2.gz GDLCBDIMIASXKY-FZKCQIBNSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001096538342 842130556 /nfs/dbraw/zinc/13/05/56/842130556.db2.gz GDLCBDIMIASXKY-FZKCQIBNSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)C1 ZINC001096538343 842130162 /nfs/dbraw/zinc/13/01/62/842130162.db2.gz GDLCBDIMIASXKY-WCVJEAGWSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)C1 ZINC001096538343 842130157 /nfs/dbraw/zinc/13/01/57/842130157.db2.gz GDLCBDIMIASXKY-WCVJEAGWSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001096538343 842130152 /nfs/dbraw/zinc/13/01/52/842130152.db2.gz GDLCBDIMIASXKY-WCVJEAGWSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001096538343 842130149 /nfs/dbraw/zinc/13/01/49/842130149.db2.gz GDLCBDIMIASXKY-WCVJEAGWSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCS2(=O)=O)C1 ZINC001096538375 842131081 /nfs/dbraw/zinc/13/10/81/842131081.db2.gz HJVODVNGFGCVCK-FZKCQIBNSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCS2(=O)=O)C1 ZINC001096538375 842131078 /nfs/dbraw/zinc/13/10/78/842131078.db2.gz HJVODVNGFGCVCK-FZKCQIBNSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001096538375 842131076 /nfs/dbraw/zinc/13/10/76/842131076.db2.gz HJVODVNGFGCVCK-FZKCQIBNSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001096538375 842131073 /nfs/dbraw/zinc/13/10/73/842131073.db2.gz HJVODVNGFGCVCK-FZKCQIBNSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCS2(=O)=O)C1 ZINC001096538376 842131102 /nfs/dbraw/zinc/13/11/02/842131102.db2.gz HJVODVNGFGCVCK-WCVJEAGWSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCS2(=O)=O)C1 ZINC001096538376 842131099 /nfs/dbraw/zinc/13/10/99/842131099.db2.gz HJVODVNGFGCVCK-WCVJEAGWSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001096538376 842131094 /nfs/dbraw/zinc/13/10/94/842131094.db2.gz HJVODVNGFGCVCK-WCVJEAGWSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001096538376 842131093 /nfs/dbraw/zinc/13/10/93/842131093.db2.gz HJVODVNGFGCVCK-WCVJEAGWSA-N 2 1 370.519 -0.305 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001098370951 842381523 /nfs/dbraw/zinc/38/15/23/842381523.db2.gz CNOVQRZYVDMLQD-GDBMZVCRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001098370951 842381510 /nfs/dbraw/zinc/38/15/10/842381510.db2.gz CNOVQRZYVDMLQD-GDBMZVCRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001098370951 842381496 /nfs/dbraw/zinc/38/14/96/842381496.db2.gz CNOVQRZYVDMLQD-GDBMZVCRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)CCOCCO)CC2)CC[NH+]1C ZINC001098371130 839181713 /nfs/dbraw/zinc/18/17/13/839181713.db2.gz IGGYCNUEXBGVRP-NVXWUHKLSA-N 2 1 357.495 -0.379 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)CCOCCO)CC2)CC[NH+]1C ZINC001098371130 839181711 /nfs/dbraw/zinc/18/17/11/839181711.db2.gz IGGYCNUEXBGVRP-NVXWUHKLSA-N 2 1 357.495 -0.379 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)CC[N@H+]1C ZINC001098371130 839181707 /nfs/dbraw/zinc/18/17/07/839181707.db2.gz IGGYCNUEXBGVRP-NVXWUHKLSA-N 2 1 357.495 -0.379 20 0 FBADMP COC[C@H](O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371175 842380969 /nfs/dbraw/zinc/38/09/69/842380969.db2.gz JVPPGBMAJLEWEB-DJIMGWMZSA-N 2 1 357.495 -0.381 20 0 FBADMP COC[C@H](O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371175 842380957 /nfs/dbraw/zinc/38/09/57/842380957.db2.gz JVPPGBMAJLEWEB-DJIMGWMZSA-N 2 1 357.495 -0.381 20 0 FBADMP COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371175 842380945 /nfs/dbraw/zinc/38/09/45/842380945.db2.gz JVPPGBMAJLEWEB-DJIMGWMZSA-N 2 1 357.495 -0.381 20 0 FBADMP COC[C@@H](O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371176 842379932 /nfs/dbraw/zinc/37/99/32/842379932.db2.gz JVPPGBMAJLEWEB-HYVNUMGLSA-N 2 1 357.495 -0.381 20 0 FBADMP COC[C@@H](O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371176 842379922 /nfs/dbraw/zinc/37/99/22/842379922.db2.gz JVPPGBMAJLEWEB-HYVNUMGLSA-N 2 1 357.495 -0.381 20 0 FBADMP COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371176 842379913 /nfs/dbraw/zinc/37/99/13/842379913.db2.gz JVPPGBMAJLEWEB-HYVNUMGLSA-N 2 1 357.495 -0.381 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)CC(=O)NC)CC2)CC[NH+]1C ZINC001098371354 839181618 /nfs/dbraw/zinc/18/16/18/839181618.db2.gz ODBSPQDDDRJLCS-JKSUJKDBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)CC(=O)NC)CC2)CC[NH+]1C ZINC001098371354 839181616 /nfs/dbraw/zinc/18/16/16/839181616.db2.gz ODBSPQDDDRJLCS-JKSUJKDBSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CC(=O)NC)CC2)CC[N@H+]1C ZINC001098371354 839181615 /nfs/dbraw/zinc/18/16/15/839181615.db2.gz ODBSPQDDDRJLCS-JKSUJKDBSA-N 2 1 354.495 -0.252 20 0 FBADMP CCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371589 839181145 /nfs/dbraw/zinc/18/11/45/839181145.db2.gz ZXZRXYHFWAETIC-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371589 839181139 /nfs/dbraw/zinc/18/11/39/839181139.db2.gz ZXZRXYHFWAETIC-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371589 839181135 /nfs/dbraw/zinc/18/11/35/839181135.db2.gz ZXZRXYHFWAETIC-GDBMZVCRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)C1 ZINC001098393904 842382764 /nfs/dbraw/zinc/38/27/64/842382764.db2.gz GDLCBDIMIASXKY-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)C1 ZINC001098393904 842382751 /nfs/dbraw/zinc/38/27/51/842382751.db2.gz GDLCBDIMIASXKY-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001098393904 842382738 /nfs/dbraw/zinc/38/27/38/842382738.db2.gz GDLCBDIMIASXKY-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001098393904 842382726 /nfs/dbraw/zinc/38/27/26/842382726.db2.gz GDLCBDIMIASXKY-FPCVCCKLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)C1 ZINC001098393905 842382866 /nfs/dbraw/zinc/38/28/66/842382866.db2.gz GDLCBDIMIASXKY-JJXSEGSLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)C1 ZINC001098393905 842382850 /nfs/dbraw/zinc/38/28/50/842382850.db2.gz GDLCBDIMIASXKY-JJXSEGSLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001098393905 842382842 /nfs/dbraw/zinc/38/28/42/842382842.db2.gz GDLCBDIMIASXKY-JJXSEGSLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCOCC2)C1 ZINC001098393905 842382832 /nfs/dbraw/zinc/38/28/32/842382832.db2.gz GDLCBDIMIASXKY-JJXSEGSLSA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCS2(=O)=O)C1 ZINC001098393965 842383090 /nfs/dbraw/zinc/38/30/90/842383090.db2.gz HJVODVNGFGCVCK-FPCVCCKLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCS2(=O)=O)C1 ZINC001098393965 842383076 /nfs/dbraw/zinc/38/30/76/842383076.db2.gz HJVODVNGFGCVCK-FPCVCCKLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001098393965 842383062 /nfs/dbraw/zinc/38/30/62/842383062.db2.gz HJVODVNGFGCVCK-FPCVCCKLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001098393965 842383049 /nfs/dbraw/zinc/38/30/49/842383049.db2.gz HJVODVNGFGCVCK-FPCVCCKLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCS2(=O)=O)C1 ZINC001098393967 842382069 /nfs/dbraw/zinc/38/20/69/842382069.db2.gz HJVODVNGFGCVCK-JJXSEGSLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCS2(=O)=O)C1 ZINC001098393967 842382057 /nfs/dbraw/zinc/38/20/57/842382057.db2.gz HJVODVNGFGCVCK-JJXSEGSLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001098393967 842382042 /nfs/dbraw/zinc/38/20/42/842382042.db2.gz HJVODVNGFGCVCK-JJXSEGSLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCS2(=O)=O)C1 ZINC001098393967 842382039 /nfs/dbraw/zinc/38/20/39/842382039.db2.gz HJVODVNGFGCVCK-JJXSEGSLSA-N 2 1 370.519 -0.305 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001098603472 836056548 /nfs/dbraw/zinc/05/65/48/836056548.db2.gz OXERGZIBIMFGPO-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001098603472 836056535 /nfs/dbraw/zinc/05/65/35/836056535.db2.gz OXERGZIBIMFGPO-RBSFLKMASA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001098603473 836056725 /nfs/dbraw/zinc/05/67/25/836056725.db2.gz OXERGZIBIMFGPO-RRFJBIMHSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001098603473 836056714 /nfs/dbraw/zinc/05/67/14/836056714.db2.gz OXERGZIBIMFGPO-RRFJBIMHSA-N 2 1 352.479 -0.106 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098611120 842389978 /nfs/dbraw/zinc/38/99/78/842389978.db2.gz XQHZBNUMSNMSJZ-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098611120 842389961 /nfs/dbraw/zinc/38/99/61/842389961.db2.gz XQHZBNUMSNMSJZ-BZUAXINKSA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCO)CC3)C2)O1 ZINC001098611121 842389087 /nfs/dbraw/zinc/38/90/87/842389087.db2.gz XQHZBNUMSNMSJZ-OWCLPIDISA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCO)CC3)C2)O1 ZINC001098611121 842389073 /nfs/dbraw/zinc/38/90/73/842389073.db2.gz XQHZBNUMSNMSJZ-OWCLPIDISA-N 2 1 355.479 -0.220 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001098672390 836839078 /nfs/dbraw/zinc/83/90/78/836839078.db2.gz DUTARZHIEMNMNI-FVQBIDKESA-N 2 1 350.467 -0.136 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001098672394 836838918 /nfs/dbraw/zinc/83/89/18/836838918.db2.gz DUTARZHIEMNMNI-VNQPRFMTSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@H+]1C ZINC001098675713 836882298 /nfs/dbraw/zinc/88/22/98/836882298.db2.gz GLYWCWDKTYTAMR-HRCADAONSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@@H+]1C ZINC001098675713 836882292 /nfs/dbraw/zinc/88/22/92/836882292.db2.gz GLYWCWDKTYTAMR-HRCADAONSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@H+]1C ZINC001098675714 836883425 /nfs/dbraw/zinc/88/34/25/836883425.db2.gz GLYWCWDKTYTAMR-OWCLPIDISA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@@H+]1C ZINC001098675714 836883413 /nfs/dbraw/zinc/88/34/13/836883413.db2.gz GLYWCWDKTYTAMR-OWCLPIDISA-N 2 1 350.467 -0.136 20 0 FBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099263624 842418304 /nfs/dbraw/zinc/41/83/04/842418304.db2.gz VJTLLRWIWPBAMZ-JHJVBQTASA-N 2 1 363.384 -0.216 20 0 FBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099263628 842417989 /nfs/dbraw/zinc/41/79/89/842417989.db2.gz VJTLLRWIWPBAMZ-UPJWGTAASA-N 2 1 363.384 -0.216 20 0 FBADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099283588 842421125 /nfs/dbraw/zinc/42/11/25/842421125.db2.gz FNSIFPCYUPCBRZ-UNOFRPGUSA-N 2 1 363.380 -0.179 20 0 FBADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099283589 842420617 /nfs/dbraw/zinc/42/06/17/842420617.db2.gz FNSIFPCYUPCBRZ-YGFYLSKRSA-N 2 1 363.380 -0.179 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001099327990 842429762 /nfs/dbraw/zinc/42/97/62/842429762.db2.gz ONQCYSJBLBEIDZ-VXGBXAGGSA-N 2 1 366.384 -0.439 20 0 FBADMP O=C(N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001099333032 842432340 /nfs/dbraw/zinc/43/23/40/842432340.db2.gz NWOBYHMVOSYHHK-GRYCIOLGSA-N 2 1 360.380 -0.050 20 0 FBADMP O=C(N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001099333033 842432221 /nfs/dbraw/zinc/43/22/21/842432221.db2.gz NWOBYHMVOSYHHK-IJLUTSLNSA-N 2 1 360.380 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001100343420 852191863 /nfs/dbraw/zinc/19/18/63/852191863.db2.gz FXEFJLXZJHSQEX-XSCHDIRWSA-N 2 1 360.524 -0.298 20 0 FBADMP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343561 852191765 /nfs/dbraw/zinc/19/17/65/852191765.db2.gz HZLRXXVHYSEFDR-PRLABOORSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343590 852191783 /nfs/dbraw/zinc/19/17/83/852191783.db2.gz JRFSPHPITFJGNE-LHUBUQBQSA-N 2 1 354.495 -0.036 20 0 FBADMP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343784 852191816 /nfs/dbraw/zinc/19/18/16/852191816.db2.gz SLZNGMSXEATLQL-PRLABOORSA-N 2 1 354.495 -0.036 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343883 852191394 /nfs/dbraw/zinc/19/13/94/852191394.db2.gz XZWDBMYIVCUBIB-BLYZHGLHSA-N 2 1 353.467 -0.343 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343917 852191705 /nfs/dbraw/zinc/19/17/05/852191705.db2.gz ZQQSUPGTQVQNIQ-XSCHDIRWSA-N 2 1 360.524 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001100345144 852191606 /nfs/dbraw/zinc/19/16/06/852191606.db2.gz RJVIUANDXARXBC-PFSRBDOWSA-N 2 1 360.524 -0.250 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001100345214 852191833 /nfs/dbraw/zinc/19/18/33/852191833.db2.gz VJYMFEOVCPRWOT-CLRIEMFWSA-N 2 1 353.467 -0.343 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001100437839 852205829 /nfs/dbraw/zinc/20/58/29/852205829.db2.gz BFWYERWWYOKUOL-XSCHDIRWSA-N 2 1 361.508 -0.375 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001100437839 852205821 /nfs/dbraw/zinc/20/58/21/852205821.db2.gz BFWYERWWYOKUOL-XSCHDIRWSA-N 2 1 361.508 -0.375 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001100437863 852206470 /nfs/dbraw/zinc/20/64/70/852206470.db2.gz CVFHESJSRMKOLX-UWLZSVRSSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001100437863 852206464 /nfs/dbraw/zinc/20/64/64/852206464.db2.gz CVFHESJSRMKOLX-UWLZSVRSSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001100437902 852206176 /nfs/dbraw/zinc/20/61/76/852206176.db2.gz GMPQGIDMITXYBT-FKFRUQKQSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001100437902 852206167 /nfs/dbraw/zinc/20/61/67/852206167.db2.gz GMPQGIDMITXYBT-FKFRUQKQSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001100437956 852206395 /nfs/dbraw/zinc/20/63/95/852206395.db2.gz JCWQKYFHCPPSBN-TWRYWWQQSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001100437956 852206386 /nfs/dbraw/zinc/20/63/86/852206386.db2.gz JCWQKYFHCPPSBN-TWRYWWQQSA-N 2 1 352.479 -0.284 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438271 852206366 /nfs/dbraw/zinc/20/63/66/852206366.db2.gz YLICKQQBUJIUOL-PRLABOORSA-N 2 1 354.495 -0.038 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438271 852206359 /nfs/dbraw/zinc/20/63/59/852206359.db2.gz YLICKQQBUJIUOL-PRLABOORSA-N 2 1 354.495 -0.038 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171624 842449651 /nfs/dbraw/zinc/44/96/51/842449651.db2.gz GVLYQAMNTMHJNY-FMKPAKJESA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171624 842449649 /nfs/dbraw/zinc/44/96/49/842449649.db2.gz GVLYQAMNTMHJNY-FMKPAKJESA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171624 842449647 /nfs/dbraw/zinc/44/96/47/842449647.db2.gz GVLYQAMNTMHJNY-FMKPAKJESA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171625 842449965 /nfs/dbraw/zinc/44/99/65/842449965.db2.gz GVLYQAMNTMHJNY-YCPHGPKFSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171625 842449957 /nfs/dbraw/zinc/44/99/57/842449957.db2.gz GVLYQAMNTMHJNY-YCPHGPKFSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171625 842449953 /nfs/dbraw/zinc/44/99/53/842449953.db2.gz GVLYQAMNTMHJNY-YCPHGPKFSA-N 2 1 358.508 -0.590 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171785 842449605 /nfs/dbraw/zinc/44/96/05/842449605.db2.gz LHNGKBJOQYDBMB-IGCXYCKISA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171785 842449603 /nfs/dbraw/zinc/44/96/03/842449603.db2.gz LHNGKBJOQYDBMB-IGCXYCKISA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171785 842449601 /nfs/dbraw/zinc/44/96/01/842449601.db2.gz LHNGKBJOQYDBMB-IGCXYCKISA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171786 842449770 /nfs/dbraw/zinc/44/97/70/842449770.db2.gz LHNGKBJOQYDBMB-XNJGSVPQSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171786 842449767 /nfs/dbraw/zinc/44/97/67/842449767.db2.gz LHNGKBJOQYDBMB-XNJGSVPQSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171786 842449761 /nfs/dbraw/zinc/44/97/61/842449761.db2.gz LHNGKBJOQYDBMB-XNJGSVPQSA-N 2 1 351.451 -0.684 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187529 842451264 /nfs/dbraw/zinc/45/12/64/842451264.db2.gz RUJBAYRBZYCSBW-NUJGCVRESA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187529 842451261 /nfs/dbraw/zinc/45/12/61/842451261.db2.gz RUJBAYRBZYCSBW-NUJGCVRESA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187529 842451256 /nfs/dbraw/zinc/45/12/56/842451256.db2.gz RUJBAYRBZYCSBW-NUJGCVRESA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187529 842451252 /nfs/dbraw/zinc/45/12/52/842451252.db2.gz RUJBAYRBZYCSBW-NUJGCVRESA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187530 842451613 /nfs/dbraw/zinc/45/16/13/842451613.db2.gz RUJBAYRBZYCSBW-RYRKJORJSA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187530 842451612 /nfs/dbraw/zinc/45/16/12/842451612.db2.gz RUJBAYRBZYCSBW-RYRKJORJSA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187530 842451610 /nfs/dbraw/zinc/45/16/10/842451610.db2.gz RUJBAYRBZYCSBW-RYRKJORJSA-N 2 1 355.479 -0.240 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187530 842451605 /nfs/dbraw/zinc/45/16/05/842451605.db2.gz RUJBAYRBZYCSBW-RYRKJORJSA-N 2 1 355.479 -0.240 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243509 842461594 /nfs/dbraw/zinc/46/15/94/842461594.db2.gz IMZKBYNHPJCGHB-ZFRZLUBXSA-N 2 1 351.451 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243509 842461592 /nfs/dbraw/zinc/46/15/92/842461592.db2.gz IMZKBYNHPJCGHB-ZFRZLUBXSA-N 2 1 351.451 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243509 842461589 /nfs/dbraw/zinc/46/15/89/842461589.db2.gz IMZKBYNHPJCGHB-ZFRZLUBXSA-N 2 1 351.451 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243610 842461990 /nfs/dbraw/zinc/46/19/90/842461990.db2.gz RQCHOHPHAVTIQB-ANQUJSFKSA-N 2 1 372.535 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243610 842461986 /nfs/dbraw/zinc/46/19/86/842461986.db2.gz RQCHOHPHAVTIQB-ANQUJSFKSA-N 2 1 372.535 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243610 842461982 /nfs/dbraw/zinc/46/19/82/842461982.db2.gz RQCHOHPHAVTIQB-ANQUJSFKSA-N 2 1 372.535 -0.344 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CCC1 ZINC001101266737 842469527 /nfs/dbraw/zinc/46/95/27/842469527.db2.gz RZDUKNUOMVHSMU-WBMJQRKESA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267725 842470099 /nfs/dbraw/zinc/47/00/99/842470099.db2.gz QEHUVQLGWJDCBW-IFIJOSMWSA-N 2 1 351.451 -0.698 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267726 842469754 /nfs/dbraw/zinc/46/97/54/842469754.db2.gz QEHUVQLGWJDCBW-MRRJBJDNSA-N 2 1 351.451 -0.698 20 0 FBADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268593 842469455 /nfs/dbraw/zinc/46/94/55/842469455.db2.gz JXLFVSZVHYANFW-PXAZEXFGSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268593 842469452 /nfs/dbraw/zinc/46/94/52/842469452.db2.gz JXLFVSZVHYANFW-PXAZEXFGSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268593 842469449 /nfs/dbraw/zinc/46/94/49/842469449.db2.gz JXLFVSZVHYANFW-PXAZEXFGSA-N 2 1 351.451 -0.554 20 0 FBADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101272408 842469673 /nfs/dbraw/zinc/46/96/73/842469673.db2.gz KYUHOQLRVBRTKB-IFIJOSMWSA-N 2 1 353.467 -0.452 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277537 842471517 /nfs/dbraw/zinc/47/15/17/842471517.db2.gz MIBAQGJKRXRCJY-XNJGSVPQSA-N 2 1 353.467 -0.438 20 0 FBADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277611 842470689 /nfs/dbraw/zinc/47/06/89/842470689.db2.gz PFMDHUZJBUBVOF-FMKPAKJESA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)O1 ZINC001101277685 842471478 /nfs/dbraw/zinc/47/14/78/842471478.db2.gz TZTPBXNTIZHTER-KONPQCLYSA-N 2 1 355.479 -0.505 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)O1 ZINC001101277685 842471476 /nfs/dbraw/zinc/47/14/76/842471476.db2.gz TZTPBXNTIZHTER-KONPQCLYSA-N 2 1 355.479 -0.505 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)O1 ZINC001101277685 842471475 /nfs/dbraw/zinc/47/14/75/842471475.db2.gz TZTPBXNTIZHTER-KONPQCLYSA-N 2 1 355.479 -0.505 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)O1 ZINC001101277685 842471473 /nfs/dbraw/zinc/47/14/73/842471473.db2.gz TZTPBXNTIZHTER-KONPQCLYSA-N 2 1 355.479 -0.505 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279615 842470641 /nfs/dbraw/zinc/47/06/41/842470641.db2.gz RSTSZWBGBDTOQJ-IGCXYCKISA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279615 842470633 /nfs/dbraw/zinc/47/06/33/842470633.db2.gz RSTSZWBGBDTOQJ-IGCXYCKISA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279615 842470625 /nfs/dbraw/zinc/47/06/25/842470625.db2.gz RSTSZWBGBDTOQJ-IGCXYCKISA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279616 842471127 /nfs/dbraw/zinc/47/11/27/842471127.db2.gz RSTSZWBGBDTOQJ-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279616 842471125 /nfs/dbraw/zinc/47/11/25/842471125.db2.gz RSTSZWBGBDTOQJ-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279616 842471122 /nfs/dbraw/zinc/47/11/22/842471122.db2.gz RSTSZWBGBDTOQJ-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101284797 842472228 /nfs/dbraw/zinc/47/22/28/842472228.db2.gz AEWRVUUZHPCSAH-PXAZEXFGSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101284797 842472223 /nfs/dbraw/zinc/47/22/23/842472223.db2.gz AEWRVUUZHPCSAH-PXAZEXFGSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101284797 842472216 /nfs/dbraw/zinc/47/22/16/842472216.db2.gz AEWRVUUZHPCSAH-PXAZEXFGSA-N 2 1 353.467 -0.308 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101300022 842476903 /nfs/dbraw/zinc/47/69/03/842476903.db2.gz FBLBCISUBZGTKO-ZBFHGGJFSA-N 2 1 369.491 -0.479 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101300022 842476898 /nfs/dbraw/zinc/47/68/98/842476898.db2.gz FBLBCISUBZGTKO-ZBFHGGJFSA-N 2 1 369.491 -0.479 20 0 FBADMP Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)nc1=O ZINC001101341208 842481014 /nfs/dbraw/zinc/48/10/14/842481014.db2.gz AWWQSBBEBQEHHK-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)nc1=O ZINC001101341208 842481009 /nfs/dbraw/zinc/48/10/09/842481009.db2.gz AWWQSBBEBQEHHK-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC1 ZINC001101342114 842481940 /nfs/dbraw/zinc/48/19/40/842481940.db2.gz ZTLLTRDTCINQML-WBMJQRKESA-N 2 1 351.451 -0.697 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344860 842480991 /nfs/dbraw/zinc/48/09/91/842480991.db2.gz IARBDKQHQORZQF-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101345003 842481408 /nfs/dbraw/zinc/48/14/08/842481408.db2.gz OVODPMFREGEMFM-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101345004 842480944 /nfs/dbraw/zinc/48/09/44/842480944.db2.gz OVODPMFREGEMFM-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101345205 842483281 /nfs/dbraw/zinc/48/32/81/842483281.db2.gz YVERWERKKZTTNG-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345883 842482884 /nfs/dbraw/zinc/48/28/84/842482884.db2.gz MEMDFCJBUDQCFV-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345884 842483065 /nfs/dbraw/zinc/48/30/65/842483065.db2.gz MEMDFCJBUDQCFV-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC1 ZINC001101348937 842482731 /nfs/dbraw/zinc/48/27/31/842482731.db2.gz OJSDDIQFIHSTQE-DYVFJYSZSA-N 2 1 351.451 -0.697 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351209 842484703 /nfs/dbraw/zinc/48/47/03/842484703.db2.gz XPXXUWRXHWZSOA-QAPCUYQASA-N 2 1 354.495 -0.129 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351307 842485031 /nfs/dbraw/zinc/48/50/31/842485031.db2.gz CGWRWTSRPQGEPP-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC001101351477 842484568 /nfs/dbraw/zinc/48/45/68/842484568.db2.gz HBRZWRCHKZPFNX-DYVFJYSZSA-N 2 1 351.451 -0.730 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351547 842484507 /nfs/dbraw/zinc/48/45/07/842484507.db2.gz JZQKTZPAVHKMMH-NUJGCVRESA-N 2 1 357.495 -0.258 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351548 842484278 /nfs/dbraw/zinc/48/42/78/842484278.db2.gz JZQKTZPAVHKMMH-RYRKJORJSA-N 2 1 357.495 -0.258 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351670 842484794 /nfs/dbraw/zinc/48/47/94/842484794.db2.gz KUZUPHIFDMENBJ-QAPCUYQASA-N 2 1 354.495 -0.129 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351774 842485054 /nfs/dbraw/zinc/48/50/54/842485054.db2.gz MRPBWENUXDRXSK-AEFFLSMTSA-N 2 1 354.495 -0.129 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)S(C)(=O)=O ZINC001101352041 842484295 /nfs/dbraw/zinc/48/42/95/842484295.db2.gz UGABLJHOXSPVQA-ZBFHGGJFSA-N 2 1 360.524 -0.390 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@]2(C)C1 ZINC001101352182 842484807 /nfs/dbraw/zinc/48/48/07/842484807.db2.gz VVIQLUQIUPVZAU-QAPCUYQASA-N 2 1 352.479 -0.423 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352246 842484604 /nfs/dbraw/zinc/48/46/04/842484604.db2.gz YTTNHOXEDSEEHF-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352367 842484492 /nfs/dbraw/zinc/48/44/92/842484492.db2.gz CLFQGVNTTLYCEM-AHIWAGSCSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352368 842484459 /nfs/dbraw/zinc/48/44/59/842484459.db2.gz CLFQGVNTTLYCEM-XNJGSVPQSA-N 2 1 353.467 -0.438 20 0 FBADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101352824 842484747 /nfs/dbraw/zinc/48/47/47/842484747.db2.gz KYUHOQLRVBRTKB-MRRJBJDNSA-N 2 1 353.467 -0.452 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363623 842486063 /nfs/dbraw/zinc/48/60/63/842486063.db2.gz YXOSTCVGZMAHKS-AHIWAGSCSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363623 842486057 /nfs/dbraw/zinc/48/60/57/842486057.db2.gz YXOSTCVGZMAHKS-AHIWAGSCSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363623 842486054 /nfs/dbraw/zinc/48/60/54/842486054.db2.gz YXOSTCVGZMAHKS-AHIWAGSCSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363624 842486947 /nfs/dbraw/zinc/48/69/47/842486947.db2.gz YXOSTCVGZMAHKS-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363624 842486943 /nfs/dbraw/zinc/48/69/43/842486943.db2.gz YXOSTCVGZMAHKS-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363624 842486939 /nfs/dbraw/zinc/48/69/39/842486939.db2.gz YXOSTCVGZMAHKS-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363863 842485801 /nfs/dbraw/zinc/48/58/01/842485801.db2.gz CNUKYBZZDLYXEX-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363863 842485793 /nfs/dbraw/zinc/48/57/93/842485793.db2.gz CNUKYBZZDLYXEX-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363863 842485786 /nfs/dbraw/zinc/48/57/86/842485786.db2.gz CNUKYBZZDLYXEX-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363864 842487037 /nfs/dbraw/zinc/48/70/37/842487037.db2.gz CNUKYBZZDLYXEX-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363864 842487033 /nfs/dbraw/zinc/48/70/33/842487033.db2.gz CNUKYBZZDLYXEX-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363864 842487029 /nfs/dbraw/zinc/48/70/29/842487029.db2.gz CNUKYBZZDLYXEX-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365843 842486633 /nfs/dbraw/zinc/48/66/33/842486633.db2.gz MIBAQGJKRXRCJY-IGCXYCKISA-N 2 1 353.467 -0.438 20 0 FBADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365910 836305849 /nfs/dbraw/zinc/30/58/49/836305849.db2.gz PFMDHUZJBUBVOF-YCPHGPKFSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H](COCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369660 842485711 /nfs/dbraw/zinc/48/57/11/842485711.db2.gz GKVUFHATTPNEIV-DAYGRLMNSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H](COCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369661 842486181 /nfs/dbraw/zinc/48/61/81/842486181.db2.gz GKVUFHATTPNEIV-RKVPGOIHSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101392726 842492469 /nfs/dbraw/zinc/49/24/69/842492469.db2.gz BAVWGTGWMYBQSO-AEFFLSMTSA-N 2 1 355.479 -0.502 20 0 FBADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101392726 842492463 /nfs/dbraw/zinc/49/24/63/842492463.db2.gz BAVWGTGWMYBQSO-AEFFLSMTSA-N 2 1 355.479 -0.502 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393052 842492400 /nfs/dbraw/zinc/49/24/00/842492400.db2.gz SPINMEWSNJZYHQ-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393052 842492393 /nfs/dbraw/zinc/49/23/93/842492393.db2.gz SPINMEWSNJZYHQ-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393053 842492741 /nfs/dbraw/zinc/49/27/41/842492741.db2.gz SPINMEWSNJZYHQ-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393053 842492737 /nfs/dbraw/zinc/49/27/37/842492737.db2.gz SPINMEWSNJZYHQ-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101397810 842493957 /nfs/dbraw/zinc/49/39/57/842493957.db2.gz IPMLUZDYBQPWNK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101400015 842493668 /nfs/dbraw/zinc/49/36/68/842493668.db2.gz CIAPDTBFFJARSD-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101400198 842494182 /nfs/dbraw/zinc/49/41/82/842494182.db2.gz LFQGBJGKBXBQLX-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101400199 842494207 /nfs/dbraw/zinc/49/42/07/842494207.db2.gz LFQGBJGKBXBQLX-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400363 842493626 /nfs/dbraw/zinc/49/36/26/842493626.db2.gz SSNFYKZPETXRBA-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400364 842493540 /nfs/dbraw/zinc/49/35/40/842493540.db2.gz SSNFYKZPETXRBA-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417134 842495588 /nfs/dbraw/zinc/49/55/88/842495588.db2.gz AXVYUYMEDJBQJA-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417134 842495584 /nfs/dbraw/zinc/49/55/84/842495584.db2.gz AXVYUYMEDJBQJA-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417134 842495579 /nfs/dbraw/zinc/49/55/79/842495579.db2.gz AXVYUYMEDJBQJA-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417135 842495129 /nfs/dbraw/zinc/49/51/29/842495129.db2.gz AXVYUYMEDJBQJA-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417135 842495118 /nfs/dbraw/zinc/49/51/18/842495118.db2.gz AXVYUYMEDJBQJA-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417135 842495109 /nfs/dbraw/zinc/49/51/09/842495109.db2.gz AXVYUYMEDJBQJA-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101418211 842494949 /nfs/dbraw/zinc/49/49/49/842494949.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101418211 842494941 /nfs/dbraw/zinc/49/49/41/842494941.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101418211 842494932 /nfs/dbraw/zinc/49/49/32/842494932.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101418211 842494925 /nfs/dbraw/zinc/49/49/25/842494925.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 2 1 350.467 -0.270 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418225 842495419 /nfs/dbraw/zinc/49/54/19/842495419.db2.gz GTMIRMJVFFNZHC-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418225 842495415 /nfs/dbraw/zinc/49/54/15/842495415.db2.gz GTMIRMJVFFNZHC-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418225 842495409 /nfs/dbraw/zinc/49/54/09/842495409.db2.gz GTMIRMJVFFNZHC-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418226 842495722 /nfs/dbraw/zinc/49/57/22/842495722.db2.gz GTMIRMJVFFNZHC-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418226 842495720 /nfs/dbraw/zinc/49/57/20/842495720.db2.gz GTMIRMJVFFNZHC-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418226 842495718 /nfs/dbraw/zinc/49/57/18/842495718.db2.gz GTMIRMJVFFNZHC-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101418453 842495623 /nfs/dbraw/zinc/49/56/23/842495623.db2.gz SDAQQIMKWUJAGK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101418453 842495620 /nfs/dbraw/zinc/49/56/20/842495620.db2.gz SDAQQIMKWUJAGK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101418453 842495616 /nfs/dbraw/zinc/49/56/16/842495616.db2.gz SDAQQIMKWUJAGK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418582 842495534 /nfs/dbraw/zinc/49/55/34/842495534.db2.gz ZDNFCLVWYAPXIF-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418582 842495532 /nfs/dbraw/zinc/49/55/32/842495532.db2.gz ZDNFCLVWYAPXIF-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418582 842495529 /nfs/dbraw/zinc/49/55/29/842495529.db2.gz ZDNFCLVWYAPXIF-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429973 842497642 /nfs/dbraw/zinc/49/76/42/842497642.db2.gz JFKANCKFKFPZFL-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429973 842497638 /nfs/dbraw/zinc/49/76/38/842497638.db2.gz JFKANCKFKFPZFL-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429973 842497635 /nfs/dbraw/zinc/49/76/35/842497635.db2.gz JFKANCKFKFPZFL-AHIWAGSCSA-N 2 1 351.451 -0.697 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429974 842497211 /nfs/dbraw/zinc/49/72/11/842497211.db2.gz JFKANCKFKFPZFL-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429974 842497206 /nfs/dbraw/zinc/49/72/06/842497206.db2.gz JFKANCKFKFPZFL-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429974 842497201 /nfs/dbraw/zinc/49/72/01/842497201.db2.gz JFKANCKFKFPZFL-XNJGSVPQSA-N 2 1 351.451 -0.697 20 0 FBADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001101431218 842497145 /nfs/dbraw/zinc/49/71/45/842497145.db2.gz FGHQZQQQKJIYNP-ZBFHGGJFSA-N 2 1 370.519 -0.588 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101431236 842497553 /nfs/dbraw/zinc/49/75/53/842497553.db2.gz GFUSYYBEHHWHJL-ZBFHGGJFSA-N 2 1 361.508 -0.611 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101431236 842497548 /nfs/dbraw/zinc/49/75/48/842497548.db2.gz GFUSYYBEHHWHJL-ZBFHGGJFSA-N 2 1 361.508 -0.611 20 0 FBADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431475 842497599 /nfs/dbraw/zinc/49/75/99/842497599.db2.gz POAGWDOUHHISEU-QAPCUYQASA-N 2 1 354.495 -0.131 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101431489 842497662 /nfs/dbraw/zinc/49/76/62/842497662.db2.gz PXTCBENDFXWILQ-QAPCUYQASA-N 2 1 352.479 -0.423 20 0 FBADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431536 842496762 /nfs/dbraw/zinc/49/67/62/842496762.db2.gz SOLKERAEKDMXBJ-PBHICJAKSA-N 2 1 350.467 -0.326 20 0 FBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431536 842496758 /nfs/dbraw/zinc/49/67/58/842496758.db2.gz SOLKERAEKDMXBJ-PBHICJAKSA-N 2 1 350.467 -0.326 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431543 842496599 /nfs/dbraw/zinc/49/65/99/842496599.db2.gz STNMKHOGQGFSLN-QAPCUYQASA-N 2 1 354.495 -0.177 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101432096 842498546 /nfs/dbraw/zinc/49/85/46/842498546.db2.gz AQQUZALTARVIGL-RKVPGOIHSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101432097 842498020 /nfs/dbraw/zinc/49/80/20/842498020.db2.gz AQQUZALTARVIGL-VKJFTORMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101432162 842499099 /nfs/dbraw/zinc/49/90/99/842499099.db2.gz FAPXFADSLYBTQD-WBVHZDCISA-N 2 1 350.467 -0.363 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101432188 842498499 /nfs/dbraw/zinc/49/84/99/842498499.db2.gz GHBDSIUUZMRMHA-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101432189 842499089 /nfs/dbraw/zinc/49/90/89/842499089.db2.gz GHBDSIUUZMRMHA-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432364 842498360 /nfs/dbraw/zinc/49/83/60/842498360.db2.gz OPDFMNKPFKWRMV-DAYGRLMNSA-N 2 1 354.495 -0.178 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432365 842499038 /nfs/dbraw/zinc/49/90/38/842499038.db2.gz OPDFMNKPFKWRMV-RKVPGOIHSA-N 2 1 354.495 -0.178 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432434 842498914 /nfs/dbraw/zinc/49/89/14/842498914.db2.gz RMOBRVZRRVAOAM-QAPCUYQASA-N 2 1 354.495 -0.129 20 0 FBADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001101432698 842498819 /nfs/dbraw/zinc/49/88/19/842498819.db2.gz XRSDGLBXNCNMOL-PBHICJAKSA-N 2 1 350.467 -0.326 20 0 FBADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001101432698 842498812 /nfs/dbraw/zinc/49/88/12/842498812.db2.gz XRSDGLBXNCNMOL-PBHICJAKSA-N 2 1 350.467 -0.326 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101432764 842498221 /nfs/dbraw/zinc/49/82/21/842498221.db2.gz ZCWPLWOBTLJWEO-KDOFPFPSSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101435581 842498797 /nfs/dbraw/zinc/49/87/97/842498797.db2.gz XQGYZBOQZDFIOY-DYVFJYSZSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101440217 842499057 /nfs/dbraw/zinc/49/90/57/842499057.db2.gz LFRGMAZWXVKVKL-DYVFJYSZSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101440217 842499054 /nfs/dbraw/zinc/49/90/54/842499054.db2.gz LFRGMAZWXVKVKL-DYVFJYSZSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101440217 842499051 /nfs/dbraw/zinc/49/90/51/842499051.db2.gz LFRGMAZWXVKVKL-DYVFJYSZSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101443591 842498597 /nfs/dbraw/zinc/49/85/97/842498597.db2.gz LLNDLHRWIFLWML-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101443591 842498591 /nfs/dbraw/zinc/49/85/91/842498591.db2.gz LLNDLHRWIFLWML-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101443591 842498585 /nfs/dbraw/zinc/49/85/85/842498585.db2.gz LLNDLHRWIFLWML-ZBFHGGJFSA-N 2 1 360.524 -0.342 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498875 /nfs/dbraw/zinc/49/88/75/842498875.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498870 /nfs/dbraw/zinc/49/88/70/842498870.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498866 /nfs/dbraw/zinc/49/88/66/842498866.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498636 /nfs/dbraw/zinc/49/86/36/842498636.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498634 /nfs/dbraw/zinc/49/86/34/842498634.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498632 /nfs/dbraw/zinc/49/86/32/842498632.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 2 1 350.463 -0.086 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443933 842498696 /nfs/dbraw/zinc/49/86/96/842498696.db2.gz QKHPKEJJBDCVPR-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443933 842498693 /nfs/dbraw/zinc/49/86/93/842498693.db2.gz QKHPKEJJBDCVPR-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443933 842498687 /nfs/dbraw/zinc/49/86/87/842498687.db2.gz QKHPKEJJBDCVPR-AHIWAGSCSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443938 842498184 /nfs/dbraw/zinc/49/81/84/842498184.db2.gz QKHPKEJJBDCVPR-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443938 842498175 /nfs/dbraw/zinc/49/81/75/842498175.db2.gz QKHPKEJJBDCVPR-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443938 842498169 /nfs/dbraw/zinc/49/81/69/842498169.db2.gz QKHPKEJJBDCVPR-XNJGSVPQSA-N 2 1 353.467 -0.308 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101444031 842499019 /nfs/dbraw/zinc/49/90/19/842499019.db2.gz UTCORNSMTKYECK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101444031 842499017 /nfs/dbraw/zinc/49/90/17/842499017.db2.gz UTCORNSMTKYECK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101444031 842499015 /nfs/dbraw/zinc/49/90/15/842499015.db2.gz UTCORNSMTKYECK-DYVFJYSZSA-N 2 1 353.467 -0.436 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460544 842501325 /nfs/dbraw/zinc/50/13/25/842501325.db2.gz KPKSOKBHPRNFBQ-AHIWAGSCSA-N 2 1 351.451 -0.826 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460544 842501317 /nfs/dbraw/zinc/50/13/17/842501317.db2.gz KPKSOKBHPRNFBQ-AHIWAGSCSA-N 2 1 351.451 -0.826 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460544 842501308 /nfs/dbraw/zinc/50/13/08/842501308.db2.gz KPKSOKBHPRNFBQ-AHIWAGSCSA-N 2 1 351.451 -0.826 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460545 842502197 /nfs/dbraw/zinc/50/21/97/842502197.db2.gz KPKSOKBHPRNFBQ-XNJGSVPQSA-N 2 1 351.451 -0.826 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460545 842502194 /nfs/dbraw/zinc/50/21/94/842502194.db2.gz KPKSOKBHPRNFBQ-XNJGSVPQSA-N 2 1 351.451 -0.826 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460545 842502187 /nfs/dbraw/zinc/50/21/87/842502187.db2.gz KPKSOKBHPRNFBQ-XNJGSVPQSA-N 2 1 351.451 -0.826 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460839 842502018 /nfs/dbraw/zinc/50/20/18/842502018.db2.gz ZGJOCYYJXVHZAW-FMKPAKJESA-N 2 1 358.508 -0.732 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460839 842502013 /nfs/dbraw/zinc/50/20/13/842502013.db2.gz ZGJOCYYJXVHZAW-FMKPAKJESA-N 2 1 358.508 -0.732 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460839 842502010 /nfs/dbraw/zinc/50/20/10/842502010.db2.gz ZGJOCYYJXVHZAW-FMKPAKJESA-N 2 1 358.508 -0.732 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460840 842501380 /nfs/dbraw/zinc/50/13/80/842501380.db2.gz ZGJOCYYJXVHZAW-LZWOXQAQSA-N 2 1 358.508 -0.732 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460840 842501371 /nfs/dbraw/zinc/50/13/71/842501371.db2.gz ZGJOCYYJXVHZAW-LZWOXQAQSA-N 2 1 358.508 -0.732 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460840 842501364 /nfs/dbraw/zinc/50/13/64/842501364.db2.gz ZGJOCYYJXVHZAW-LZWOXQAQSA-N 2 1 358.508 -0.732 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101461417 842501958 /nfs/dbraw/zinc/50/19/58/842501958.db2.gz ADLIGFPSNDNOKZ-ZBFHGGJFSA-N 2 1 369.491 -0.479 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101461417 842501953 /nfs/dbraw/zinc/50/19/53/842501953.db2.gz ADLIGFPSNDNOKZ-ZBFHGGJFSA-N 2 1 369.491 -0.479 20 0 FBADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001101461679 842501904 /nfs/dbraw/zinc/50/19/04/842501904.db2.gz OFWZDGSRPDWDNB-ZBFHGGJFSA-N 2 1 358.508 -0.588 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461760 842503604 /nfs/dbraw/zinc/50/36/04/842503604.db2.gz SEERDCFRMZJFER-DYVFJYSZSA-N 2 1 351.451 -0.682 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461828 842503043 /nfs/dbraw/zinc/50/30/43/842503043.db2.gz VJYQBACGUAKJKZ-AHIWAGSCSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461829 842503854 /nfs/dbraw/zinc/50/38/54/842503854.db2.gz VJYQBACGUAKJKZ-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469525 842507523 /nfs/dbraw/zinc/50/75/23/842507523.db2.gz VQPGKBFPSOALAI-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469525 842507520 /nfs/dbraw/zinc/50/75/20/842507520.db2.gz VQPGKBFPSOALAI-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469525 842507513 /nfs/dbraw/zinc/50/75/13/842507513.db2.gz VQPGKBFPSOALAI-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469525 842507507 /nfs/dbraw/zinc/50/75/07/842507507.db2.gz VQPGKBFPSOALAI-NUJGCVRESA-N 2 1 355.479 -0.504 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469526 842507779 /nfs/dbraw/zinc/50/77/79/842507779.db2.gz VQPGKBFPSOALAI-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469526 842507768 /nfs/dbraw/zinc/50/77/68/842507768.db2.gz VQPGKBFPSOALAI-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469526 842507756 /nfs/dbraw/zinc/50/77/56/842507756.db2.gz VQPGKBFPSOALAI-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101469526 842507720 /nfs/dbraw/zinc/50/77/20/842507720.db2.gz VQPGKBFPSOALAI-RYRKJORJSA-N 2 1 355.479 -0.504 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476305 842509393 /nfs/dbraw/zinc/50/93/93/842509393.db2.gz NBBKYGFSZIJYPD-AHIWAGSCSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476305 842509387 /nfs/dbraw/zinc/50/93/87/842509387.db2.gz NBBKYGFSZIJYPD-AHIWAGSCSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476305 842509380 /nfs/dbraw/zinc/50/93/80/842509380.db2.gz NBBKYGFSZIJYPD-AHIWAGSCSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476306 842509722 /nfs/dbraw/zinc/50/97/22/842509722.db2.gz NBBKYGFSZIJYPD-XNJGSVPQSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476306 842509717 /nfs/dbraw/zinc/50/97/17/842509717.db2.gz NBBKYGFSZIJYPD-XNJGSVPQSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476306 842509712 /nfs/dbraw/zinc/50/97/12/842509712.db2.gz NBBKYGFSZIJYPD-XNJGSVPQSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509346 /nfs/dbraw/zinc/50/93/46/842509346.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 2 1 350.463 -0.088 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509342 /nfs/dbraw/zinc/50/93/42/842509342.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 2 1 350.463 -0.088 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509337 /nfs/dbraw/zinc/50/93/37/842509337.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 2 1 350.463 -0.088 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510029 /nfs/dbraw/zinc/51/00/29/842510029.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 2 1 350.463 -0.088 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510020 /nfs/dbraw/zinc/51/00/20/842510020.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 2 1 350.463 -0.088 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510014 /nfs/dbraw/zinc/51/00/14/842510014.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 2 1 350.463 -0.088 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477455 842509600 /nfs/dbraw/zinc/50/96/00/842509600.db2.gz VGTURJDIRXMVJW-DYVFJYSZSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477455 842509593 /nfs/dbraw/zinc/50/95/93/842509593.db2.gz VGTURJDIRXMVJW-DYVFJYSZSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477455 842509587 /nfs/dbraw/zinc/50/95/87/842509587.db2.gz VGTURJDIRXMVJW-DYVFJYSZSA-N 2 1 353.467 -0.438 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101478316 842509658 /nfs/dbraw/zinc/50/96/58/842509658.db2.gz IWNWDOBLWAIWQO-ZBFHGGJFSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101478316 842509651 /nfs/dbraw/zinc/50/96/51/842509651.db2.gz IWNWDOBLWAIWQO-ZBFHGGJFSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101478316 842509650 /nfs/dbraw/zinc/50/96/50/842509650.db2.gz IWNWDOBLWAIWQO-ZBFHGGJFSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815540 842533524 /nfs/dbraw/zinc/53/35/24/842533524.db2.gz KCDKOCVFDCZRER-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815540 842533520 /nfs/dbraw/zinc/53/35/20/842533520.db2.gz KCDKOCVFDCZRER-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815540 842533515 /nfs/dbraw/zinc/53/35/15/842533515.db2.gz KCDKOCVFDCZRER-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815541 842532487 /nfs/dbraw/zinc/53/24/87/842532487.db2.gz KCDKOCVFDCZRER-OIISXLGYSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815541 842532480 /nfs/dbraw/zinc/53/24/80/842532480.db2.gz KCDKOCVFDCZRER-OIISXLGYSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815541 842532474 /nfs/dbraw/zinc/53/24/74/842532474.db2.gz KCDKOCVFDCZRER-OIISXLGYSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815605 842532300 /nfs/dbraw/zinc/53/23/00/842532300.db2.gz MCYVFWAIJKVLEE-KFWWJZLASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815605 842532293 /nfs/dbraw/zinc/53/22/93/842532293.db2.gz MCYVFWAIJKVLEE-KFWWJZLASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815605 842532287 /nfs/dbraw/zinc/53/22/87/842532287.db2.gz MCYVFWAIJKVLEE-KFWWJZLASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815606 842533163 /nfs/dbraw/zinc/53/31/63/842533163.db2.gz MCYVFWAIJKVLEE-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815606 842533154 /nfs/dbraw/zinc/53/31/54/842533154.db2.gz MCYVFWAIJKVLEE-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815606 842533143 /nfs/dbraw/zinc/53/31/43/842533143.db2.gz MCYVFWAIJKVLEE-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815722 842533497 /nfs/dbraw/zinc/53/34/97/842533497.db2.gz PWKYGHPSGLVBRS-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815722 842533494 /nfs/dbraw/zinc/53/34/94/842533494.db2.gz PWKYGHPSGLVBRS-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815722 842533489 /nfs/dbraw/zinc/53/34/89/842533489.db2.gz PWKYGHPSGLVBRS-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815723 842532632 /nfs/dbraw/zinc/53/26/32/842532632.db2.gz PWKYGHPSGLVBRS-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815723 842532626 /nfs/dbraw/zinc/53/26/26/842532626.db2.gz PWKYGHPSGLVBRS-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815723 842532618 /nfs/dbraw/zinc/53/26/18/842532618.db2.gz PWKYGHPSGLVBRS-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819745 842534771 /nfs/dbraw/zinc/53/47/71/842534771.db2.gz SPTYHTAVTIDHEG-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819745 842534758 /nfs/dbraw/zinc/53/47/58/842534758.db2.gz SPTYHTAVTIDHEG-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819745 842534750 /nfs/dbraw/zinc/53/47/50/842534750.db2.gz SPTYHTAVTIDHEG-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819746 842534092 /nfs/dbraw/zinc/53/40/92/842534092.db2.gz SPTYHTAVTIDHEG-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819746 842534079 /nfs/dbraw/zinc/53/40/79/842534079.db2.gz SPTYHTAVTIDHEG-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819746 842534068 /nfs/dbraw/zinc/53/40/68/842534068.db2.gz SPTYHTAVTIDHEG-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819789 842534383 /nfs/dbraw/zinc/53/43/83/842534383.db2.gz UMORTPRLECNGJI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819789 842534377 /nfs/dbraw/zinc/53/43/77/842534377.db2.gz UMORTPRLECNGJI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819789 842534367 /nfs/dbraw/zinc/53/43/67/842534367.db2.gz UMORTPRLECNGJI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819790 842535373 /nfs/dbraw/zinc/53/53/73/842535373.db2.gz UMORTPRLECNGJI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819790 842535362 /nfs/dbraw/zinc/53/53/62/842535362.db2.gz UMORTPRLECNGJI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819790 842535356 /nfs/dbraw/zinc/53/53/56/842535356.db2.gz UMORTPRLECNGJI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819909 842534431 /nfs/dbraw/zinc/53/44/31/842534431.db2.gz XLEMURMBXZUYSM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819909 842534423 /nfs/dbraw/zinc/53/44/23/842534423.db2.gz XLEMURMBXZUYSM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819909 842534414 /nfs/dbraw/zinc/53/44/14/842534414.db2.gz XLEMURMBXZUYSM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819910 842534605 /nfs/dbraw/zinc/53/46/05/842534605.db2.gz XLEMURMBXZUYSM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819910 842534597 /nfs/dbraw/zinc/53/45/97/842534597.db2.gz XLEMURMBXZUYSM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819910 842534584 /nfs/dbraw/zinc/53/45/84/842534584.db2.gz XLEMURMBXZUYSM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101843980 842538403 /nfs/dbraw/zinc/53/84/03/842538403.db2.gz GLPWTWDNBRQQLZ-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101843980 842538398 /nfs/dbraw/zinc/53/83/98/842538398.db2.gz GLPWTWDNBRQQLZ-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101843980 842538390 /nfs/dbraw/zinc/53/83/90/842538390.db2.gz GLPWTWDNBRQQLZ-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101843980 842538381 /nfs/dbraw/zinc/53/83/81/842538381.db2.gz GLPWTWDNBRQQLZ-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101843981 842538867 /nfs/dbraw/zinc/53/88/67/842538867.db2.gz GLPWTWDNBRQQLZ-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101843981 842538863 /nfs/dbraw/zinc/53/88/63/842538863.db2.gz GLPWTWDNBRQQLZ-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101843981 842538855 /nfs/dbraw/zinc/53/88/55/842538855.db2.gz GLPWTWDNBRQQLZ-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101843981 842538849 /nfs/dbraw/zinc/53/88/49/842538849.db2.gz GLPWTWDNBRQQLZ-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844005 842539184 /nfs/dbraw/zinc/53/91/84/842539184.db2.gz HNGJZNUTDYKPSR-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844005 842539176 /nfs/dbraw/zinc/53/91/76/842539176.db2.gz HNGJZNUTDYKPSR-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844005 842539170 /nfs/dbraw/zinc/53/91/70/842539170.db2.gz HNGJZNUTDYKPSR-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844005 842539161 /nfs/dbraw/zinc/53/91/61/842539161.db2.gz HNGJZNUTDYKPSR-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844006 842538551 /nfs/dbraw/zinc/53/85/51/842538551.db2.gz HNGJZNUTDYKPSR-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844006 842538547 /nfs/dbraw/zinc/53/85/47/842538547.db2.gz HNGJZNUTDYKPSR-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844006 842538544 /nfs/dbraw/zinc/53/85/44/842538544.db2.gz HNGJZNUTDYKPSR-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844006 842538540 /nfs/dbraw/zinc/53/85/40/842538540.db2.gz HNGJZNUTDYKPSR-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844068 842538699 /nfs/dbraw/zinc/53/86/99/842538699.db2.gz JRORQSZYRCJTBE-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844068 842538696 /nfs/dbraw/zinc/53/86/96/842538696.db2.gz JRORQSZYRCJTBE-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844068 842538687 /nfs/dbraw/zinc/53/86/87/842538687.db2.gz JRORQSZYRCJTBE-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844068 842538681 /nfs/dbraw/zinc/53/86/81/842538681.db2.gz JRORQSZYRCJTBE-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844069 842537798 /nfs/dbraw/zinc/53/77/98/842537798.db2.gz JRORQSZYRCJTBE-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844069 842537787 /nfs/dbraw/zinc/53/77/87/842537787.db2.gz JRORQSZYRCJTBE-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844069 842537783 /nfs/dbraw/zinc/53/77/83/842537783.db2.gz JRORQSZYRCJTBE-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844069 842537776 /nfs/dbraw/zinc/53/77/76/842537776.db2.gz JRORQSZYRCJTBE-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844130 842539409 /nfs/dbraw/zinc/53/94/09/842539409.db2.gz MXELIEQDPXKASA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844130 842539407 /nfs/dbraw/zinc/53/94/07/842539407.db2.gz MXELIEQDPXKASA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844130 842539399 /nfs/dbraw/zinc/53/93/99/842539399.db2.gz MXELIEQDPXKASA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844130 842539391 /nfs/dbraw/zinc/53/93/91/842539391.db2.gz MXELIEQDPXKASA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844131 842539108 /nfs/dbraw/zinc/53/91/08/842539108.db2.gz MXELIEQDPXKASA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844131 842539098 /nfs/dbraw/zinc/53/90/98/842539098.db2.gz MXELIEQDPXKASA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844131 842539092 /nfs/dbraw/zinc/53/90/92/842539092.db2.gz MXELIEQDPXKASA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844131 842539085 /nfs/dbraw/zinc/53/90/85/842539085.db2.gz MXELIEQDPXKASA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844388 842538080 /nfs/dbraw/zinc/53/80/80/842538080.db2.gz YJISJAJDRMIDMN-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844388 842538067 /nfs/dbraw/zinc/53/80/67/842538067.db2.gz YJISJAJDRMIDMN-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844388 842538057 /nfs/dbraw/zinc/53/80/57/842538057.db2.gz YJISJAJDRMIDMN-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844388 842538046 /nfs/dbraw/zinc/53/80/46/842538046.db2.gz YJISJAJDRMIDMN-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844389 842539310 /nfs/dbraw/zinc/53/93/10/842539310.db2.gz YJISJAJDRMIDMN-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844389 842539302 /nfs/dbraw/zinc/53/93/02/842539302.db2.gz YJISJAJDRMIDMN-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844389 842539293 /nfs/dbraw/zinc/53/92/93/842539293.db2.gz YJISJAJDRMIDMN-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844389 842539288 /nfs/dbraw/zinc/53/92/88/842539288.db2.gz YJISJAJDRMIDMN-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958921 842556766 /nfs/dbraw/zinc/55/67/66/842556766.db2.gz XNCAHGMCAKLGAK-MCIONIFRSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958921 842556755 /nfs/dbraw/zinc/55/67/55/842556755.db2.gz XNCAHGMCAKLGAK-MCIONIFRSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958921 842556748 /nfs/dbraw/zinc/55/67/48/842556748.db2.gz XNCAHGMCAKLGAK-MCIONIFRSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958922 842557230 /nfs/dbraw/zinc/55/72/30/842557230.db2.gz XNCAHGMCAKLGAK-MGPQQGTHSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958922 842557222 /nfs/dbraw/zinc/55/72/22/842557222.db2.gz XNCAHGMCAKLGAK-MGPQQGTHSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958922 842557216 /nfs/dbraw/zinc/55/72/16/842557216.db2.gz XNCAHGMCAKLGAK-MGPQQGTHSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976304 842560452 /nfs/dbraw/zinc/56/04/52/842560452.db2.gz WLEXTXRQWCFBQT-BNOWGMLFSA-N 2 1 351.451 -0.793 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976305 842559406 /nfs/dbraw/zinc/55/94/06/842559406.db2.gz WLEXTXRQWCFBQT-MRVWCRGKSA-N 2 1 351.451 -0.793 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982664 842561715 /nfs/dbraw/zinc/56/17/15/842561715.db2.gz CHDKKWWWDRBLHK-LVQVYYBASA-N 2 1 374.551 -0.050 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982664 842561708 /nfs/dbraw/zinc/56/17/08/842561708.db2.gz CHDKKWWWDRBLHK-LVQVYYBASA-N 2 1 374.551 -0.050 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982664 842561701 /nfs/dbraw/zinc/56/17/01/842561701.db2.gz CHDKKWWWDRBLHK-LVQVYYBASA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982806 842561414 /nfs/dbraw/zinc/56/14/14/842561414.db2.gz KDXLVIWNIVDDNO-KBUPBQIOSA-N 2 1 360.524 -0.440 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982806 842561404 /nfs/dbraw/zinc/56/14/04/842561404.db2.gz KDXLVIWNIVDDNO-KBUPBQIOSA-N 2 1 360.524 -0.440 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982806 842561397 /nfs/dbraw/zinc/56/13/97/842561397.db2.gz KDXLVIWNIVDDNO-KBUPBQIOSA-N 2 1 360.524 -0.440 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982845 842561234 /nfs/dbraw/zinc/56/12/34/842561234.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 2 1 374.551 -0.098 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982845 842561226 /nfs/dbraw/zinc/56/12/26/842561226.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 2 1 374.551 -0.098 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982845 842561222 /nfs/dbraw/zinc/56/12/22/842561222.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 2 1 374.551 -0.098 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982873 842562457 /nfs/dbraw/zinc/56/24/57/842562457.db2.gz OWASVEOYWGZLLK-AAVRWANBSA-N 2 1 353.467 -0.534 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982873 842562449 /nfs/dbraw/zinc/56/24/49/842562449.db2.gz OWASVEOYWGZLLK-AAVRWANBSA-N 2 1 353.467 -0.534 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982873 842562442 /nfs/dbraw/zinc/56/24/42/842562442.db2.gz OWASVEOYWGZLLK-AAVRWANBSA-N 2 1 353.467 -0.534 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982918 842562271 /nfs/dbraw/zinc/56/22/71/842562271.db2.gz RSTJAYXYKXZZSM-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982918 842562260 /nfs/dbraw/zinc/56/22/60/842562260.db2.gz RSTJAYXYKXZZSM-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982918 842562254 /nfs/dbraw/zinc/56/22/54/842562254.db2.gz RSTJAYXYKXZZSM-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001101982973 842562166 /nfs/dbraw/zinc/56/21/66/842562166.db2.gz VKVZHRXIUGPCOS-YIYPIFLZSA-N 2 1 353.467 -0.404 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001101982973 842562157 /nfs/dbraw/zinc/56/21/57/842562157.db2.gz VKVZHRXIUGPCOS-YIYPIFLZSA-N 2 1 353.467 -0.404 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982973 842562146 /nfs/dbraw/zinc/56/21/46/842562146.db2.gz VKVZHRXIUGPCOS-YIYPIFLZSA-N 2 1 353.467 -0.404 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102015463 842569015 /nfs/dbraw/zinc/56/90/15/842569015.db2.gz GOTYXWQTUKILNE-JHJVBQTASA-N 2 1 359.446 -0.455 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102015464 842569715 /nfs/dbraw/zinc/56/97/15/842569715.db2.gz GOTYXWQTUKILNE-UPJWGTAASA-N 2 1 359.446 -0.455 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021631 842576306 /nfs/dbraw/zinc/57/63/06/842576306.db2.gz VEDYXMWZTVYFIZ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021631 842576299 /nfs/dbraw/zinc/57/62/99/842576299.db2.gz VEDYXMWZTVYFIZ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021631 842576291 /nfs/dbraw/zinc/57/62/91/842576291.db2.gz VEDYXMWZTVYFIZ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021632 842576582 /nfs/dbraw/zinc/57/65/82/842576582.db2.gz VEDYXMWZTVYFIZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021632 842576575 /nfs/dbraw/zinc/57/65/75/842576575.db2.gz VEDYXMWZTVYFIZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021632 842576573 /nfs/dbraw/zinc/57/65/73/842576573.db2.gz VEDYXMWZTVYFIZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045167 842580297 /nfs/dbraw/zinc/58/02/97/842580297.db2.gz UVULFXRQIUAKKM-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045168 842579680 /nfs/dbraw/zinc/57/96/80/842579680.db2.gz UVULFXRQIUAKKM-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045198 842579901 /nfs/dbraw/zinc/57/99/01/842579901.db2.gz WUPPQLKEONLCID-KFWWJZLASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045198 842579893 /nfs/dbraw/zinc/57/98/93/842579893.db2.gz WUPPQLKEONLCID-KFWWJZLASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045199 842580252 /nfs/dbraw/zinc/58/02/52/842580252.db2.gz WUPPQLKEONLCID-RBSFLKMASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045199 842580243 /nfs/dbraw/zinc/58/02/43/842580243.db2.gz WUPPQLKEONLCID-RBSFLKMASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045876 842579818 /nfs/dbraw/zinc/57/98/18/842579818.db2.gz ALCHRNIHIBDCJQ-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045970 842579368 /nfs/dbraw/zinc/57/93/68/842579368.db2.gz FOFYSLXVZMZLRR-MCIONIFRSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045971 842579839 /nfs/dbraw/zinc/57/98/39/842579839.db2.gz FOFYSLXVZMZLRR-MGPQQGTHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047283 842579954 /nfs/dbraw/zinc/57/99/54/842579954.db2.gz ASNXSLGAZJUBMS-KYOSRNDESA-N 2 1 350.467 -0.367 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047284 842580919 /nfs/dbraw/zinc/58/09/19/842580919.db2.gz ASNXSLGAZJUBMS-UXIGCNINSA-N 2 1 350.467 -0.367 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047510 842582218 /nfs/dbraw/zinc/58/22/18/842582218.db2.gz JMZUNRXVMDGPDK-KYOSRNDESA-N 2 1 353.467 -0.534 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047511 842581633 /nfs/dbraw/zinc/58/16/33/842581633.db2.gz JMZUNRXVMDGPDK-UXIGCNINSA-N 2 1 353.467 -0.534 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047931 842581763 /nfs/dbraw/zinc/58/17/63/842581763.db2.gz YOBUGMZEUFHJBM-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048547 842582022 /nfs/dbraw/zinc/58/20/22/842582022.db2.gz GFKCNZQVBWFFCR-BPLDGKMQSA-N 2 1 360.524 -0.440 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048548 842581580 /nfs/dbraw/zinc/58/15/80/842581580.db2.gz GFKCNZQVBWFFCR-YUELXQCFSA-N 2 1 360.524 -0.440 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051686 842581410 /nfs/dbraw/zinc/58/14/10/842581410.db2.gz FXACYJSCFGIGDB-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051686 842581398 /nfs/dbraw/zinc/58/13/98/842581398.db2.gz FXACYJSCFGIGDB-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051686 842581392 /nfs/dbraw/zinc/58/13/92/842581392.db2.gz FXACYJSCFGIGDB-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051694 842581698 /nfs/dbraw/zinc/58/16/98/842581698.db2.gz GQSFRFPJTRSVBN-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051694 842581695 /nfs/dbraw/zinc/58/16/95/842581695.db2.gz GQSFRFPJTRSVBN-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051694 842581687 /nfs/dbraw/zinc/58/16/87/842581687.db2.gz GQSFRFPJTRSVBN-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051726 842581087 /nfs/dbraw/zinc/58/10/87/842581087.db2.gz ITTOSICCVOXJME-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051726 842581073 /nfs/dbraw/zinc/58/10/73/842581073.db2.gz ITTOSICCVOXJME-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051726 842581060 /nfs/dbraw/zinc/58/10/60/842581060.db2.gz ITTOSICCVOXJME-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051727 842582194 /nfs/dbraw/zinc/58/21/94/842582194.db2.gz ITTOSICCVOXJME-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051727 842582189 /nfs/dbraw/zinc/58/21/89/842582189.db2.gz ITTOSICCVOXJME-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051727 842582184 /nfs/dbraw/zinc/58/21/84/842582184.db2.gz ITTOSICCVOXJME-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051828 842581217 /nfs/dbraw/zinc/58/12/17/842581217.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051828 842581207 /nfs/dbraw/zinc/58/12/07/842581207.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051828 842581197 /nfs/dbraw/zinc/58/11/97/842581197.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051829 842581907 /nfs/dbraw/zinc/58/19/07/842581907.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051829 842581902 /nfs/dbraw/zinc/58/19/02/842581902.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051829 842581897 /nfs/dbraw/zinc/58/18/97/842581897.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 2 1 350.463 -0.040 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059144 842583470 /nfs/dbraw/zinc/58/34/70/842583470.db2.gz CWNCHTOABYYOHP-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059144 842583462 /nfs/dbraw/zinc/58/34/62/842583462.db2.gz CWNCHTOABYYOHP-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059144 842583459 /nfs/dbraw/zinc/58/34/59/842583459.db2.gz CWNCHTOABYYOHP-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059145 842583600 /nfs/dbraw/zinc/58/36/00/842583600.db2.gz CWNCHTOABYYOHP-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059145 842583597 /nfs/dbraw/zinc/58/35/97/842583597.db2.gz CWNCHTOABYYOHP-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059145 842583593 /nfs/dbraw/zinc/58/35/93/842583593.db2.gz CWNCHTOABYYOHP-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070561 842585625 /nfs/dbraw/zinc/58/56/25/842585625.db2.gz NINYMZSQHMDCFV-NFAWXSAZSA-N 2 1 355.483 -0.288 20 0 FBADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001102071007 842585573 /nfs/dbraw/zinc/58/55/73/842585573.db2.gz ZHVNUPYSKZWAPJ-NFAWXSAZSA-N 2 1 352.483 -0.121 20 0 FBADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102071303 842584595 /nfs/dbraw/zinc/58/45/95/842584595.db2.gz JNPRMQMDYITYII-KFWWJZLASA-N 2 1 362.540 -0.194 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078631 842587341 /nfs/dbraw/zinc/58/73/41/842587341.db2.gz BPBBXZQIROLRFM-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078631 842587335 /nfs/dbraw/zinc/58/73/35/842587335.db2.gz BPBBXZQIROLRFM-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078631 842587326 /nfs/dbraw/zinc/58/73/26/842587326.db2.gz BPBBXZQIROLRFM-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078631 842587316 /nfs/dbraw/zinc/58/73/16/842587316.db2.gz BPBBXZQIROLRFM-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078646 842586506 /nfs/dbraw/zinc/58/65/06/842586506.db2.gz BVLGPLBWKOZLOM-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078646 842586498 /nfs/dbraw/zinc/58/64/98/842586498.db2.gz BVLGPLBWKOZLOM-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078646 842586488 /nfs/dbraw/zinc/58/64/88/842586488.db2.gz BVLGPLBWKOZLOM-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078646 842586482 /nfs/dbraw/zinc/58/64/82/842586482.db2.gz BVLGPLBWKOZLOM-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079140 842587232 /nfs/dbraw/zinc/58/72/32/842587232.db2.gz XQKQPSSDMFYBJD-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079140 842587223 /nfs/dbraw/zinc/58/72/23/842587223.db2.gz XQKQPSSDMFYBJD-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079140 842587216 /nfs/dbraw/zinc/58/72/16/842587216.db2.gz XQKQPSSDMFYBJD-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079140 842587208 /nfs/dbraw/zinc/58/72/08/842587208.db2.gz XQKQPSSDMFYBJD-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086014 842586964 /nfs/dbraw/zinc/58/69/64/842586964.db2.gz MVEDGDWHVQYYKX-HUUCEWRRSA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086051 842586172 /nfs/dbraw/zinc/58/61/72/842586172.db2.gz OHDNDJYAGNITDX-QLFBSQMISA-N 2 1 354.495 -0.097 20 0 FBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086052 842587065 /nfs/dbraw/zinc/58/70/65/842587065.db2.gz OHDNDJYAGNITDX-RBSFLKMASA-N 2 1 354.495 -0.097 20 0 FBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001102087899 842587363 /nfs/dbraw/zinc/58/73/63/842587363.db2.gz AMDOUJUVDMKQTK-MGPQQGTHSA-N 2 1 353.467 -0.438 20 0 FBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102087967 842586686 /nfs/dbraw/zinc/58/66/86/842586686.db2.gz FMDNQFMDOULXHF-RBSFLKMASA-N 2 1 362.540 -0.098 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087992 842586579 /nfs/dbraw/zinc/58/65/79/842586579.db2.gz GOPJKABVBGAIMW-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102088460 842586944 /nfs/dbraw/zinc/58/69/44/842586944.db2.gz WKKLTCBHIPNRPA-RBSFLKMASA-N 2 1 362.540 -0.050 20 0 FBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102088491 842586839 /nfs/dbraw/zinc/58/68/39/842586839.db2.gz YALRSELWABODCY-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090989 842586370 /nfs/dbraw/zinc/58/63/70/842586370.db2.gz MUHKDNXNVMZCFN-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090989 842586363 /nfs/dbraw/zinc/58/63/63/842586363.db2.gz MUHKDNXNVMZCFN-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090989 842586358 /nfs/dbraw/zinc/58/63/58/842586358.db2.gz MUHKDNXNVMZCFN-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090990 842586665 /nfs/dbraw/zinc/58/66/65/842586665.db2.gz MUHKDNXNVMZCFN-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090990 842586661 /nfs/dbraw/zinc/58/66/61/842586661.db2.gz MUHKDNXNVMZCFN-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090990 842586656 /nfs/dbraw/zinc/58/66/56/842586656.db2.gz MUHKDNXNVMZCFN-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001102091231 842588395 /nfs/dbraw/zinc/58/83/95/842588395.db2.gz YIACFKAIJQEAII-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001102091231 842588389 /nfs/dbraw/zinc/58/83/89/842588389.db2.gz YIACFKAIJQEAII-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102091231 842588387 /nfs/dbraw/zinc/58/83/87/842588387.db2.gz YIACFKAIJQEAII-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001102091232 842588674 /nfs/dbraw/zinc/58/86/74/842588674.db2.gz YIACFKAIJQEAII-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001102091232 842588667 /nfs/dbraw/zinc/58/86/67/842588667.db2.gz YIACFKAIJQEAII-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102091232 842588660 /nfs/dbraw/zinc/58/86/60/842588660.db2.gz YIACFKAIJQEAII-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591944 /nfs/dbraw/zinc/59/19/44/842591944.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591937 /nfs/dbraw/zinc/59/19/37/842591937.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591927 /nfs/dbraw/zinc/59/19/27/842591927.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590905 /nfs/dbraw/zinc/59/09/05/842590905.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590900 /nfs/dbraw/zinc/59/09/00/842590900.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590892 /nfs/dbraw/zinc/59/08/92/842590892.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591120 /nfs/dbraw/zinc/59/11/20/842591120.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591119 /nfs/dbraw/zinc/59/11/19/842591119.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591113 /nfs/dbraw/zinc/59/11/13/842591113.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102104153 842591282 /nfs/dbraw/zinc/59/12/82/842591282.db2.gz IHLBIOMTQHWYCL-CHWSQXEVSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102104153 842591272 /nfs/dbraw/zinc/59/12/72/842591272.db2.gz IHLBIOMTQHWYCL-CHWSQXEVSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102104153 842591266 /nfs/dbraw/zinc/59/12/66/842591266.db2.gz IHLBIOMTQHWYCL-CHWSQXEVSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119411 842596018 /nfs/dbraw/zinc/59/60/18/842596018.db2.gz KNECNGVDAGAGAC-CHWSQXEVSA-N 2 1 351.451 -0.506 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102156201 842600148 /nfs/dbraw/zinc/60/01/48/842600148.db2.gz MWADNEVZVRSZJT-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102156201 842600138 /nfs/dbraw/zinc/60/01/38/842600138.db2.gz MWADNEVZVRSZJT-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156235 842600512 /nfs/dbraw/zinc/60/05/12/842600512.db2.gz OKKOREZRZRGXRS-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156235 842600504 /nfs/dbraw/zinc/60/05/04/842600504.db2.gz OKKOREZRZRGXRS-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102157884 842600783 /nfs/dbraw/zinc/60/07/83/842600783.db2.gz SCYGIVJPHUZIAQ-KGYLQXTDSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102157884 842600779 /nfs/dbraw/zinc/60/07/79/842600779.db2.gz SCYGIVJPHUZIAQ-KGYLQXTDSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102157885 842600343 /nfs/dbraw/zinc/60/03/43/842600343.db2.gz SCYGIVJPHUZIAQ-RAIGVLPGSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102157885 842600335 /nfs/dbraw/zinc/60/03/35/842600335.db2.gz SCYGIVJPHUZIAQ-RAIGVLPGSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102157913 842600843 /nfs/dbraw/zinc/60/08/43/842600843.db2.gz UKBXCAOWAIWYOX-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102157913 842600839 /nfs/dbraw/zinc/60/08/39/842600839.db2.gz UKBXCAOWAIWYOX-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157985 842600727 /nfs/dbraw/zinc/60/07/27/842600727.db2.gz YCBVAASFDRBWOJ-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157985 842600724 /nfs/dbraw/zinc/60/07/24/842600724.db2.gz YCBVAASFDRBWOJ-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215732 842608957 /nfs/dbraw/zinc/60/89/57/842608957.db2.gz WMJSUABNLBMACN-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273476 842613810 /nfs/dbraw/zinc/61/38/10/842613810.db2.gz CMHLVRQKFRUFLU-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273476 842613805 /nfs/dbraw/zinc/61/38/05/842613805.db2.gz CMHLVRQKFRUFLU-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273476 842613795 /nfs/dbraw/zinc/61/37/95/842613795.db2.gz CMHLVRQKFRUFLU-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273477 842613670 /nfs/dbraw/zinc/61/36/70/842613670.db2.gz CMHLVRQKFRUFLU-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273477 842613666 /nfs/dbraw/zinc/61/36/66/842613666.db2.gz CMHLVRQKFRUFLU-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273477 842613657 /nfs/dbraw/zinc/61/36/57/842613657.db2.gz CMHLVRQKFRUFLU-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102273538 842613019 /nfs/dbraw/zinc/61/30/19/842613019.db2.gz FYUDEYLIPDCFBE-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102273538 842613011 /nfs/dbraw/zinc/61/30/11/842613011.db2.gz FYUDEYLIPDCFBE-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102273538 842613002 /nfs/dbraw/zinc/61/30/02/842613002.db2.gz FYUDEYLIPDCFBE-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102273539 842613105 /nfs/dbraw/zinc/61/31/05/842613105.db2.gz FYUDEYLIPDCFBE-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102273539 842613091 /nfs/dbraw/zinc/61/30/91/842613091.db2.gz FYUDEYLIPDCFBE-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102273539 842613076 /nfs/dbraw/zinc/61/30/76/842613076.db2.gz FYUDEYLIPDCFBE-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001102276431 842613362 /nfs/dbraw/zinc/61/33/62/842613362.db2.gz OOSLENXQFWGBGS-ZOBORPQBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001102276431 842613358 /nfs/dbraw/zinc/61/33/58/842613358.db2.gz OOSLENXQFWGBGS-ZOBORPQBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276431 842613354 /nfs/dbraw/zinc/61/33/54/842613354.db2.gz OOSLENXQFWGBGS-ZOBORPQBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286880 842613308 /nfs/dbraw/zinc/61/33/08/842613308.db2.gz BEEATXQWNABNHZ-CHWSQXEVSA-N 2 1 350.467 -0.366 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288604 842614830 /nfs/dbraw/zinc/61/48/30/842614830.db2.gz LYDVMHAFMZAJKF-CHWSQXEVSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289977 842614744 /nfs/dbraw/zinc/61/47/44/842614744.db2.gz VXMBQOKBVDFAFX-MCIONIFRSA-N 2 1 350.463 -0.183 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289978 842614636 /nfs/dbraw/zinc/61/46/36/842614636.db2.gz VXMBQOKBVDFAFX-MGPQQGTHSA-N 2 1 350.463 -0.183 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290406 842614952 /nfs/dbraw/zinc/61/49/52/842614952.db2.gz COYDGGDKZVRRMS-ZIAGYGMSSA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290511 842614916 /nfs/dbraw/zinc/61/49/16/842614916.db2.gz HUPOXBMXAHWMDX-FRRDWIJNSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290512 842615668 /nfs/dbraw/zinc/61/56/68/842615668.db2.gz HUPOXBMXAHWMDX-JHJVBQTASA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292282 842615479 /nfs/dbraw/zinc/61/54/79/842615479.db2.gz HKHFAZMQZQNJJU-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292410 842615609 /nfs/dbraw/zinc/61/56/09/842615609.db2.gz MAIHXFOODFZXPG-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292422 842615126 /nfs/dbraw/zinc/61/51/26/842615126.db2.gz MRDKZZCLPJCGLO-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294041 842615362 /nfs/dbraw/zinc/61/53/62/842615362.db2.gz FFJLEPGTGGAQRZ-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294042 842615438 /nfs/dbraw/zinc/61/54/38/842615438.db2.gz FFJLEPGTGGAQRZ-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294257 842615112 /nfs/dbraw/zinc/61/51/12/842615112.db2.gz QCDNBILEBREQIH-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294462 842614762 /nfs/dbraw/zinc/61/47/62/842614762.db2.gz ZISPGWFNONLQCF-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312715 842618152 /nfs/dbraw/zinc/61/81/52/842618152.db2.gz JLFKOQJOSBCMHW-TZMCWYRMSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312746 842618226 /nfs/dbraw/zinc/61/82/26/842618226.db2.gz LEGJNZZSVRCHSG-UKRRQHHQSA-N 2 1 360.524 -0.439 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312774 842617900 /nfs/dbraw/zinc/61/79/00/842617900.db2.gz MWKGGIGCMBMXGY-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312775 842618176 /nfs/dbraw/zinc/61/81/76/842618176.db2.gz MWKGGIGCMBMXGY-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312945 842617972 /nfs/dbraw/zinc/61/79/72/842617972.db2.gz VUNYTFXKNOXJNA-MBNYWOFBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312946 842618359 /nfs/dbraw/zinc/61/83/59/842618359.db2.gz VUNYTFXKNOXJNA-YRGRVCCFSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314376 842618382 /nfs/dbraw/zinc/61/83/82/842618382.db2.gz DWOYDXYRBNYUPX-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318669 842618506 /nfs/dbraw/zinc/61/85/06/842618506.db2.gz DTSVOQQKBYTRFB-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318670 842617776 /nfs/dbraw/zinc/61/77/76/842617776.db2.gz DTSVOQQKBYTRFB-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318714 842618042 /nfs/dbraw/zinc/61/80/42/842618042.db2.gz GXKDMYOMWBVXEF-ZIAGYGMSSA-N 2 1 350.467 -0.056 20 0 FBADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318714 842618039 /nfs/dbraw/zinc/61/80/39/842618039.db2.gz GXKDMYOMWBVXEF-ZIAGYGMSSA-N 2 1 350.467 -0.056 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318758 842617637 /nfs/dbraw/zinc/61/76/37/842617637.db2.gz IRICCPMZZCKQTD-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318774 842617680 /nfs/dbraw/zinc/61/76/80/842617680.db2.gz JHHJGSUSFMXPNG-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318944 842617952 /nfs/dbraw/zinc/61/79/52/842617952.db2.gz RGZIKHRJJWGDPF-HUUCEWRRSA-N 2 1 360.524 -0.342 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318964 842618185 /nfs/dbraw/zinc/61/81/85/842618185.db2.gz SGBYVJDYAKELHA-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319045 842618136 /nfs/dbraw/zinc/61/81/36/842618136.db2.gz WMSGEUCXIRILMP-OAGGEKHMSA-N 2 1 354.495 -0.395 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320562 842617936 /nfs/dbraw/zinc/61/79/36/842617936.db2.gz IMRHVYLKQPJWCI-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320579 842618427 /nfs/dbraw/zinc/61/84/27/842618427.db2.gz JHGVYRQJIQPQHZ-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320580 842617917 /nfs/dbraw/zinc/61/79/17/842617917.db2.gz JHGVYRQJIQPQHZ-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320763 842618207 /nfs/dbraw/zinc/61/82/07/842618207.db2.gz RSZPFGPXHODIIF-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320903 842618049 /nfs/dbraw/zinc/61/80/49/842618049.db2.gz YOKAZHJJWOETIW-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320904 842617494 /nfs/dbraw/zinc/61/74/94/842617494.db2.gz YOKAZHJJWOETIW-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102330222 842619070 /nfs/dbraw/zinc/61/90/70/842619070.db2.gz JNPRMQMDYITYII-RBSFLKMASA-N 2 1 362.540 -0.194 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330290 842619155 /nfs/dbraw/zinc/61/91/55/842619155.db2.gz NINYMZSQHMDCFV-UMVBOHGHSA-N 2 1 355.483 -0.288 20 0 FBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001102337929 842620113 /nfs/dbraw/zinc/62/01/13/842620113.db2.gz ZHVNUPYSKZWAPJ-UMVBOHGHSA-N 2 1 352.483 -0.121 20 0 FBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001102358077 842620911 /nfs/dbraw/zinc/62/09/11/842620911.db2.gz VVZUIUKIIANPQI-MCIONIFRSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001102358078 842622095 /nfs/dbraw/zinc/62/20/95/842622095.db2.gz VVZUIUKIIANPQI-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366636 842621337 /nfs/dbraw/zinc/62/13/37/842621337.db2.gz MCDBYPFFQPZZNQ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366636 842621331 /nfs/dbraw/zinc/62/13/31/842621331.db2.gz MCDBYPFFQPZZNQ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366636 842621327 /nfs/dbraw/zinc/62/13/27/842621327.db2.gz MCDBYPFFQPZZNQ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366637 842621428 /nfs/dbraw/zinc/62/14/28/842621428.db2.gz MCDBYPFFQPZZNQ-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366637 842621421 /nfs/dbraw/zinc/62/14/21/842621421.db2.gz MCDBYPFFQPZZNQ-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366637 842621416 /nfs/dbraw/zinc/62/14/16/842621416.db2.gz MCDBYPFFQPZZNQ-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368254 842621498 /nfs/dbraw/zinc/62/14/98/842621498.db2.gz MYAVURLGSBFMNG-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368254 842621496 /nfs/dbraw/zinc/62/14/96/842621496.db2.gz MYAVURLGSBFMNG-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368254 842621489 /nfs/dbraw/zinc/62/14/89/842621489.db2.gz MYAVURLGSBFMNG-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102368255 842621062 /nfs/dbraw/zinc/62/10/62/842621062.db2.gz MYAVURLGSBFMNG-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102368255 842621057 /nfs/dbraw/zinc/62/10/57/842621057.db2.gz MYAVURLGSBFMNG-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102368255 842621053 /nfs/dbraw/zinc/62/10/53/842621053.db2.gz MYAVURLGSBFMNG-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369882 842621529 /nfs/dbraw/zinc/62/15/29/842621529.db2.gz JNZRKRPFIBCKRS-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369882 842621522 /nfs/dbraw/zinc/62/15/22/842621522.db2.gz JNZRKRPFIBCKRS-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369882 842621518 /nfs/dbraw/zinc/62/15/18/842621518.db2.gz JNZRKRPFIBCKRS-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369883 842621471 /nfs/dbraw/zinc/62/14/71/842621471.db2.gz JNZRKRPFIBCKRS-RRFJBIMHSA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369883 842621466 /nfs/dbraw/zinc/62/14/66/842621466.db2.gz JNZRKRPFIBCKRS-RRFJBIMHSA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369883 842621459 /nfs/dbraw/zinc/62/14/59/842621459.db2.gz JNZRKRPFIBCKRS-RRFJBIMHSA-N 2 1 360.524 -0.439 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370322 842624083 /nfs/dbraw/zinc/62/40/83/842624083.db2.gz WYGYSNWTPQKJIS-BFHYXJOUSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370322 842624077 /nfs/dbraw/zinc/62/40/77/842624077.db2.gz WYGYSNWTPQKJIS-BFHYXJOUSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370322 842624074 /nfs/dbraw/zinc/62/40/74/842624074.db2.gz WYGYSNWTPQKJIS-BFHYXJOUSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370323 842622597 /nfs/dbraw/zinc/62/25/97/842622597.db2.gz WYGYSNWTPQKJIS-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370323 842622592 /nfs/dbraw/zinc/62/25/92/842622592.db2.gz WYGYSNWTPQKJIS-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370323 842622588 /nfs/dbraw/zinc/62/25/88/842622588.db2.gz WYGYSNWTPQKJIS-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375265 842623405 /nfs/dbraw/zinc/62/34/05/842623405.db2.gz AKTUSBLIFXEAHB-CHWSQXEVSA-N 2 1 355.483 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375265 842623402 /nfs/dbraw/zinc/62/34/02/842623402.db2.gz AKTUSBLIFXEAHB-CHWSQXEVSA-N 2 1 355.483 -0.157 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375265 842623396 /nfs/dbraw/zinc/62/33/96/842623396.db2.gz AKTUSBLIFXEAHB-CHWSQXEVSA-N 2 1 355.483 -0.157 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375378 842623698 /nfs/dbraw/zinc/62/36/98/842623698.db2.gz FQCCPAVKJPYHPH-CHWSQXEVSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375378 842623692 /nfs/dbraw/zinc/62/36/92/842623692.db2.gz FQCCPAVKJPYHPH-CHWSQXEVSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375378 842623688 /nfs/dbraw/zinc/62/36/88/842623688.db2.gz FQCCPAVKJPYHPH-CHWSQXEVSA-N 2 1 353.467 -0.403 20 0 FBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102377747 842622975 /nfs/dbraw/zinc/62/29/75/842622975.db2.gz FMDNQFMDOULXHF-KFWWJZLASA-N 2 1 362.540 -0.098 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377852 842622741 /nfs/dbraw/zinc/62/27/41/842622741.db2.gz GOPJKABVBGAIMW-MCIONIFRSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102378468 842622715 /nfs/dbraw/zinc/62/27/15/842622715.db2.gz YALRSELWABODCY-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001102381754 842623052 /nfs/dbraw/zinc/62/30/52/842623052.db2.gz AMDOUJUVDMKQTK-MCIONIFRSA-N 2 1 353.467 -0.438 20 0 FBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102382269 842623622 /nfs/dbraw/zinc/62/36/22/842623622.db2.gz WKKLTCBHIPNRPA-KFWWJZLASA-N 2 1 362.540 -0.050 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385051 842623366 /nfs/dbraw/zinc/62/33/66/842623366.db2.gz PMKRTWMRIRZXJA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385052 842623162 /nfs/dbraw/zinc/62/31/62/842623162.db2.gz PMKRTWMRIRZXJA-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434011 842631201 /nfs/dbraw/zinc/63/12/01/842631201.db2.gz LAVYKVVHKUDCDY-TZMCWYRMSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466144 842636348 /nfs/dbraw/zinc/63/63/48/842636348.db2.gz HNWXJDUEDDPPEG-HZPDHXFCSA-N 2 1 352.479 -0.375 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466144 842636342 /nfs/dbraw/zinc/63/63/42/842636342.db2.gz HNWXJDUEDDPPEG-HZPDHXFCSA-N 2 1 352.479 -0.375 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466450 842636648 /nfs/dbraw/zinc/63/66/48/842636648.db2.gz NZLNUBGCFVQQMM-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466450 842636644 /nfs/dbraw/zinc/63/66/44/842636644.db2.gz NZLNUBGCFVQQMM-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466686 842636865 /nfs/dbraw/zinc/63/68/65/842636865.db2.gz QZDSUYBIMBYSCU-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466686 842636859 /nfs/dbraw/zinc/63/68/59/842636859.db2.gz QZDSUYBIMBYSCU-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467008 842637448 /nfs/dbraw/zinc/63/74/48/842637448.db2.gz CVKLBPNOMXQGGP-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467008 842637441 /nfs/dbraw/zinc/63/74/41/842637441.db2.gz CVKLBPNOMXQGGP-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467666 842636488 /nfs/dbraw/zinc/63/64/88/842636488.db2.gz RVMCFHFFUUTLMH-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467666 842636484 /nfs/dbraw/zinc/63/64/84/842636484.db2.gz RVMCFHFFUUTLMH-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102467695 842636961 /nfs/dbraw/zinc/63/69/61/842636961.db2.gz UGCLXGRBYZJCMB-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102467695 842636958 /nfs/dbraw/zinc/63/69/58/842636958.db2.gz UGCLXGRBYZJCMB-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468765 842638771 /nfs/dbraw/zinc/63/87/71/842638771.db2.gz YTSMAHVKZSHLQC-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468765 842638767 /nfs/dbraw/zinc/63/87/67/842638767.db2.gz YTSMAHVKZSHLQC-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468766 842639146 /nfs/dbraw/zinc/63/91/46/842639146.db2.gz YTSMAHVKZSHLQC-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468766 842639144 /nfs/dbraw/zinc/63/91/44/842639144.db2.gz YTSMAHVKZSHLQC-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468865 842638752 /nfs/dbraw/zinc/63/87/52/842638752.db2.gz DAPWXUZXAXFNAC-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468865 842638745 /nfs/dbraw/zinc/63/87/45/842638745.db2.gz DAPWXUZXAXFNAC-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468866 842637953 /nfs/dbraw/zinc/63/79/53/842637953.db2.gz DAPWXUZXAXFNAC-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468866 842637949 /nfs/dbraw/zinc/63/79/49/842637949.db2.gz DAPWXUZXAXFNAC-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468992 842638095 /nfs/dbraw/zinc/63/80/95/842638095.db2.gz KDUZYFZGVYMBBP-HZPDHXFCSA-N 2 1 350.467 -0.316 20 0 FBADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468992 842638088 /nfs/dbraw/zinc/63/80/88/842638088.db2.gz KDUZYFZGVYMBBP-HZPDHXFCSA-N 2 1 350.467 -0.316 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469262 842638860 /nfs/dbraw/zinc/63/88/60/842638860.db2.gz YKBPGKMAUQYRQB-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469262 842638858 /nfs/dbraw/zinc/63/88/58/842638858.db2.gz YKBPGKMAUQYRQB-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469263 842639201 /nfs/dbraw/zinc/63/92/01/842639201.db2.gz YKBPGKMAUQYRQB-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469263 842639193 /nfs/dbraw/zinc/63/91/93/842639193.db2.gz YKBPGKMAUQYRQB-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473532 842640363 /nfs/dbraw/zinc/64/03/63/842640363.db2.gz DUGNNTFJJPADKB-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102473837 842640827 /nfs/dbraw/zinc/64/08/27/842640827.db2.gz SNVFKRXWPDQLRK-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102475399 842640804 /nfs/dbraw/zinc/64/08/04/842640804.db2.gz MYDLMDVCMGPFIW-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102475585 842640934 /nfs/dbraw/zinc/64/09/34/842640934.db2.gz UXPQEEFQKVBVIZ-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102475586 842640255 /nfs/dbraw/zinc/64/02/55/842640255.db2.gz UXPQEEFQKVBVIZ-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102475627 842639912 /nfs/dbraw/zinc/63/99/12/842639912.db2.gz XCRDHRCDXJOESM-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102475680 842641001 /nfs/dbraw/zinc/64/10/01/842641001.db2.gz ZPYCAJPXVMGDFV-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480033 842642278 /nfs/dbraw/zinc/64/22/78/842642278.db2.gz UEWZTHHILZQURP-ZIAGYGMSSA-N 2 1 353.467 -0.403 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486764 842643792 /nfs/dbraw/zinc/64/37/92/842643792.db2.gz UPLZYSFKCKGBFU-QLFBSQMISA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486765 842643390 /nfs/dbraw/zinc/64/33/90/842643390.db2.gz UPLZYSFKCKGBFU-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486883 842644273 /nfs/dbraw/zinc/64/42/73/842644273.db2.gz YZEXRQLJMXRQIB-HZPDHXFCSA-N 2 1 357.495 -0.210 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488712 842643901 /nfs/dbraw/zinc/64/39/01/842643901.db2.gz GABFSKVOCXANHQ-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488713 842644282 /nfs/dbraw/zinc/64/42/82/842644282.db2.gz GABFSKVOCXANHQ-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488868 842644143 /nfs/dbraw/zinc/64/41/43/842644143.db2.gz LGLCFRUWTGAHFE-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488979 842643759 /nfs/dbraw/zinc/64/37/59/842643759.db2.gz OXVNNYGKACKPCB-HUUCEWRRSA-N 2 1 354.495 -0.131 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489176 842643847 /nfs/dbraw/zinc/64/38/47/842643847.db2.gz WNTWEMWIYWYQGN-BZUAXINKSA-N 2 1 357.495 -0.211 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489177 842643514 /nfs/dbraw/zinc/64/35/14/842643514.db2.gz WNTWEMWIYWYQGN-OAGGEKHMSA-N 2 1 357.495 -0.211 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646401 /nfs/dbraw/zinc/64/64/01/842646401.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646397 /nfs/dbraw/zinc/64/63/97/842646397.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646390 /nfs/dbraw/zinc/64/63/90/842646390.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496348 842647245 /nfs/dbraw/zinc/64/72/45/842647245.db2.gz QXXROOQZKSCDNJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496348 842647235 /nfs/dbraw/zinc/64/72/35/842647235.db2.gz QXXROOQZKSCDNJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496348 842647227 /nfs/dbraw/zinc/64/72/27/842647227.db2.gz QXXROOQZKSCDNJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646363 /nfs/dbraw/zinc/64/63/63/842646363.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646356 /nfs/dbraw/zinc/64/63/56/842646356.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646352 /nfs/dbraw/zinc/64/63/52/842646352.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497175 842646861 /nfs/dbraw/zinc/64/68/61/842646861.db2.gz DSZOKRBEKLWXFH-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497175 842646856 /nfs/dbraw/zinc/64/68/56/842646856.db2.gz DSZOKRBEKLWXFH-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497175 842646851 /nfs/dbraw/zinc/64/68/51/842646851.db2.gz DSZOKRBEKLWXFH-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497176 842647331 /nfs/dbraw/zinc/64/73/31/842647331.db2.gz DSZOKRBEKLWXFH-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497176 842647322 /nfs/dbraw/zinc/64/73/22/842647322.db2.gz DSZOKRBEKLWXFH-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497176 842647316 /nfs/dbraw/zinc/64/73/16/842647316.db2.gz DSZOKRBEKLWXFH-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102497226 842647104 /nfs/dbraw/zinc/64/71/04/842647104.db2.gz HUGZQHWCYMYMIC-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102497226 842647097 /nfs/dbraw/zinc/64/70/97/842647097.db2.gz HUGZQHWCYMYMIC-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102497226 842647091 /nfs/dbraw/zinc/64/70/91/842647091.db2.gz HUGZQHWCYMYMIC-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102497422 842646549 /nfs/dbraw/zinc/64/65/49/842646549.db2.gz SASLXIJHBOZIBC-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102497422 842646545 /nfs/dbraw/zinc/64/65/45/842646545.db2.gz SASLXIJHBOZIBC-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102497422 842646541 /nfs/dbraw/zinc/64/65/41/842646541.db2.gz SASLXIJHBOZIBC-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511372 842651828 /nfs/dbraw/zinc/65/18/28/842651828.db2.gz UQEUUNATBPEZMS-HUUCEWRRSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511400 842651203 /nfs/dbraw/zinc/65/12/03/842651203.db2.gz VSXABRLSLWKQPZ-GDBMZVCRSA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511413 842651266 /nfs/dbraw/zinc/65/12/66/842651266.db2.gz WJAQINHVPPPTHF-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513292 842651951 /nfs/dbraw/zinc/65/19/51/842651951.db2.gz DHIDVGIZAIGCAV-GDBMZVCRSA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513346 842651043 /nfs/dbraw/zinc/65/10/43/842651043.db2.gz GUFISPMWHRRVDR-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513347 842651153 /nfs/dbraw/zinc/65/11/53/842651153.db2.gz GUFISPMWHRRVDR-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513366 842652083 /nfs/dbraw/zinc/65/20/83/842652083.db2.gz HRJYRCANKLBNFK-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513529 842651472 /nfs/dbraw/zinc/65/14/72/842651472.db2.gz OVHSUHGRVPDPBW-HZSPNIEDSA-N 2 1 353.471 -0.467 20 0 FBADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513529 842651469 /nfs/dbraw/zinc/65/14/69/842651469.db2.gz OVHSUHGRVPDPBW-HZSPNIEDSA-N 2 1 353.471 -0.467 20 0 FBADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513530 842651179 /nfs/dbraw/zinc/65/11/79/842651179.db2.gz OVHSUHGRVPDPBW-MGPQQGTHSA-N 2 1 353.471 -0.467 20 0 FBADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513530 842651175 /nfs/dbraw/zinc/65/11/75/842651175.db2.gz OVHSUHGRVPDPBW-MGPQQGTHSA-N 2 1 353.471 -0.467 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513586 842651550 /nfs/dbraw/zinc/65/15/50/842651550.db2.gz RWLIIXJOSLOHJC-MCIONIFRSA-N 2 1 354.451 -0.946 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513587 842651615 /nfs/dbraw/zinc/65/16/15/842651615.db2.gz RWLIIXJOSLOHJC-MGPQQGTHSA-N 2 1 354.451 -0.946 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513602 842652050 /nfs/dbraw/zinc/65/20/50/842652050.db2.gz SFVOCEAGDKTDTH-HUUCEWRRSA-N 2 1 355.483 -0.726 20 0 FBADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513611 842651246 /nfs/dbraw/zinc/65/12/46/842651246.db2.gz SYGJJTWLILWXMS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513612 842652122 /nfs/dbraw/zinc/65/21/22/842652122.db2.gz SYGJJTWLILWXMS-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513740 842652030 /nfs/dbraw/zinc/65/20/30/842652030.db2.gz ZSQCLAPJEVTZIV-HUUCEWRRSA-N 2 1 363.524 -0.317 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514071 842651906 /nfs/dbraw/zinc/65/19/06/842651906.db2.gz LNORSGIKKVUBHU-HZSPNIEDSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514071 842651901 /nfs/dbraw/zinc/65/19/01/842651901.db2.gz LNORSGIKKVUBHU-HZSPNIEDSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514071 842651896 /nfs/dbraw/zinc/65/18/96/842651896.db2.gz LNORSGIKKVUBHU-HZSPNIEDSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514072 842653510 /nfs/dbraw/zinc/65/35/10/842653510.db2.gz LNORSGIKKVUBHU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514072 842653499 /nfs/dbraw/zinc/65/34/99/842653499.db2.gz LNORSGIKKVUBHU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514072 842653492 /nfs/dbraw/zinc/65/34/92/842653492.db2.gz LNORSGIKKVUBHU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514198 842653346 /nfs/dbraw/zinc/65/33/46/842653346.db2.gz QHFRWKUPXWYBCX-ZIAGYGMSSA-N 2 1 358.508 -0.685 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514203 842653556 /nfs/dbraw/zinc/65/35/56/842653556.db2.gz QJJGYBLQVGXYNZ-FRRDWIJNSA-N 2 1 351.451 -0.650 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514204 842653640 /nfs/dbraw/zinc/65/36/40/842653640.db2.gz QJJGYBLQVGXYNZ-JHJVBQTASA-N 2 1 351.451 -0.650 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514332 842653662 /nfs/dbraw/zinc/65/36/62/842653662.db2.gz UKHGVVOFIQXEOI-QLFBSQMISA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514333 842652908 /nfs/dbraw/zinc/65/29/08/842652908.db2.gz UKHGVVOFIQXEOI-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514497 842652882 /nfs/dbraw/zinc/65/28/82/842652882.db2.gz ZAAKFBSNEUGZPV-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514497 842652876 /nfs/dbraw/zinc/65/28/76/842652876.db2.gz ZAAKFBSNEUGZPV-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514497 842652869 /nfs/dbraw/zinc/65/28/69/842652869.db2.gz ZAAKFBSNEUGZPV-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514498 842653764 /nfs/dbraw/zinc/65/37/64/842653764.db2.gz ZAAKFBSNEUGZPV-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514498 842653755 /nfs/dbraw/zinc/65/37/55/842653755.db2.gz ZAAKFBSNEUGZPV-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514498 842653749 /nfs/dbraw/zinc/65/37/49/842653749.db2.gz ZAAKFBSNEUGZPV-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514586 842653982 /nfs/dbraw/zinc/65/39/82/842653982.db2.gz DASYLIIJTDBPNU-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514586 842653976 /nfs/dbraw/zinc/65/39/76/842653976.db2.gz DASYLIIJTDBPNU-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514586 842653968 /nfs/dbraw/zinc/65/39/68/842653968.db2.gz DASYLIIJTDBPNU-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514587 842653149 /nfs/dbraw/zinc/65/31/49/842653149.db2.gz DASYLIIJTDBPNU-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514587 842653145 /nfs/dbraw/zinc/65/31/45/842653145.db2.gz DASYLIIJTDBPNU-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514587 842653141 /nfs/dbraw/zinc/65/31/41/842653141.db2.gz DASYLIIJTDBPNU-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515153 842653255 /nfs/dbraw/zinc/65/32/55/842653255.db2.gz GJGNOAZWKOAUHC-CHWSQXEVSA-N 2 1 351.451 -0.778 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520383 842652790 /nfs/dbraw/zinc/65/27/90/842652790.db2.gz IISAUGLYWPGUFT-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520384 842652836 /nfs/dbraw/zinc/65/28/36/842652836.db2.gz IISAUGLYWPGUFT-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520579 842652764 /nfs/dbraw/zinc/65/27/64/842652764.db2.gz QBWAUKQHYIBFKJ-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520852 842653284 /nfs/dbraw/zinc/65/32/84/842653284.db2.gz DXPFQWKDOKEHLT-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523810 842654687 /nfs/dbraw/zinc/65/46/87/842654687.db2.gz KHPQXFFHWMUWHG-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523810 842654681 /nfs/dbraw/zinc/65/46/81/842654681.db2.gz KHPQXFFHWMUWHG-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523810 842654675 /nfs/dbraw/zinc/65/46/75/842654675.db2.gz KHPQXFFHWMUWHG-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523811 842654608 /nfs/dbraw/zinc/65/46/08/842654608.db2.gz KHPQXFFHWMUWHG-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523811 842654603 /nfs/dbraw/zinc/65/46/03/842654603.db2.gz KHPQXFFHWMUWHG-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523811 842654600 /nfs/dbraw/zinc/65/46/00/842654600.db2.gz KHPQXFFHWMUWHG-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102524772 842655271 /nfs/dbraw/zinc/65/52/71/842655271.db2.gz VNZIFBCJLMKZJA-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102524772 842655263 /nfs/dbraw/zinc/65/52/63/842655263.db2.gz VNZIFBCJLMKZJA-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102524772 842655259 /nfs/dbraw/zinc/65/52/59/842655259.db2.gz VNZIFBCJLMKZJA-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102524801 842654663 /nfs/dbraw/zinc/65/46/63/842654663.db2.gz XCKYXQBJGPTUIJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102524801 842654661 /nfs/dbraw/zinc/65/46/61/842654661.db2.gz XCKYXQBJGPTUIJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102524801 842654654 /nfs/dbraw/zinc/65/46/54/842654654.db2.gz XCKYXQBJGPTUIJ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524904 842654895 /nfs/dbraw/zinc/65/48/95/842654895.db2.gz CKKFMUQKTUDFHY-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524904 842654889 /nfs/dbraw/zinc/65/48/89/842654889.db2.gz CKKFMUQKTUDFHY-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524904 842654883 /nfs/dbraw/zinc/65/48/83/842654883.db2.gz CKKFMUQKTUDFHY-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102524906 842655235 /nfs/dbraw/zinc/65/52/35/842655235.db2.gz CNHMQGJYZGTODL-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102524906 842655230 /nfs/dbraw/zinc/65/52/30/842655230.db2.gz CNHMQGJYZGTODL-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102524906 842655225 /nfs/dbraw/zinc/65/52/25/842655225.db2.gz CNHMQGJYZGTODL-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102525069 842655596 /nfs/dbraw/zinc/65/55/96/842655596.db2.gz KCNRHLSAGJNSMH-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102525069 842655590 /nfs/dbraw/zinc/65/55/90/842655590.db2.gz KCNRHLSAGJNSMH-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102525069 842655587 /nfs/dbraw/zinc/65/55/87/842655587.db2.gz KCNRHLSAGJNSMH-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102525170 842654747 /nfs/dbraw/zinc/65/47/47/842654747.db2.gz OCLPMOLGEPJKMQ-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102525170 842654744 /nfs/dbraw/zinc/65/47/44/842654744.db2.gz OCLPMOLGEPJKMQ-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102525170 842654737 /nfs/dbraw/zinc/65/47/37/842654737.db2.gz OCLPMOLGEPJKMQ-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654583 /nfs/dbraw/zinc/65/45/83/842654583.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654579 /nfs/dbraw/zinc/65/45/79/842654579.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654575 /nfs/dbraw/zinc/65/45/75/842654575.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525632 842655533 /nfs/dbraw/zinc/65/55/33/842655533.db2.gz MGGYQKFCVDSCHY-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525632 842655530 /nfs/dbraw/zinc/65/55/30/842655530.db2.gz MGGYQKFCVDSCHY-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525632 842655525 /nfs/dbraw/zinc/65/55/25/842655525.db2.gz MGGYQKFCVDSCHY-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525633 842655008 /nfs/dbraw/zinc/65/50/08/842655008.db2.gz MGGYQKFCVDSCHY-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525633 842655005 /nfs/dbraw/zinc/65/50/05/842655005.db2.gz MGGYQKFCVDSCHY-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525633 842655001 /nfs/dbraw/zinc/65/50/01/842655001.db2.gz MGGYQKFCVDSCHY-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578030 842664133 /nfs/dbraw/zinc/66/41/33/842664133.db2.gz IELZWTQWCNIEMK-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578030 842664129 /nfs/dbraw/zinc/66/41/29/842664129.db2.gz IELZWTQWCNIEMK-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578030 842664125 /nfs/dbraw/zinc/66/41/25/842664125.db2.gz IELZWTQWCNIEMK-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578031 842664242 /nfs/dbraw/zinc/66/42/42/842664242.db2.gz IELZWTQWCNIEMK-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578031 842664238 /nfs/dbraw/zinc/66/42/38/842664238.db2.gz IELZWTQWCNIEMK-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578031 842664234 /nfs/dbraw/zinc/66/42/34/842664234.db2.gz IELZWTQWCNIEMK-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578086 842664286 /nfs/dbraw/zinc/66/42/86/842664286.db2.gz KLOAJFVTHNLCRU-DJIMGWMZSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578086 842664282 /nfs/dbraw/zinc/66/42/82/842664282.db2.gz KLOAJFVTHNLCRU-DJIMGWMZSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578086 842664276 /nfs/dbraw/zinc/66/42/76/842664276.db2.gz KLOAJFVTHNLCRU-DJIMGWMZSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578087 842665195 /nfs/dbraw/zinc/66/51/95/842665195.db2.gz KLOAJFVTHNLCRU-HYVNUMGLSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578087 842665191 /nfs/dbraw/zinc/66/51/91/842665191.db2.gz KLOAJFVTHNLCRU-HYVNUMGLSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578087 842665187 /nfs/dbraw/zinc/66/51/87/842665187.db2.gz KLOAJFVTHNLCRU-HYVNUMGLSA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578164 842666223 /nfs/dbraw/zinc/66/62/23/842666223.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578164 842666219 /nfs/dbraw/zinc/66/62/19/842666219.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578164 842666213 /nfs/dbraw/zinc/66/62/13/842666213.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578165 842665399 /nfs/dbraw/zinc/66/53/99/842665399.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578165 842665396 /nfs/dbraw/zinc/66/53/96/842665396.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578165 842665392 /nfs/dbraw/zinc/66/53/92/842665392.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 2 1 360.524 -0.486 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578230 842666337 /nfs/dbraw/zinc/66/63/37/842666337.db2.gz RGRAFHCAIZBCPT-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578230 842666333 /nfs/dbraw/zinc/66/63/33/842666333.db2.gz RGRAFHCAIZBCPT-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578230 842666328 /nfs/dbraw/zinc/66/63/28/842666328.db2.gz RGRAFHCAIZBCPT-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578231 842665298 /nfs/dbraw/zinc/66/52/98/842665298.db2.gz RGRAFHCAIZBCPT-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578231 842665293 /nfs/dbraw/zinc/66/52/93/842665293.db2.gz RGRAFHCAIZBCPT-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578231 842665288 /nfs/dbraw/zinc/66/52/88/842665288.db2.gz RGRAFHCAIZBCPT-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578316 842666374 /nfs/dbraw/zinc/66/63/74/842666374.db2.gz VSEARJURFHHHFZ-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578316 842666369 /nfs/dbraw/zinc/66/63/69/842666369.db2.gz VSEARJURFHHHFZ-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578316 842666366 /nfs/dbraw/zinc/66/63/66/842666366.db2.gz VSEARJURFHHHFZ-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578317 842666172 /nfs/dbraw/zinc/66/61/72/842666172.db2.gz VSEARJURFHHHFZ-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578317 842666167 /nfs/dbraw/zinc/66/61/67/842666167.db2.gz VSEARJURFHHHFZ-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578317 842666162 /nfs/dbraw/zinc/66/61/62/842666162.db2.gz VSEARJURFHHHFZ-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578395 842665138 /nfs/dbraw/zinc/66/51/38/842665138.db2.gz ZXCNWDYKBULENC-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578395 842665133 /nfs/dbraw/zinc/66/51/33/842665133.db2.gz ZXCNWDYKBULENC-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578395 842665129 /nfs/dbraw/zinc/66/51/29/842665129.db2.gz ZXCNWDYKBULENC-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578396 842665349 /nfs/dbraw/zinc/66/53/49/842665349.db2.gz ZXCNWDYKBULENC-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578396 842665344 /nfs/dbraw/zinc/66/53/44/842665344.db2.gz ZXCNWDYKBULENC-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578396 842665339 /nfs/dbraw/zinc/66/53/39/842665339.db2.gz ZXCNWDYKBULENC-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578973 842665456 /nfs/dbraw/zinc/66/54/56/842665456.db2.gz BYKJYKNSIHDKQA-NQBHXWOUSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578973 842665451 /nfs/dbraw/zinc/66/54/51/842665451.db2.gz BYKJYKNSIHDKQA-NQBHXWOUSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578974 842665218 /nfs/dbraw/zinc/66/52/18/842665218.db2.gz BYKJYKNSIHDKQA-NTZNESFSSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578974 842665213 /nfs/dbraw/zinc/66/52/13/842665213.db2.gz BYKJYKNSIHDKQA-NTZNESFSSA-N 2 1 350.423 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102578977 842666311 /nfs/dbraw/zinc/66/63/11/842666311.db2.gz CGPJPDILZGEXJW-HUUCEWRRSA-N 2 1 350.463 -0.085 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102579001 842666291 /nfs/dbraw/zinc/66/62/91/842666291.db2.gz DHUBIJQOBOLWSK-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102579001 842666287 /nfs/dbraw/zinc/66/62/87/842666287.db2.gz DHUBIJQOBOLWSK-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579127 842665919 /nfs/dbraw/zinc/66/59/19/842665919.db2.gz JEQUQQNNYMNCFV-HUUCEWRRSA-N 2 1 360.524 -0.294 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579154 842665962 /nfs/dbraw/zinc/66/59/62/842665962.db2.gz KHGRVIPDVXCSMB-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579154 842665958 /nfs/dbraw/zinc/66/59/58/842665958.db2.gz KHGRVIPDVXCSMB-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579335 842665322 /nfs/dbraw/zinc/66/53/22/842665322.db2.gz SIIRODQOWMSFOS-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579336 842665630 /nfs/dbraw/zinc/66/56/30/842665630.db2.gz SIIRODQOWMSFOS-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579562 842665081 /nfs/dbraw/zinc/66/50/81/842665081.db2.gz DVZQXRDTAKVIKH-NVXWUHKLSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579570 842665258 /nfs/dbraw/zinc/66/52/58/842665258.db2.gz FEVCTVZXLNAJPD-HUUCEWRRSA-N 2 1 360.524 -0.342 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579603 842666265 /nfs/dbraw/zinc/66/62/65/842666265.db2.gz GRILJGWREOOAEY-ZIAGYGMSSA-N 2 1 353.467 -0.388 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579629 842665727 /nfs/dbraw/zinc/66/57/27/842665727.db2.gz HQJGLJJQBYUMCR-HZPDHXFCSA-N 2 1 352.479 -0.375 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579841 842665239 /nfs/dbraw/zinc/66/52/39/842665239.db2.gz SDBOWIUWSFCVEE-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579842 842665466 /nfs/dbraw/zinc/66/54/66/842665466.db2.gz SDBOWIUWSFCVEE-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579898 842665816 /nfs/dbraw/zinc/66/58/16/842665816.db2.gz WDBKWEYPLGBJFA-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579914 842665423 /nfs/dbraw/zinc/66/54/23/842665423.db2.gz WZCSDILSLDAGIU-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580090 842665766 /nfs/dbraw/zinc/66/57/66/842665766.db2.gz FNVFFKNFKFHXAC-ZIAGYGMSSA-N 2 1 351.451 -0.682 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580142 842665377 /nfs/dbraw/zinc/66/53/77/842665377.db2.gz HRSIXUANXRIFDH-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580142 842665373 /nfs/dbraw/zinc/66/53/73/842665373.db2.gz HRSIXUANXRIFDH-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580642 842665554 /nfs/dbraw/zinc/66/55/54/842665554.db2.gz FZADTUJBQLPNSZ-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580643 842665868 /nfs/dbraw/zinc/66/58/68/842665868.db2.gz FZADTUJBQLPNSZ-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102580914 842665159 /nfs/dbraw/zinc/66/51/59/842665159.db2.gz QHYMXIZCQCQHEJ-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102580914 842665156 /nfs/dbraw/zinc/66/51/56/842665156.db2.gz QHYMXIZCQCQHEJ-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102580930 842666023 /nfs/dbraw/zinc/66/60/23/842666023.db2.gz RGDNCFNZFCSAMT-BRWVUGGUSA-N 2 1 357.495 -0.352 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102580931 842666116 /nfs/dbraw/zinc/66/61/16/842666116.db2.gz RGDNCFNZFCSAMT-IXDOHACOSA-N 2 1 357.495 -0.352 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001102581100 842666070 /nfs/dbraw/zinc/66/60/70/842666070.db2.gz ZMBKCKBJVZSAJK-BZUAXINKSA-N 2 1 354.495 -0.273 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001102581101 842665592 /nfs/dbraw/zinc/66/55/92/842665592.db2.gz ZMBKCKBJVZSAJK-OWCLPIDISA-N 2 1 354.495 -0.273 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588465 842670572 /nfs/dbraw/zinc/67/05/72/842670572.db2.gz BHHZJZCSISXTNN-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588465 842670564 /nfs/dbraw/zinc/67/05/64/842670564.db2.gz BHHZJZCSISXTNN-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588465 842670559 /nfs/dbraw/zinc/67/05/59/842670559.db2.gz BHHZJZCSISXTNN-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588465 842670551 /nfs/dbraw/zinc/67/05/51/842670551.db2.gz BHHZJZCSISXTNN-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588466 842670119 /nfs/dbraw/zinc/67/01/19/842670119.db2.gz BHHZJZCSISXTNN-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588466 842670115 /nfs/dbraw/zinc/67/01/15/842670115.db2.gz BHHZJZCSISXTNN-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588466 842670107 /nfs/dbraw/zinc/67/01/07/842670107.db2.gz BHHZJZCSISXTNN-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001102588466 842670093 /nfs/dbraw/zinc/67/00/93/842670093.db2.gz BHHZJZCSISXTNN-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588910 842672668 /nfs/dbraw/zinc/67/26/68/842672668.db2.gz PTWJKFYCBHVPGS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588910 842672662 /nfs/dbraw/zinc/67/26/62/842672662.db2.gz PTWJKFYCBHVPGS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588910 842672653 /nfs/dbraw/zinc/67/26/53/842672653.db2.gz PTWJKFYCBHVPGS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588910 842672648 /nfs/dbraw/zinc/67/26/48/842672648.db2.gz PTWJKFYCBHVPGS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588911 842671790 /nfs/dbraw/zinc/67/17/90/842671790.db2.gz PTWJKFYCBHVPGS-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588911 842671782 /nfs/dbraw/zinc/67/17/82/842671782.db2.gz PTWJKFYCBHVPGS-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588911 842671778 /nfs/dbraw/zinc/67/17/78/842671778.db2.gz PTWJKFYCBHVPGS-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588911 842671772 /nfs/dbraw/zinc/67/17/72/842671772.db2.gz PTWJKFYCBHVPGS-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589093 842672723 /nfs/dbraw/zinc/67/27/23/842672723.db2.gz XVZTZWQSWQWYKJ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589093 842672720 /nfs/dbraw/zinc/67/27/20/842672720.db2.gz XVZTZWQSWQWYKJ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589093 842672710 /nfs/dbraw/zinc/67/27/10/842672710.db2.gz XVZTZWQSWQWYKJ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589093 842672703 /nfs/dbraw/zinc/67/27/03/842672703.db2.gz XVZTZWQSWQWYKJ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589094 842672216 /nfs/dbraw/zinc/67/22/16/842672216.db2.gz XVZTZWQSWQWYKJ-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589094 842672212 /nfs/dbraw/zinc/67/22/12/842672212.db2.gz XVZTZWQSWQWYKJ-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589094 842672208 /nfs/dbraw/zinc/67/22/08/842672208.db2.gz XVZTZWQSWQWYKJ-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589094 842672203 /nfs/dbraw/zinc/67/22/03/842672203.db2.gz XVZTZWQSWQWYKJ-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596351 842672312 /nfs/dbraw/zinc/67/23/12/842672312.db2.gz AEZBXARBWCHRBG-ZIAGYGMSSA-N 2 1 353.467 -0.259 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599316 842673352 /nfs/dbraw/zinc/67/33/52/842673352.db2.gz YEIBTFCAOXUYAR-ZIAGYGMSSA-N 2 1 353.467 -0.259 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599910 842675558 /nfs/dbraw/zinc/67/55/58/842675558.db2.gz CWQUDKDKQVBLQQ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599910 842675556 /nfs/dbraw/zinc/67/55/56/842675556.db2.gz CWQUDKDKQVBLQQ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599910 842675551 /nfs/dbraw/zinc/67/55/51/842675551.db2.gz CWQUDKDKQVBLQQ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599911 842675453 /nfs/dbraw/zinc/67/54/53/842675453.db2.gz CWQUDKDKQVBLQQ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599911 842675451 /nfs/dbraw/zinc/67/54/51/842675451.db2.gz CWQUDKDKQVBLQQ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599911 842675445 /nfs/dbraw/zinc/67/54/45/842675445.db2.gz CWQUDKDKQVBLQQ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674804 /nfs/dbraw/zinc/67/48/04/842674804.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 2 1 362.540 -0.098 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674795 /nfs/dbraw/zinc/67/47/95/842674795.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 2 1 362.540 -0.098 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674787 /nfs/dbraw/zinc/67/47/87/842674787.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 2 1 362.540 -0.098 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102600971 842675268 /nfs/dbraw/zinc/67/52/68/842675268.db2.gz FKQVTOZTKAHTQY-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102600971 842675262 /nfs/dbraw/zinc/67/52/62/842675262.db2.gz FKQVTOZTKAHTQY-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102600971 842675256 /nfs/dbraw/zinc/67/52/56/842675256.db2.gz FKQVTOZTKAHTQY-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675408 /nfs/dbraw/zinc/67/54/08/842675408.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 2 1 353.467 -0.438 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675407 /nfs/dbraw/zinc/67/54/07/842675407.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 2 1 353.467 -0.438 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675404 /nfs/dbraw/zinc/67/54/04/842675404.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 2 1 353.467 -0.438 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601061 842675608 /nfs/dbraw/zinc/67/56/08/842675608.db2.gz ILAHXHHRMMVKNK-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601061 842675603 /nfs/dbraw/zinc/67/56/03/842675603.db2.gz ILAHXHHRMMVKNK-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601061 842675601 /nfs/dbraw/zinc/67/56/01/842675601.db2.gz ILAHXHHRMMVKNK-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601326 842675023 /nfs/dbraw/zinc/67/50/23/842675023.db2.gz XRNLZUGVJFEZMY-HZSPNIEDSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601326 842675020 /nfs/dbraw/zinc/67/50/20/842675020.db2.gz XRNLZUGVJFEZMY-HZSPNIEDSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601326 842675011 /nfs/dbraw/zinc/67/50/11/842675011.db2.gz XRNLZUGVJFEZMY-HZSPNIEDSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601327 842674708 /nfs/dbraw/zinc/67/47/08/842674708.db2.gz XRNLZUGVJFEZMY-MGPQQGTHSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601327 842674699 /nfs/dbraw/zinc/67/46/99/842674699.db2.gz XRNLZUGVJFEZMY-MGPQQGTHSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601327 842674691 /nfs/dbraw/zinc/67/46/91/842674691.db2.gz XRNLZUGVJFEZMY-MGPQQGTHSA-N 2 1 355.483 -0.145 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601336 842675488 /nfs/dbraw/zinc/67/54/88/842675488.db2.gz YKLOMFUFISSXMW-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601336 842675485 /nfs/dbraw/zinc/67/54/85/842675485.db2.gz YKLOMFUFISSXMW-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601336 842675481 /nfs/dbraw/zinc/67/54/81/842675481.db2.gz YKLOMFUFISSXMW-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780506 842690723 /nfs/dbraw/zinc/69/07/23/842690723.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780506 842690718 /nfs/dbraw/zinc/69/07/18/842690718.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780506 842690711 /nfs/dbraw/zinc/69/07/11/842690711.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780507 842690120 /nfs/dbraw/zinc/69/01/20/842690120.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780507 842690117 /nfs/dbraw/zinc/69/01/17/842690117.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780507 842690110 /nfs/dbraw/zinc/69/01/10/842690110.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102782273 842690541 /nfs/dbraw/zinc/69/05/41/842690541.db2.gz JMFCEJDSULRVNE-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102782273 842690534 /nfs/dbraw/zinc/69/05/34/842690534.db2.gz JMFCEJDSULRVNE-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782273 842690528 /nfs/dbraw/zinc/69/05/28/842690528.db2.gz JMFCEJDSULRVNE-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102782274 842691037 /nfs/dbraw/zinc/69/10/37/842691037.db2.gz JMFCEJDSULRVNE-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102782274 842691034 /nfs/dbraw/zinc/69/10/34/842691034.db2.gz JMFCEJDSULRVNE-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782274 842691029 /nfs/dbraw/zinc/69/10/29/842691029.db2.gz JMFCEJDSULRVNE-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782543 842690766 /nfs/dbraw/zinc/69/07/66/842690766.db2.gz NRDYIICTJLLXAC-MCIONIFRSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782543 842690760 /nfs/dbraw/zinc/69/07/60/842690760.db2.gz NRDYIICTJLLXAC-MCIONIFRSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782543 842690757 /nfs/dbraw/zinc/69/07/57/842690757.db2.gz NRDYIICTJLLXAC-MCIONIFRSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782545 842689986 /nfs/dbraw/zinc/68/99/86/842689986.db2.gz NRDYIICTJLLXAC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782545 842689978 /nfs/dbraw/zinc/68/99/78/842689978.db2.gz NRDYIICTJLLXAC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782545 842689971 /nfs/dbraw/zinc/68/99/71/842689971.db2.gz NRDYIICTJLLXAC-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102818694 842695437 /nfs/dbraw/zinc/69/54/37/842695437.db2.gz CLTQKXUGRRGGAT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102818694 842695430 /nfs/dbraw/zinc/69/54/30/842695430.db2.gz CLTQKXUGRRGGAT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818694 842695428 /nfs/dbraw/zinc/69/54/28/842695428.db2.gz CLTQKXUGRRGGAT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818694 842695424 /nfs/dbraw/zinc/69/54/24/842695424.db2.gz CLTQKXUGRRGGAT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102818695 842695328 /nfs/dbraw/zinc/69/53/28/842695328.db2.gz CLTQKXUGRRGGAT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102818695 842695323 /nfs/dbraw/zinc/69/53/23/842695323.db2.gz CLTQKXUGRRGGAT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818695 842695317 /nfs/dbraw/zinc/69/53/17/842695317.db2.gz CLTQKXUGRRGGAT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818695 842695307 /nfs/dbraw/zinc/69/53/07/842695307.db2.gz CLTQKXUGRRGGAT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818782 842693875 /nfs/dbraw/zinc/69/38/75/842693875.db2.gz HIEGUGAJXVLLLM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818782 842693869 /nfs/dbraw/zinc/69/38/69/842693869.db2.gz HIEGUGAJXVLLLM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818782 842693861 /nfs/dbraw/zinc/69/38/61/842693861.db2.gz HIEGUGAJXVLLLM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818782 842693858 /nfs/dbraw/zinc/69/38/58/842693858.db2.gz HIEGUGAJXVLLLM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818783 842694822 /nfs/dbraw/zinc/69/48/22/842694822.db2.gz HIEGUGAJXVLLLM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818783 842694815 /nfs/dbraw/zinc/69/48/15/842694815.db2.gz HIEGUGAJXVLLLM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818783 842694805 /nfs/dbraw/zinc/69/48/05/842694805.db2.gz HIEGUGAJXVLLLM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818783 842694798 /nfs/dbraw/zinc/69/47/98/842694798.db2.gz HIEGUGAJXVLLLM-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818881 842694942 /nfs/dbraw/zinc/69/49/42/842694942.db2.gz KTMAUMWHLPREFZ-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818881 842694932 /nfs/dbraw/zinc/69/49/32/842694932.db2.gz KTMAUMWHLPREFZ-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818881 842694923 /nfs/dbraw/zinc/69/49/23/842694923.db2.gz KTMAUMWHLPREFZ-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818881 842694917 /nfs/dbraw/zinc/69/49/17/842694917.db2.gz KTMAUMWHLPREFZ-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818882 842693603 /nfs/dbraw/zinc/69/36/03/842693603.db2.gz KTMAUMWHLPREFZ-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818882 842693602 /nfs/dbraw/zinc/69/36/02/842693602.db2.gz KTMAUMWHLPREFZ-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818882 842693596 /nfs/dbraw/zinc/69/35/96/842693596.db2.gz KTMAUMWHLPREFZ-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818882 842693590 /nfs/dbraw/zinc/69/35/90/842693590.db2.gz KTMAUMWHLPREFZ-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819099 842694715 /nfs/dbraw/zinc/69/47/15/842694715.db2.gz NDQGHAYZIDHGOG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819099 842694710 /nfs/dbraw/zinc/69/47/10/842694710.db2.gz NDQGHAYZIDHGOG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819099 842694703 /nfs/dbraw/zinc/69/47/03/842694703.db2.gz NDQGHAYZIDHGOG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819099 842694698 /nfs/dbraw/zinc/69/46/98/842694698.db2.gz NDQGHAYZIDHGOG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819102 842694881 /nfs/dbraw/zinc/69/48/81/842694881.db2.gz NDQGHAYZIDHGOG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819102 842694874 /nfs/dbraw/zinc/69/48/74/842694874.db2.gz NDQGHAYZIDHGOG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819102 842694867 /nfs/dbraw/zinc/69/48/67/842694867.db2.gz NDQGHAYZIDHGOG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819102 842694855 /nfs/dbraw/zinc/69/48/55/842694855.db2.gz NDQGHAYZIDHGOG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819569 842694503 /nfs/dbraw/zinc/69/45/03/842694503.db2.gz VOROVPKQOWCRMT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819569 842694497 /nfs/dbraw/zinc/69/44/97/842694497.db2.gz VOROVPKQOWCRMT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819569 842694489 /nfs/dbraw/zinc/69/44/89/842694489.db2.gz VOROVPKQOWCRMT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819569 842694485 /nfs/dbraw/zinc/69/44/85/842694485.db2.gz VOROVPKQOWCRMT-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819570 842695407 /nfs/dbraw/zinc/69/54/07/842695407.db2.gz VOROVPKQOWCRMT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819570 842695403 /nfs/dbraw/zinc/69/54/03/842695403.db2.gz VOROVPKQOWCRMT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819570 842695401 /nfs/dbraw/zinc/69/54/01/842695401.db2.gz VOROVPKQOWCRMT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819570 842695396 /nfs/dbraw/zinc/69/53/96/842695396.db2.gz VOROVPKQOWCRMT-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819600 842695150 /nfs/dbraw/zinc/69/51/50/842695150.db2.gz WWQVRHXNOKVPIN-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819600 842695142 /nfs/dbraw/zinc/69/51/42/842695142.db2.gz WWQVRHXNOKVPIN-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819600 842695132 /nfs/dbraw/zinc/69/51/32/842695132.db2.gz WWQVRHXNOKVPIN-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819600 842695126 /nfs/dbraw/zinc/69/51/26/842695126.db2.gz WWQVRHXNOKVPIN-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819601 842694097 /nfs/dbraw/zinc/69/40/97/842694097.db2.gz WWQVRHXNOKVPIN-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819601 842694093 /nfs/dbraw/zinc/69/40/93/842694093.db2.gz WWQVRHXNOKVPIN-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819601 842694091 /nfs/dbraw/zinc/69/40/91/842694091.db2.gz WWQVRHXNOKVPIN-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819601 842694086 /nfs/dbraw/zinc/69/40/86/842694086.db2.gz WWQVRHXNOKVPIN-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819608 842695194 /nfs/dbraw/zinc/69/51/94/842695194.db2.gz XCSFQXHEJJTQAH-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819608 842695188 /nfs/dbraw/zinc/69/51/88/842695188.db2.gz XCSFQXHEJJTQAH-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819608 842695183 /nfs/dbraw/zinc/69/51/83/842695183.db2.gz XCSFQXHEJJTQAH-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819608 842695177 /nfs/dbraw/zinc/69/51/77/842695177.db2.gz XCSFQXHEJJTQAH-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819609 842695617 /nfs/dbraw/zinc/69/56/17/842695617.db2.gz XCSFQXHEJJTQAH-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819609 842695608 /nfs/dbraw/zinc/69/56/08/842695608.db2.gz XCSFQXHEJJTQAH-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819609 842695604 /nfs/dbraw/zinc/69/56/04/842695604.db2.gz XCSFQXHEJJTQAH-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819609 842695594 /nfs/dbraw/zinc/69/55/94/842695594.db2.gz XCSFQXHEJJTQAH-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001103000186 842706391 /nfs/dbraw/zinc/70/63/91/842706391.db2.gz WKFWFMMSOJELFW-ZIAGYGMSSA-N 2 1 350.467 -0.382 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001103005259 842706251 /nfs/dbraw/zinc/70/62/51/842706251.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005259 842706246 /nfs/dbraw/zinc/70/62/46/842706246.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001103005259 842706242 /nfs/dbraw/zinc/70/62/42/842706242.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103007792 842706378 /nfs/dbraw/zinc/70/63/78/842706378.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103007792 842706376 /nfs/dbraw/zinc/70/63/76/842706376.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103007792 842706373 /nfs/dbraw/zinc/70/63/73/842706373.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083977 842713568 /nfs/dbraw/zinc/71/35/68/842713568.db2.gz RKHOEFAHLVAITD-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001103085058 842713596 /nfs/dbraw/zinc/71/35/96/842713596.db2.gz BWNRKSCXAAUQPH-KFWWJZLASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001103085058 842713591 /nfs/dbraw/zinc/71/35/91/842713591.db2.gz BWNRKSCXAAUQPH-KFWWJZLASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001103085059 842714176 /nfs/dbraw/zinc/71/41/76/842714176.db2.gz BWNRKSCXAAUQPH-RBSFLKMASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001103085059 842714165 /nfs/dbraw/zinc/71/41/65/842714165.db2.gz BWNRKSCXAAUQPH-RBSFLKMASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087672 842714097 /nfs/dbraw/zinc/71/40/97/842714097.db2.gz LCIUVUKBDHQQDS-KYOSRNDESA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087674 842713831 /nfs/dbraw/zinc/71/38/31/842713831.db2.gz LCIUVUKBDHQQDS-UXIGCNINSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089828 842713949 /nfs/dbraw/zinc/71/39/49/842713949.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089828 842713946 /nfs/dbraw/zinc/71/39/46/842713946.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089828 842713943 /nfs/dbraw/zinc/71/39/43/842713943.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103111860 842715281 /nfs/dbraw/zinc/71/52/81/842715281.db2.gz RIZAXHZHEQHILP-NFAWXSAZSA-N 2 1 355.483 -0.158 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136407 842716179 /nfs/dbraw/zinc/71/61/79/842716179.db2.gz BJPHPEUWONWXGO-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136407 842716174 /nfs/dbraw/zinc/71/61/74/842716174.db2.gz BJPHPEUWONWXGO-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136407 842716166 /nfs/dbraw/zinc/71/61/66/842716166.db2.gz BJPHPEUWONWXGO-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136407 842716162 /nfs/dbraw/zinc/71/61/62/842716162.db2.gz BJPHPEUWONWXGO-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103137120 842716073 /nfs/dbraw/zinc/71/60/73/842716073.db2.gz YCAGJBMOZPIVIB-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103137120 842716065 /nfs/dbraw/zinc/71/60/65/842716065.db2.gz YCAGJBMOZPIVIB-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103137120 842716058 /nfs/dbraw/zinc/71/60/58/842716058.db2.gz YCAGJBMOZPIVIB-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103137120 842716055 /nfs/dbraw/zinc/71/60/55/842716055.db2.gz YCAGJBMOZPIVIB-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138532 842715656 /nfs/dbraw/zinc/71/56/56/842715656.db2.gz PXRMPTNRSLVILS-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138532 842715649 /nfs/dbraw/zinc/71/56/49/842715649.db2.gz PXRMPTNRSLVILS-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138532 842715647 /nfs/dbraw/zinc/71/56/47/842715647.db2.gz PXRMPTNRSLVILS-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138532 842715640 /nfs/dbraw/zinc/71/56/40/842715640.db2.gz PXRMPTNRSLVILS-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103139836 842715696 /nfs/dbraw/zinc/71/56/96/842715696.db2.gz ABHYGRQPGRRAKY-RBSFLKMASA-N 2 1 362.540 -0.050 20 0 FBADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001103140169 842715940 /nfs/dbraw/zinc/71/59/40/842715940.db2.gz QOMMYWZNBQHSMW-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001103142799 842716340 /nfs/dbraw/zinc/71/63/40/842716340.db2.gz BTNLTDWMEVRMJF-HUUCEWRRSA-N 2 1 354.495 -0.096 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103147846 842716382 /nfs/dbraw/zinc/71/63/82/842716382.db2.gz CLSRLPLPBIESQC-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103147846 842716377 /nfs/dbraw/zinc/71/63/77/842716377.db2.gz CLSRLPLPBIESQC-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103147846 842716367 /nfs/dbraw/zinc/71/63/67/842716367.db2.gz CLSRLPLPBIESQC-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103147847 842715014 /nfs/dbraw/zinc/71/50/14/842715014.db2.gz CLSRLPLPBIESQC-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103147847 842715011 /nfs/dbraw/zinc/71/50/11/842715011.db2.gz CLSRLPLPBIESQC-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103147847 842715008 /nfs/dbraw/zinc/71/50/08/842715008.db2.gz CLSRLPLPBIESQC-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719346 /nfs/dbraw/zinc/71/93/46/842719346.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719339 /nfs/dbraw/zinc/71/93/39/842719339.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719334 /nfs/dbraw/zinc/71/93/34/842719334.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 2 1 355.483 -0.014 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103233152 842725182 /nfs/dbraw/zinc/72/51/82/842725182.db2.gz BOPXVJOJGAPHDS-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103233152 842725177 /nfs/dbraw/zinc/72/51/77/842725177.db2.gz BOPXVJOJGAPHDS-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103233799 842725282 /nfs/dbraw/zinc/72/52/82/842725282.db2.gz SACLHBHCTFFBAG-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103233799 842725274 /nfs/dbraw/zinc/72/52/74/842725274.db2.gz SACLHBHCTFFBAG-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249480 842725753 /nfs/dbraw/zinc/72/57/53/842725753.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249480 842725744 /nfs/dbraw/zinc/72/57/44/842725744.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249480 842725736 /nfs/dbraw/zinc/72/57/36/842725736.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249481 842725492 /nfs/dbraw/zinc/72/54/92/842725492.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249481 842725482 /nfs/dbraw/zinc/72/54/82/842725482.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249481 842725473 /nfs/dbraw/zinc/72/54/73/842725473.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 2 1 350.463 -0.591 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365261 842729617 /nfs/dbraw/zinc/72/96/17/842729617.db2.gz VXFHWVXUILVQOC-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365261 842729613 /nfs/dbraw/zinc/72/96/13/842729613.db2.gz VXFHWVXUILVQOC-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365261 842729610 /nfs/dbraw/zinc/72/96/10/842729610.db2.gz VXFHWVXUILVQOC-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365262 842730301 /nfs/dbraw/zinc/73/03/01/842730301.db2.gz VXFHWVXUILVQOC-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365262 842730294 /nfs/dbraw/zinc/73/02/94/842730294.db2.gz VXFHWVXUILVQOC-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365262 842730289 /nfs/dbraw/zinc/73/02/89/842730289.db2.gz VXFHWVXUILVQOC-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374993 842731823 /nfs/dbraw/zinc/73/18/23/842731823.db2.gz UMPRAKMWUOYQRL-CHWSQXEVSA-N 2 1 353.467 -0.403 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378691 842731003 /nfs/dbraw/zinc/73/10/03/842731003.db2.gz FOGWDUNSDSWSBS-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380254 842731592 /nfs/dbraw/zinc/73/15/92/842731592.db2.gz LTFJUKVGUJNZCO-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380255 842731356 /nfs/dbraw/zinc/73/13/56/842731356.db2.gz LTFJUKVGUJNZCO-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380339 842730831 /nfs/dbraw/zinc/73/08/31/842730831.db2.gz QXVSBNWSADWZDE-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395633 842732555 /nfs/dbraw/zinc/73/25/55/842732555.db2.gz DHNYMYFKOYWMDI-TZMCWYRMSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396864 842732586 /nfs/dbraw/zinc/73/25/86/842732586.db2.gz NEGFZPSDBISHIG-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397080 842733205 /nfs/dbraw/zinc/73/32/05/842733205.db2.gz YLBJDJMLNQYQHW-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398250 842733325 /nfs/dbraw/zinc/73/33/25/842733325.db2.gz JTMRNDZVDKQWRQ-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398287 842733164 /nfs/dbraw/zinc/73/31/64/842733164.db2.gz LLWSXQDYTXKPFS-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398326 842735025 /nfs/dbraw/zinc/73/50/25/842735025.db2.gz NXQLGTLISFFHPF-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398518 842734791 /nfs/dbraw/zinc/73/47/91/842734791.db2.gz WJVWDYYYZYPMCB-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398519 842734380 /nfs/dbraw/zinc/73/43/80/842734380.db2.gz WJVWDYYYZYPMCB-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103407743 842734114 /nfs/dbraw/zinc/73/41/14/842734114.db2.gz RIZAXHZHEQHILP-UMVBOHGHSA-N 2 1 355.483 -0.158 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433610 842734080 /nfs/dbraw/zinc/73/40/80/842734080.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433610 842734070 /nfs/dbraw/zinc/73/40/70/842734070.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433610 842734065 /nfs/dbraw/zinc/73/40/65/842734065.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734629 /nfs/dbraw/zinc/73/46/29/842734629.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734618 /nfs/dbraw/zinc/73/46/18/842734618.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734614 /nfs/dbraw/zinc/73/46/14/842734614.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735243 /nfs/dbraw/zinc/73/52/43/842735243.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735236 /nfs/dbraw/zinc/73/52/36/842735236.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735233 /nfs/dbraw/zinc/73/52/33/842735233.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735210 /nfs/dbraw/zinc/73/52/10/842735210.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735205 /nfs/dbraw/zinc/73/52/05/842735205.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735204 /nfs/dbraw/zinc/73/52/04/842735204.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103443566 842736265 /nfs/dbraw/zinc/73/62/65/842736265.db2.gz ABHYGRQPGRRAKY-KFWWJZLASA-N 2 1 362.540 -0.050 20 0 FBADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001103444941 842736511 /nfs/dbraw/zinc/73/65/11/842736511.db2.gz QOMMYWZNBQHSMW-MCIONIFRSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001103520277 842739681 /nfs/dbraw/zinc/73/96/81/842739681.db2.gz LTMARXLYZVEUAL-ZIAGYGMSSA-N 2 1 350.467 -0.382 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536758 842741426 /nfs/dbraw/zinc/74/14/26/842741426.db2.gz BDJJKOJHZZIWHO-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536758 842741423 /nfs/dbraw/zinc/74/14/23/842741423.db2.gz BDJJKOJHZZIWHO-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536985 842741888 /nfs/dbraw/zinc/74/18/88/842741888.db2.gz LYOSDQTXGHEHPD-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536985 842741884 /nfs/dbraw/zinc/74/18/84/842741884.db2.gz LYOSDQTXGHEHPD-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537048 842741375 /nfs/dbraw/zinc/74/13/75/842741375.db2.gz PHJMWGMLUORHQD-IAGOWNOFSA-N 2 1 357.495 -0.208 20 0 FBADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537048 842741371 /nfs/dbraw/zinc/74/13/71/842741371.db2.gz PHJMWGMLUORHQD-IAGOWNOFSA-N 2 1 357.495 -0.208 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537167 842740773 /nfs/dbraw/zinc/74/07/73/842740773.db2.gz WZYOHEGNXKDTKN-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537167 842740761 /nfs/dbraw/zinc/74/07/61/842740761.db2.gz WZYOHEGNXKDTKN-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537168 842741832 /nfs/dbraw/zinc/74/18/32/842741832.db2.gz WZYOHEGNXKDTKN-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537168 842741828 /nfs/dbraw/zinc/74/18/28/842741828.db2.gz WZYOHEGNXKDTKN-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537171 842741497 /nfs/dbraw/zinc/74/14/97/842741497.db2.gz XCHKQYZGQDMIAF-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537171 842741491 /nfs/dbraw/zinc/74/14/91/842741491.db2.gz XCHKQYZGQDMIAF-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537172 842741519 /nfs/dbraw/zinc/74/15/19/842741519.db2.gz XCHKQYZGQDMIAF-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537172 842741512 /nfs/dbraw/zinc/74/15/12/842741512.db2.gz XCHKQYZGQDMIAF-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537191 842741862 /nfs/dbraw/zinc/74/18/62/842741862.db2.gz YJCSFRKWWOKBML-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537191 842741857 /nfs/dbraw/zinc/74/18/57/842741857.db2.gz YJCSFRKWWOKBML-BZUAXINKSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537192 842740898 /nfs/dbraw/zinc/74/08/98/842740898.db2.gz YJCSFRKWWOKBML-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537192 842740889 /nfs/dbraw/zinc/74/08/89/842740889.db2.gz YJCSFRKWWOKBML-OAGGEKHMSA-N 2 1 352.479 -0.329 20 0 FBADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103550370 842743908 /nfs/dbraw/zinc/74/39/08/842743908.db2.gz MKYLFBSABLMYLK-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103550393 842742779 /nfs/dbraw/zinc/74/27/79/842742779.db2.gz NNBWAZPIWGUJRJ-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550590 842743388 /nfs/dbraw/zinc/74/33/88/842743388.db2.gz YALITXMHBGLDDM-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550591 842743198 /nfs/dbraw/zinc/74/31/98/842743198.db2.gz YALITXMHBGLDDM-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584540 842744836 /nfs/dbraw/zinc/74/48/36/842744836.db2.gz YVWQOJAGCMIXQA-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745101 /nfs/dbraw/zinc/74/51/01/842745101.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745098 /nfs/dbraw/zinc/74/50/98/842745098.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745091 /nfs/dbraw/zinc/74/50/91/842745091.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744897 /nfs/dbraw/zinc/74/48/97/842744897.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744896 /nfs/dbraw/zinc/74/48/96/842744896.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744893 /nfs/dbraw/zinc/74/48/93/842744893.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745528 /nfs/dbraw/zinc/74/55/28/842745528.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745520 /nfs/dbraw/zinc/74/55/20/842745520.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745513 /nfs/dbraw/zinc/74/55/13/842745513.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745152 /nfs/dbraw/zinc/74/51/52/842745152.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745143 /nfs/dbraw/zinc/74/51/43/842745143.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745134 /nfs/dbraw/zinc/74/51/34/842745134.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103641746 842747090 /nfs/dbraw/zinc/74/70/90/842747090.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103641746 842747084 /nfs/dbraw/zinc/74/70/84/842747084.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641746 842747082 /nfs/dbraw/zinc/74/70/82/842747082.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103641747 842746378 /nfs/dbraw/zinc/74/63/78/842746378.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103641747 842746373 /nfs/dbraw/zinc/74/63/73/842746373.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641747 842746366 /nfs/dbraw/zinc/74/63/66/842746366.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641755 842746149 /nfs/dbraw/zinc/74/61/49/842746149.db2.gz BGPOAYXQQVBLMW-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641756 842746117 /nfs/dbraw/zinc/74/61/17/842746117.db2.gz BGPOAYXQQVBLMW-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641842 842746443 /nfs/dbraw/zinc/74/64/43/842746443.db2.gz GINWFFNGDOPQQZ-HUUCEWRRSA-N 2 1 363.524 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641882 842747008 /nfs/dbraw/zinc/74/70/08/842747008.db2.gz HYWFNPNFMKCARD-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641916 842748635 /nfs/dbraw/zinc/74/86/35/842748635.db2.gz JFKSMHZTDUYRSL-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641916 842748624 /nfs/dbraw/zinc/74/86/24/842748624.db2.gz JFKSMHZTDUYRSL-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641955 842748075 /nfs/dbraw/zinc/74/80/75/842748075.db2.gz KJRIUHNARXLXPN-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642072 842747600 /nfs/dbraw/zinc/74/76/00/842747600.db2.gz PSWSDCZPAYEWJW-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642119 842747503 /nfs/dbraw/zinc/74/75/03/842747503.db2.gz RFHIECJFNBZVDF-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642119 842747494 /nfs/dbraw/zinc/74/74/94/842747494.db2.gz RFHIECJFNBZVDF-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642132 842748760 /nfs/dbraw/zinc/74/87/60/842748760.db2.gz RLWGXRIHIXCRJD-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642132 842748754 /nfs/dbraw/zinc/74/87/54/842748754.db2.gz RLWGXRIHIXCRJD-HUUCEWRRSA-N 2 1 352.483 -0.033 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642247 842748247 /nfs/dbraw/zinc/74/82/47/842748247.db2.gz WLWNWIFXQJFPHC-ZIAGYGMSSA-N 2 1 353.471 -0.638 20 0 FBADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642247 842748242 /nfs/dbraw/zinc/74/82/42/842748242.db2.gz WLWNWIFXQJFPHC-ZIAGYGMSSA-N 2 1 353.471 -0.638 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642303 842747705 /nfs/dbraw/zinc/74/77/05/842747705.db2.gz ZGYQDNYZFQMJMS-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643122 842748016 /nfs/dbraw/zinc/74/80/16/842748016.db2.gz DPQCYMOPAZKSCF-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643123 842748203 /nfs/dbraw/zinc/74/82/03/842748203.db2.gz DPQCYMOPAZKSCF-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643427 842747922 /nfs/dbraw/zinc/74/79/22/842747922.db2.gz JHQPSUZUUOVVBF-HZPDHXFCSA-N 2 1 352.483 -0.070 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647043 842748158 /nfs/dbraw/zinc/74/81/58/842748158.db2.gz RLODVEIJBGCGMS-CHWSQXEVSA-N 2 1 351.451 -0.649 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655087 842747948 /nfs/dbraw/zinc/74/79/48/842747948.db2.gz OQQOUOLDLUGYBY-ZIAGYGMSSA-N 2 1 355.483 -0.013 20 0 FBADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748678 /nfs/dbraw/zinc/74/86/78/842748678.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 2 1 355.483 -0.013 20 0 FBADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748669 /nfs/dbraw/zinc/74/86/69/842748669.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 2 1 355.483 -0.013 20 0 FBADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748660 /nfs/dbraw/zinc/74/86/60/842748660.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 2 1 355.483 -0.013 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103663807 842748373 /nfs/dbraw/zinc/74/83/73/842748373.db2.gz VOXAPGOXEDDUTE-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103663807 842748368 /nfs/dbraw/zinc/74/83/68/842748368.db2.gz VOXAPGOXEDDUTE-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103663807 842748358 /nfs/dbraw/zinc/74/83/58/842748358.db2.gz VOXAPGOXEDDUTE-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748454 /nfs/dbraw/zinc/74/84/54/842748454.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748450 /nfs/dbraw/zinc/74/84/50/842748450.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748444 /nfs/dbraw/zinc/74/84/44/842748444.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747980 /nfs/dbraw/zinc/74/79/80/842747980.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747976 /nfs/dbraw/zinc/74/79/76/842747976.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747970 /nfs/dbraw/zinc/74/79/70/842747970.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748509 /nfs/dbraw/zinc/74/85/09/842748509.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748501 /nfs/dbraw/zinc/74/85/01/842748501.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748497 /nfs/dbraw/zinc/74/84/97/842748497.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718747 842751385 /nfs/dbraw/zinc/75/13/85/842751385.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718747 842751380 /nfs/dbraw/zinc/75/13/80/842751380.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718747 842751378 /nfs/dbraw/zinc/75/13/78/842751378.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718748 842753200 /nfs/dbraw/zinc/75/32/00/842753200.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718748 842753195 /nfs/dbraw/zinc/75/31/95/842753195.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718748 842753192 /nfs/dbraw/zinc/75/31/92/842753192.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719171 842752721 /nfs/dbraw/zinc/75/27/21/842752721.db2.gz SYTBVWSEWXKZSU-MCIONIFRSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719171 842752718 /nfs/dbraw/zinc/75/27/18/842752718.db2.gz SYTBVWSEWXKZSU-MCIONIFRSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719171 842752707 /nfs/dbraw/zinc/75/27/07/842752707.db2.gz SYTBVWSEWXKZSU-MCIONIFRSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719172 842753669 /nfs/dbraw/zinc/75/36/69/842753669.db2.gz SYTBVWSEWXKZSU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719172 842753660 /nfs/dbraw/zinc/75/36/60/842753660.db2.gz SYTBVWSEWXKZSU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719172 842753653 /nfs/dbraw/zinc/75/36/53/842753653.db2.gz SYTBVWSEWXKZSU-MGPQQGTHSA-N 2 1 350.467 -0.366 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721488 842753414 /nfs/dbraw/zinc/75/34/14/842753414.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721488 842753406 /nfs/dbraw/zinc/75/34/06/842753406.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721488 842753396 /nfs/dbraw/zinc/75/33/96/842753396.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721489 842752329 /nfs/dbraw/zinc/75/23/29/842752329.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721489 842752319 /nfs/dbraw/zinc/75/23/19/842752319.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721489 842752317 /nfs/dbraw/zinc/75/23/17/842752317.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722468 842752628 /nfs/dbraw/zinc/75/26/28/842752628.db2.gz OKGUKIMMRMSWER-ZIAGYGMSSA-N 2 1 353.467 -0.388 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722625 842753452 /nfs/dbraw/zinc/75/34/52/842753452.db2.gz XDTKJRLRXJDRKK-ZIAGYGMSSA-N 2 1 350.467 -0.222 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722654 842753321 /nfs/dbraw/zinc/75/33/21/842753321.db2.gz YHCDFWRTAPGNHR-KFWWJZLASA-N 2 1 350.463 -0.038 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722655 842752430 /nfs/dbraw/zinc/75/24/30/842752430.db2.gz YHCDFWRTAPGNHR-RBSFLKMASA-N 2 1 350.463 -0.038 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723240 842752556 /nfs/dbraw/zinc/75/25/56/842752556.db2.gz AGOZQOPRULRADY-HUUCEWRRSA-N 2 1 360.524 -0.294 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723538 842752869 /nfs/dbraw/zinc/75/28/69/842752869.db2.gz PEKQYASENIRPOX-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723539 842752900 /nfs/dbraw/zinc/75/29/00/842752900.db2.gz PEKQYASENIRPOX-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103723605 842753564 /nfs/dbraw/zinc/75/35/64/842753564.db2.gz SWZWBUPGTNZCIQ-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103723605 842753558 /nfs/dbraw/zinc/75/35/58/842753558.db2.gz SWZWBUPGTNZCIQ-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103724634 842753105 /nfs/dbraw/zinc/75/31/05/842753105.db2.gz NANZUJRNYZFZHX-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103724634 842753096 /nfs/dbraw/zinc/75/30/96/842753096.db2.gz NANZUJRNYZFZHX-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724693 842752645 /nfs/dbraw/zinc/75/26/45/842752645.db2.gz PMWYUHMHPGCCPS-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724694 842752292 /nfs/dbraw/zinc/75/22/92/842752292.db2.gz PMWYUHMHPGCCPS-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740616 842756309 /nfs/dbraw/zinc/75/63/09/842756309.db2.gz OMSIDZZGUDSQKV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740616 842756298 /nfs/dbraw/zinc/75/62/98/842756298.db2.gz OMSIDZZGUDSQKV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740616 842756285 /nfs/dbraw/zinc/75/62/85/842756285.db2.gz OMSIDZZGUDSQKV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740616 842756280 /nfs/dbraw/zinc/75/62/80/842756280.db2.gz OMSIDZZGUDSQKV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740617 842756001 /nfs/dbraw/zinc/75/60/01/842756001.db2.gz OMSIDZZGUDSQKV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740617 842755994 /nfs/dbraw/zinc/75/59/94/842755994.db2.gz OMSIDZZGUDSQKV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740617 842755984 /nfs/dbraw/zinc/75/59/84/842755984.db2.gz OMSIDZZGUDSQKV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103740617 842755980 /nfs/dbraw/zinc/75/59/80/842755980.db2.gz OMSIDZZGUDSQKV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740779 842756418 /nfs/dbraw/zinc/75/64/18/842756418.db2.gz USXBPBPBCXIUCI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740779 842756413 /nfs/dbraw/zinc/75/64/13/842756413.db2.gz USXBPBPBCXIUCI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740779 842756407 /nfs/dbraw/zinc/75/64/07/842756407.db2.gz USXBPBPBCXIUCI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740779 842756394 /nfs/dbraw/zinc/75/63/94/842756394.db2.gz USXBPBPBCXIUCI-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740780 842756592 /nfs/dbraw/zinc/75/65/92/842756592.db2.gz USXBPBPBCXIUCI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740780 842756591 /nfs/dbraw/zinc/75/65/91/842756591.db2.gz USXBPBPBCXIUCI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740780 842756586 /nfs/dbraw/zinc/75/65/86/842756586.db2.gz USXBPBPBCXIUCI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740780 842756581 /nfs/dbraw/zinc/75/65/81/842756581.db2.gz USXBPBPBCXIUCI-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001103740801 842756792 /nfs/dbraw/zinc/75/67/92/842756792.db2.gz VKBNNLGCSZLGML-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001103740801 842756783 /nfs/dbraw/zinc/75/67/83/842756783.db2.gz VKBNNLGCSZLGML-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103740801 842756777 /nfs/dbraw/zinc/75/67/77/842756777.db2.gz VKBNNLGCSZLGML-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103740801 842756770 /nfs/dbraw/zinc/75/67/70/842756770.db2.gz VKBNNLGCSZLGML-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001103740802 842756545 /nfs/dbraw/zinc/75/65/45/842756545.db2.gz VKBNNLGCSZLGML-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001103740802 842756541 /nfs/dbraw/zinc/75/65/41/842756541.db2.gz VKBNNLGCSZLGML-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103740802 842756535 /nfs/dbraw/zinc/75/65/35/842756535.db2.gz VKBNNLGCSZLGML-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103740802 842756530 /nfs/dbraw/zinc/75/65/30/842756530.db2.gz VKBNNLGCSZLGML-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755339 842758637 /nfs/dbraw/zinc/75/86/37/842758637.db2.gz CROCXZXCXWCYEX-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755339 842758633 /nfs/dbraw/zinc/75/86/33/842758633.db2.gz CROCXZXCXWCYEX-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755339 842758629 /nfs/dbraw/zinc/75/86/29/842758629.db2.gz CROCXZXCXWCYEX-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757845 /nfs/dbraw/zinc/75/78/45/842757845.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757839 /nfs/dbraw/zinc/75/78/39/842757839.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757836 /nfs/dbraw/zinc/75/78/36/842757836.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758603 /nfs/dbraw/zinc/75/86/03/842758603.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758597 /nfs/dbraw/zinc/75/85/97/842758597.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758591 /nfs/dbraw/zinc/75/85/91/842758591.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758261 /nfs/dbraw/zinc/75/82/61/842758261.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758258 /nfs/dbraw/zinc/75/82/58/842758258.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758249 /nfs/dbraw/zinc/75/82/49/842758249.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001103999493 842766395 /nfs/dbraw/zinc/76/63/95/842766395.db2.gz AOEDHCBNHHTZBS-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001103999494 842766504 /nfs/dbraw/zinc/76/65/04/842766504.db2.gz AOEDHCBNHHTZBS-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001103999530 842766470 /nfs/dbraw/zinc/76/64/70/842766470.db2.gz BQYPIDRWLOAXBG-MCIONIFRSA-N 2 1 350.467 -0.223 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001103999531 842766169 /nfs/dbraw/zinc/76/61/69/842766169.db2.gz BQYPIDRWLOAXBG-MGPQQGTHSA-N 2 1 350.467 -0.223 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999620 842766564 /nfs/dbraw/zinc/76/65/64/842766564.db2.gz FJGYNQHHYKNFKB-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999621 842766581 /nfs/dbraw/zinc/76/65/81/842766581.db2.gz FJGYNQHHYKNFKB-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033712 842768537 /nfs/dbraw/zinc/76/85/37/842768537.db2.gz DMWUFHDQZOICMO-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033712 842768535 /nfs/dbraw/zinc/76/85/35/842768535.db2.gz DMWUFHDQZOICMO-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033713 842768625 /nfs/dbraw/zinc/76/86/25/842768625.db2.gz DMWUFHDQZOICMO-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033713 842768623 /nfs/dbraw/zinc/76/86/23/842768623.db2.gz DMWUFHDQZOICMO-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104033814 842768404 /nfs/dbraw/zinc/76/84/04/842768404.db2.gz IOTPLGBTRJCECM-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104033814 842768396 /nfs/dbraw/zinc/76/83/96/842768396.db2.gz IOTPLGBTRJCECM-FMKPAKJESA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104033815 842768457 /nfs/dbraw/zinc/76/84/57/842768457.db2.gz IOTPLGBTRJCECM-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104033815 842768454 /nfs/dbraw/zinc/76/84/54/842768454.db2.gz IOTPLGBTRJCECM-IIAWOOMASA-N 2 1 350.467 -0.280 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104033830 842768982 /nfs/dbraw/zinc/76/89/82/842768982.db2.gz IZIWIDNHJWKNSI-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104033830 842768978 /nfs/dbraw/zinc/76/89/78/842768978.db2.gz IZIWIDNHJWKNSI-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104033831 842768669 /nfs/dbraw/zinc/76/86/69/842768669.db2.gz IZIWIDNHJWKNSI-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104033831 842768664 /nfs/dbraw/zinc/76/86/64/842768664.db2.gz IZIWIDNHJWKNSI-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034090 842768492 /nfs/dbraw/zinc/76/84/92/842768492.db2.gz SCXXTLAHQQRJCV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034090 842768487 /nfs/dbraw/zinc/76/84/87/842768487.db2.gz SCXXTLAHQQRJCV-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034091 842768878 /nfs/dbraw/zinc/76/88/78/842768878.db2.gz SCXXTLAHQQRJCV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034091 842768874 /nfs/dbraw/zinc/76/88/74/842768874.db2.gz SCXXTLAHQQRJCV-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104034138 842769170 /nfs/dbraw/zinc/76/91/70/842769170.db2.gz UMTHIOGDIVYRSI-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104034138 842769160 /nfs/dbraw/zinc/76/91/60/842769160.db2.gz UMTHIOGDIVYRSI-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104034139 842768775 /nfs/dbraw/zinc/76/87/75/842768775.db2.gz UMTHIOGDIVYRSI-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104034139 842768771 /nfs/dbraw/zinc/76/87/71/842768771.db2.gz UMTHIOGDIVYRSI-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104034158 842768380 /nfs/dbraw/zinc/76/83/80/842768380.db2.gz VFNQCTWQRPRGGW-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104034158 842768373 /nfs/dbraw/zinc/76/83/73/842768373.db2.gz VFNQCTWQRPRGGW-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104034159 842768268 /nfs/dbraw/zinc/76/82/68/842768268.db2.gz VFNQCTWQRPRGGW-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104034159 842768257 /nfs/dbraw/zinc/76/82/57/842768257.db2.gz VFNQCTWQRPRGGW-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104034197 842768718 /nfs/dbraw/zinc/76/87/18/842768718.db2.gz XGUAMXBVGIFUOU-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104034197 842768713 /nfs/dbraw/zinc/76/87/13/842768713.db2.gz XGUAMXBVGIFUOU-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104034198 842768639 /nfs/dbraw/zinc/76/86/39/842768639.db2.gz XGUAMXBVGIFUOU-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104034198 842768633 /nfs/dbraw/zinc/76/86/33/842768633.db2.gz XGUAMXBVGIFUOU-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034247 842769034 /nfs/dbraw/zinc/76/90/34/842769034.db2.gz ZUEAFRXLXUSMDE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034247 842769024 /nfs/dbraw/zinc/76/90/24/842769024.db2.gz ZUEAFRXLXUSMDE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034248 842769008 /nfs/dbraw/zinc/76/90/08/842769008.db2.gz ZUEAFRXLXUSMDE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034248 842768999 /nfs/dbraw/zinc/76/89/99/842768999.db2.gz ZUEAFRXLXUSMDE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001104210827 842776366 /nfs/dbraw/zinc/77/63/66/842776366.db2.gz CUZXAQAOYGEVED-AAVRWANBSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001104212349 842776819 /nfs/dbraw/zinc/77/68/19/842776819.db2.gz CRQCKQLLXQLORC-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289733 835998212 /nfs/dbraw/zinc/99/82/12/835998212.db2.gz RTPRJDUHESVVIK-KFWWJZLASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289734 835998258 /nfs/dbraw/zinc/99/82/58/835998258.db2.gz RTPRJDUHESVVIK-RBSFLKMASA-N 2 1 350.467 -0.627 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104294354 835999648 /nfs/dbraw/zinc/99/96/48/835999648.db2.gz KYGXMMOUFVSMCU-CHWSQXEVSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104346705 836008278 /nfs/dbraw/zinc/00/82/78/836008278.db2.gz HPVMZGODQYSARI-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104346705 836008268 /nfs/dbraw/zinc/00/82/68/836008268.db2.gz HPVMZGODQYSARI-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCOCCO ZINC001104347411 836007625 /nfs/dbraw/zinc/00/76/25/836007625.db2.gz YRTBEUIWYJHQBO-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCOCCO ZINC001104347411 836007615 /nfs/dbraw/zinc/00/76/15/836007615.db2.gz YRTBEUIWYJHQBO-QBPKDAKJSA-N 2 1 357.495 -0.211 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347434 836007806 /nfs/dbraw/zinc/00/78/06/836007806.db2.gz ZRPUYDQEIYODCZ-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347434 836007792 /nfs/dbraw/zinc/00/77/92/836007792.db2.gz ZRPUYDQEIYODCZ-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104422337 836026314 /nfs/dbraw/zinc/02/63/14/836026314.db2.gz MLSHSJQSLDFOEI-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104422487 836026534 /nfs/dbraw/zinc/02/65/34/836026534.db2.gz VIOMUQKLPAIFSX-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433493 836028830 /nfs/dbraw/zinc/02/88/30/836028830.db2.gz GQKYLVPQONLYNK-ILLDSPSKSA-N 2 1 350.463 -0.591 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433494 836028660 /nfs/dbraw/zinc/02/86/60/836028660.db2.gz GQKYLVPQONLYNK-PGJZFTLKSA-N 2 1 350.463 -0.591 20 0 FBADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582081 836048695 /nfs/dbraw/zinc/04/86/95/836048695.db2.gz VCZIODOUJJRWTE-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582081 836048684 /nfs/dbraw/zinc/04/86/84/836048684.db2.gz VCZIODOUJJRWTE-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582082 836048944 /nfs/dbraw/zinc/04/89/44/836048944.db2.gz VCZIODOUJJRWTE-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582082 836048934 /nfs/dbraw/zinc/04/89/34/836048934.db2.gz VCZIODOUJJRWTE-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104676521 836053032 /nfs/dbraw/zinc/05/30/32/836053032.db2.gz NWYTWYYGMOMMLD-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104676522 836053101 /nfs/dbraw/zinc/05/31/01/836053101.db2.gz NWYTWYYGMOMMLD-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680460 836053447 /nfs/dbraw/zinc/05/34/47/836053447.db2.gz QXMFKHDDSMENDI-BFHYXJOUSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680462 836053557 /nfs/dbraw/zinc/05/35/57/836053557.db2.gz QXMFKHDDSMENDI-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104794519 836065021 /nfs/dbraw/zinc/06/50/21/836065021.db2.gz APZKQPIBAJYZJF-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794774 836064699 /nfs/dbraw/zinc/06/46/99/836064699.db2.gz GIFUFTRWWPQSDG-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794954 836064997 /nfs/dbraw/zinc/06/49/97/836064997.db2.gz JSLJNXBYYVYWJP-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794955 836064526 /nfs/dbraw/zinc/06/45/26/836064526.db2.gz JSLJNXBYYVYWJP-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104795304 836064967 /nfs/dbraw/zinc/06/49/67/836064967.db2.gz MNAFVTDNHZWGPQ-IAGOWNOFSA-N 2 1 357.495 -0.208 20 0 FBADMP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795366 836064770 /nfs/dbraw/zinc/06/47/70/836064770.db2.gz OZSZQQUHAJAFOV-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795367 836064489 /nfs/dbraw/zinc/06/44/89/836064489.db2.gz OZSZQQUHAJAFOV-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104872618 836069475 /nfs/dbraw/zinc/06/94/75/836069475.db2.gz QMVVOQREKQJAOZ-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104874084 836068620 /nfs/dbraw/zinc/06/86/20/836068620.db2.gz OLJGDYLJBKMJQA-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104874085 836069031 /nfs/dbraw/zinc/06/90/31/836069031.db2.gz OLJGDYLJBKMJQA-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104874249 836068967 /nfs/dbraw/zinc/06/89/67/836068967.db2.gz QNLRXFQADNRRJM-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104908486 836071021 /nfs/dbraw/zinc/07/10/21/836071021.db2.gz YXCLUSIZTTVGRC-HZSPNIEDSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104908487 836071291 /nfs/dbraw/zinc/07/12/91/836071291.db2.gz YXCLUSIZTTVGRC-MGPQQGTHSA-N 2 1 353.467 -0.403 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104932693 836072379 /nfs/dbraw/zinc/07/23/79/836072379.db2.gz HUEZIXHKKFDZBT-ZIAGYGMSSA-N 2 1 355.483 -0.013 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104937804 836071746 /nfs/dbraw/zinc/07/17/46/836071746.db2.gz HZHOCSCCSOZFFK-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104937858 836071708 /nfs/dbraw/zinc/07/17/08/836071708.db2.gz JSVMWXJFNHRCBR-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104939508 836071836 /nfs/dbraw/zinc/07/18/36/836071836.db2.gz SVGSGRKDWQFTTN-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104939509 836071677 /nfs/dbraw/zinc/07/16/77/836071677.db2.gz SVGSGRKDWQFTTN-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007615 836074945 /nfs/dbraw/zinc/07/49/45/836074945.db2.gz CLAMCSRQDMFSBM-MCIONIFRSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007620 836075244 /nfs/dbraw/zinc/07/52/44/836075244.db2.gz CLAMCSRQDMFSBM-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001105010723 836075163 /nfs/dbraw/zinc/07/51/63/836075163.db2.gz WWJAVOPIXRNSLG-KFWWJZLASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001105010724 836074656 /nfs/dbraw/zinc/07/46/56/836074656.db2.gz WWJAVOPIXRNSLG-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105013898 836075098 /nfs/dbraw/zinc/07/50/98/836075098.db2.gz ZXRXKRMQEMWAQM-DGCLKSJQSA-N 2 1 350.423 -0.539 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001105017047 836075844 /nfs/dbraw/zinc/07/58/44/836075844.db2.gz NNSNEMKUSUVPFZ-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001105042172 836077796 /nfs/dbraw/zinc/07/77/96/836077796.db2.gz QWVRULPOTAUPSD-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001105042172 836077791 /nfs/dbraw/zinc/07/77/91/836077791.db2.gz QWVRULPOTAUPSD-BRWVUGGUSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001105042173 836077775 /nfs/dbraw/zinc/07/77/75/836077775.db2.gz QWVRULPOTAUPSD-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001105042173 836077768 /nfs/dbraw/zinc/07/77/68/836077768.db2.gz QWVRULPOTAUPSD-ZACQAIPSSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001105042252 836077571 /nfs/dbraw/zinc/07/75/71/836077571.db2.gz TYTORLPNYOGQKB-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001105042252 836077562 /nfs/dbraw/zinc/07/75/62/836077562.db2.gz TYTORLPNYOGQKB-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001105042253 836078129 /nfs/dbraw/zinc/07/81/29/836078129.db2.gz TYTORLPNYOGQKB-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001105042253 836078118 /nfs/dbraw/zinc/07/81/18/836078118.db2.gz TYTORLPNYOGQKB-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042275 836078290 /nfs/dbraw/zinc/07/82/90/836078290.db2.gz URHTZRUELDUPOG-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042275 836078277 /nfs/dbraw/zinc/07/82/77/836078277.db2.gz URHTZRUELDUPOG-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042276 836077647 /nfs/dbraw/zinc/07/76/47/836077647.db2.gz URHTZRUELDUPOG-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042276 836077635 /nfs/dbraw/zinc/07/76/35/836077635.db2.gz URHTZRUELDUPOG-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064574 836079162 /nfs/dbraw/zinc/07/91/62/836079162.db2.gz XJXLWAUPMPLSTD-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001105066917 836079764 /nfs/dbraw/zinc/07/97/64/836079764.db2.gz GHKBJYYXNKLIBK-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001105067396 836080053 /nfs/dbraw/zinc/08/00/53/836080053.db2.gz YVKCBJVNNORMMS-HZSPNIEDSA-N 2 1 355.483 -0.016 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001105067397 836079636 /nfs/dbraw/zinc/07/96/36/836079636.db2.gz YVKCBJVNNORMMS-MGPQQGTHSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001105244225 836083322 /nfs/dbraw/zinc/08/33/22/836083322.db2.gz RENRTVKOBKFCFO-JKSUJKDBSA-N 2 1 350.467 -0.136 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)O)nn3)C2)CC[N@H+]1C ZINC001105244466 836083149 /nfs/dbraw/zinc/08/31/49/836083149.db2.gz YKQDKICYIYUXCJ-UHOFOFEASA-N 2 1 350.467 -0.138 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)O)nn3)C2)CC[N@H+]1C ZINC001105244467 836083256 /nfs/dbraw/zinc/08/32/56/836083256.db2.gz YKQDKICYIYUXCJ-VBNZEHGJSA-N 2 1 350.467 -0.138 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001105268301 836084031 /nfs/dbraw/zinc/08/40/31/836084031.db2.gz IIJRNJVMXOAPJH-IUODEOHRSA-N 2 1 354.430 -0.170 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001105268301 836084024 /nfs/dbraw/zinc/08/40/24/836084024.db2.gz IIJRNJVMXOAPJH-IUODEOHRSA-N 2 1 354.430 -0.170 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105666924 836527833 /nfs/dbraw/zinc/52/78/33/836527833.db2.gz LEGHSUVRQVRYTO-DTDBQYNISA-N 2 1 354.495 -0.220 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105666925 836527357 /nfs/dbraw/zinc/52/73/57/836527357.db2.gz LEGHSUVRQVRYTO-DTTOXWODSA-N 2 1 354.495 -0.220 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105666926 836527452 /nfs/dbraw/zinc/52/74/52/836527452.db2.gz LEGHSUVRQVRYTO-KJWYOANISA-N 2 1 354.495 -0.220 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105666927 836527765 /nfs/dbraw/zinc/52/77/65/836527765.db2.gz LEGHSUVRQVRYTO-KNCCTNLNSA-N 2 1 354.495 -0.220 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669480 836531568 /nfs/dbraw/zinc/53/15/68/836531568.db2.gz SCKGKAJHZVNOPX-DTDBQYNISA-N 2 1 354.495 -0.220 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669481 836531379 /nfs/dbraw/zinc/53/13/79/836531379.db2.gz SCKGKAJHZVNOPX-DTTOXWODSA-N 2 1 354.495 -0.220 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669482 836531181 /nfs/dbraw/zinc/53/11/81/836531181.db2.gz SCKGKAJHZVNOPX-KJWYOANISA-N 2 1 354.495 -0.220 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669483 836531446 /nfs/dbraw/zinc/53/14/46/836531446.db2.gz SCKGKAJHZVNOPX-KNCCTNLNSA-N 2 1 354.495 -0.220 20 0 FBADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676825 836540241 /nfs/dbraw/zinc/54/02/41/836540241.db2.gz ZCYQXXCCXCYDLQ-DTDBQYNISA-N 2 1 354.495 -0.222 20 0 FBADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676826 836540382 /nfs/dbraw/zinc/54/03/82/836540382.db2.gz ZCYQXXCCXCYDLQ-DTTOXWODSA-N 2 1 354.495 -0.222 20 0 FBADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676827 836540262 /nfs/dbraw/zinc/54/02/62/836540262.db2.gz ZCYQXXCCXCYDLQ-KJWYOANISA-N 2 1 354.495 -0.222 20 0 FBADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676828 836540360 /nfs/dbraw/zinc/54/03/60/836540360.db2.gz ZCYQXXCCXCYDLQ-KNCCTNLNSA-N 2 1 354.495 -0.222 20 0 FBADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941694 836902230 /nfs/dbraw/zinc/90/22/30/836902230.db2.gz IHVBOIOPTJNQIK-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941695 836902290 /nfs/dbraw/zinc/90/22/90/836902290.db2.gz IHVBOIOPTJNQIK-OIISXLGYSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001105942014 836902594 /nfs/dbraw/zinc/90/25/94/836902594.db2.gz USXAPIXESXNXME-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001105942015 836901962 /nfs/dbraw/zinc/90/19/62/836901962.db2.gz USXAPIXESXNXME-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942090 836902028 /nfs/dbraw/zinc/90/20/28/836902028.db2.gz XVBLBEUTPPSWDR-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942091 836902393 /nfs/dbraw/zinc/90/23/93/836902393.db2.gz XVBLBEUTPPSWDR-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001105945374 836901826 /nfs/dbraw/zinc/90/18/26/836901826.db2.gz VHVQYBPLCMWGFE-KFWWJZLASA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001105945375 836902546 /nfs/dbraw/zinc/90/25/46/836902546.db2.gz VHVQYBPLCMWGFE-RBSFLKMASA-N 2 1 350.463 -0.086 20 0 FBADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945430 836902430 /nfs/dbraw/zinc/90/24/30/836902430.db2.gz XMFOYIPGTRCZDE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945431 836902577 /nfs/dbraw/zinc/90/25/77/836902577.db2.gz XMFOYIPGTRCZDE-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945463 836902535 /nfs/dbraw/zinc/90/25/35/836902535.db2.gz YHRULSNQEKXTDL-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945464 836901671 /nfs/dbraw/zinc/90/16/71/836901671.db2.gz YHRULSNQEKXTDL-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001105945871 836902181 /nfs/dbraw/zinc/90/21/81/836902181.db2.gz GZIGFIVYRSUELE-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001105945872 836901893 /nfs/dbraw/zinc/90/18/93/836901893.db2.gz GZIGFIVYRSUELE-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001105946058 836901863 /nfs/dbraw/zinc/90/18/63/836901863.db2.gz KAVBKNWGEYHRRR-KFWWJZLASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001105946059 836902320 /nfs/dbraw/zinc/90/23/20/836902320.db2.gz KAVBKNWGEYHRRR-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946406 836902562 /nfs/dbraw/zinc/90/25/62/836902562.db2.gz SNATVXSZEIHQCT-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946407 836901798 /nfs/dbraw/zinc/90/17/98/836901798.db2.gz SNATVXSZEIHQCT-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105973776 836904818 /nfs/dbraw/zinc/90/48/18/836904818.db2.gz BDLJSSJCMWSQCD-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105973776 836904810 /nfs/dbraw/zinc/90/48/10/836904810.db2.gz BDLJSSJCMWSQCD-KFWWJZLASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105973777 836905221 /nfs/dbraw/zinc/90/52/21/836905221.db2.gz BDLJSSJCMWSQCD-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105973777 836905213 /nfs/dbraw/zinc/90/52/13/836905213.db2.gz BDLJSSJCMWSQCD-RBSFLKMASA-N 2 1 353.467 -0.974 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001105973847 836905010 /nfs/dbraw/zinc/90/50/10/836905010.db2.gz DQRBNTCQJZUAMX-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001105973847 836905004 /nfs/dbraw/zinc/90/50/04/836905004.db2.gz DQRBNTCQJZUAMX-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001105973848 836905620 /nfs/dbraw/zinc/90/56/20/836905620.db2.gz DQRBNTCQJZUAMX-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001105973848 836905611 /nfs/dbraw/zinc/90/56/11/836905611.db2.gz DQRBNTCQJZUAMX-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001105973855 836904919 /nfs/dbraw/zinc/90/49/19/836904919.db2.gz DYXNYAAJJFPTEI-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001105973855 836904914 /nfs/dbraw/zinc/90/49/14/836904914.db2.gz DYXNYAAJJFPTEI-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001105973856 836905763 /nfs/dbraw/zinc/90/57/63/836905763.db2.gz DYXNYAAJJFPTEI-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001105973856 836905757 /nfs/dbraw/zinc/90/57/57/836905757.db2.gz DYXNYAAJJFPTEI-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973877 836905337 /nfs/dbraw/zinc/90/53/37/836905337.db2.gz FSIPVHCWFSCJGF-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973877 836905324 /nfs/dbraw/zinc/90/53/24/836905324.db2.gz FSIPVHCWFSCJGF-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973878 836905040 /nfs/dbraw/zinc/90/50/40/836905040.db2.gz FSIPVHCWFSCJGF-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973878 836905033 /nfs/dbraw/zinc/90/50/33/836905033.db2.gz FSIPVHCWFSCJGF-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001105974187 836905111 /nfs/dbraw/zinc/90/51/11/836905111.db2.gz QBQPTCSTPXEDSY-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001105974187 836905103 /nfs/dbraw/zinc/90/51/03/836905103.db2.gz QBQPTCSTPXEDSY-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001105974188 836905136 /nfs/dbraw/zinc/90/51/36/836905136.db2.gz QBQPTCSTPXEDSY-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001105974188 836905125 /nfs/dbraw/zinc/90/51/25/836905125.db2.gz QBQPTCSTPXEDSY-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974196 836904843 /nfs/dbraw/zinc/90/48/43/836904843.db2.gz QGPVYLAARKPCFU-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974196 836904835 /nfs/dbraw/zinc/90/48/35/836904835.db2.gz QGPVYLAARKPCFU-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974197 836905063 /nfs/dbraw/zinc/90/50/63/836905063.db2.gz QGPVYLAARKPCFU-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974197 836905057 /nfs/dbraw/zinc/90/50/57/836905057.db2.gz QGPVYLAARKPCFU-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974333 836904966 /nfs/dbraw/zinc/90/49/66/836904966.db2.gz VHUBBSHCARCVJL-BZUAXINKSA-N 2 1 354.495 -0.227 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974333 836904961 /nfs/dbraw/zinc/90/49/61/836904961.db2.gz VHUBBSHCARCVJL-BZUAXINKSA-N 2 1 354.495 -0.227 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974334 836904887 /nfs/dbraw/zinc/90/48/87/836904887.db2.gz VHUBBSHCARCVJL-OAGGEKHMSA-N 2 1 354.495 -0.227 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974334 836904882 /nfs/dbraw/zinc/90/48/82/836904882.db2.gz VHUBBSHCARCVJL-OAGGEKHMSA-N 2 1 354.495 -0.227 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001105974482 836905251 /nfs/dbraw/zinc/90/52/51/836905251.db2.gz XDNSAZNPDDJHQM-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001105974482 836905242 /nfs/dbraw/zinc/90/52/42/836905242.db2.gz XDNSAZNPDDJHQM-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001105974485 836906457 /nfs/dbraw/zinc/90/64/57/836906457.db2.gz XDNSAZNPDDJHQM-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001105974485 836906449 /nfs/dbraw/zinc/90/64/49/836906449.db2.gz XDNSAZNPDDJHQM-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001105974503 836906264 /nfs/dbraw/zinc/90/62/64/836906264.db2.gz XUZDUGYDMIUKJX-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001105974503 836906257 /nfs/dbraw/zinc/90/62/57/836906257.db2.gz XUZDUGYDMIUKJX-FMKPAKJESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001105974504 836906672 /nfs/dbraw/zinc/90/66/72/836906672.db2.gz XUZDUGYDMIUKJX-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001105974504 836906664 /nfs/dbraw/zinc/90/66/64/836906664.db2.gz XUZDUGYDMIUKJX-IIAWOOMASA-N 2 1 352.479 -0.378 20 0 FBADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974522 836906693 /nfs/dbraw/zinc/90/66/93/836906693.db2.gz ZFKNCJVZYUXFFQ-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974522 836906687 /nfs/dbraw/zinc/90/66/87/836906687.db2.gz ZFKNCJVZYUXFFQ-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974523 836906089 /nfs/dbraw/zinc/90/60/89/836906089.db2.gz ZFKNCJVZYUXFFQ-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974523 836906082 /nfs/dbraw/zinc/90/60/82/836906082.db2.gz ZFKNCJVZYUXFFQ-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001105974537 836906514 /nfs/dbraw/zinc/90/65/14/836906514.db2.gz ZLGKYTFADMPHHM-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001105974537 836906507 /nfs/dbraw/zinc/90/65/07/836906507.db2.gz ZLGKYTFADMPHHM-BMFZPTHFSA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001105974538 836906571 /nfs/dbraw/zinc/90/65/71/836906571.db2.gz ZLGKYTFADMPHHM-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001105974538 836906561 /nfs/dbraw/zinc/90/65/61/836906561.db2.gz ZLGKYTFADMPHHM-FVQBIDKESA-N 2 1 352.479 -0.473 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001105977880 836906773 /nfs/dbraw/zinc/90/67/73/836906773.db2.gz CLIIJDPDDLAIKU-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001105977880 836906764 /nfs/dbraw/zinc/90/67/64/836906764.db2.gz CLIIJDPDDLAIKU-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001105977881 836906653 /nfs/dbraw/zinc/90/66/53/836906653.db2.gz CLIIJDPDDLAIKU-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001105977881 836906648 /nfs/dbraw/zinc/90/66/48/836906648.db2.gz CLIIJDPDDLAIKU-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106112020 836966800 /nfs/dbraw/zinc/96/68/00/836966800.db2.gz VQMZTBBDVFIZRX-MCIONIFRSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106112021 836966935 /nfs/dbraw/zinc/96/69/35/836966935.db2.gz VQMZTBBDVFIZRX-MGPQQGTHSA-N 2 1 353.467 -0.262 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148013 837020578 /nfs/dbraw/zinc/02/05/78/837020578.db2.gz BQKGECQPKQCJAE-AAVRWANBSA-N 2 1 353.467 -0.534 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149325 837020832 /nfs/dbraw/zinc/02/08/32/837020832.db2.gz GCJDXURNHHNKBO-KLHDSHLOSA-N 2 1 374.551 -0.098 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149394 837021187 /nfs/dbraw/zinc/02/11/87/837021187.db2.gz IGQHPKPQJDRIIE-KLHDSHLOSA-N 2 1 374.551 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149774 837020980 /nfs/dbraw/zinc/02/09/80/837020980.db2.gz REAILJWFDZTSKW-KBUPBQIOSA-N 2 1 360.524 -0.440 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106150889 837021042 /nfs/dbraw/zinc/02/10/42/837021042.db2.gz GCLAZFIOCZALIM-YIYPIFLZSA-N 2 1 353.467 -0.404 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106152439 837021807 /nfs/dbraw/zinc/02/18/07/837021807.db2.gz UYEOKPXKMWDEHH-LVQVYYBASA-N 2 1 374.551 -0.050 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106211000 837045314 /nfs/dbraw/zinc/04/53/14/837045314.db2.gz LXPLLNVFNWGBGY-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106211001 837045464 /nfs/dbraw/zinc/04/54/64/837045464.db2.gz LXPLLNVFNWGBGY-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246720 837050746 /nfs/dbraw/zinc/05/07/46/837050746.db2.gz PXXOIMNCHPGMHA-FMKPAKJESA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246721 837050900 /nfs/dbraw/zinc/05/09/00/837050900.db2.gz PXXOIMNCHPGMHA-IIAWOOMASA-N 2 1 352.479 -0.201 20 0 FBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106247032 837050959 /nfs/dbraw/zinc/05/09/59/837050959.db2.gz UPQWRFRBXVYRCJ-KFWWJZLASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106247041 837051054 /nfs/dbraw/zinc/05/10/54/837051054.db2.gz UPQWRFRBXVYRCJ-RBSFLKMASA-N 2 1 350.467 -0.757 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255580 837051575 /nfs/dbraw/zinc/05/15/75/837051575.db2.gz YPRZHRRLEZJCOP-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255775 837051618 /nfs/dbraw/zinc/05/16/18/837051618.db2.gz IOBPGWIVMNZBRK-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255776 837052094 /nfs/dbraw/zinc/05/20/94/837052094.db2.gz IOBPGWIVMNZBRK-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106256107 837051950 /nfs/dbraw/zinc/05/19/50/837051950.db2.gz YJZUMCJFJHDSAT-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106271798 837054946 /nfs/dbraw/zinc/05/49/46/837054946.db2.gz LYRAXSXRGQESIR-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106271800 837055384 /nfs/dbraw/zinc/05/53/84/837055384.db2.gz LYRAXSXRGQESIR-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309718 837063242 /nfs/dbraw/zinc/06/32/42/837063242.db2.gz DIKUPLZDURQEBX-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309718 837063230 /nfs/dbraw/zinc/06/32/30/837063230.db2.gz DIKUPLZDURQEBX-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309891 837062747 /nfs/dbraw/zinc/06/27/47/837062747.db2.gz GOVKELVCYLIMGX-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309891 837062739 /nfs/dbraw/zinc/06/27/39/837062739.db2.gz GOVKELVCYLIMGX-KLHDSHLOSA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106310101 837063198 /nfs/dbraw/zinc/06/31/98/837063198.db2.gz KRCJPAYTBWFUEE-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106310101 837063187 /nfs/dbraw/zinc/06/31/87/837063187.db2.gz KRCJPAYTBWFUEE-IXYNUQLISA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106310545 837063286 /nfs/dbraw/zinc/06/32/86/837063286.db2.gz SIKQQGFDXXLKOQ-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106310545 837063278 /nfs/dbraw/zinc/06/32/78/837063278.db2.gz SIKQQGFDXXLKOQ-KLHDSHLOSA-N 2 1 352.479 -0.378 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310573 837063336 /nfs/dbraw/zinc/06/33/36/837063336.db2.gz SOTPNPLPWLVATH-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310573 837063326 /nfs/dbraw/zinc/06/33/26/837063326.db2.gz SOTPNPLPWLVATH-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106310586 837062908 /nfs/dbraw/zinc/06/29/08/837062908.db2.gz UAWDBWAEILAHNW-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106310586 837062899 /nfs/dbraw/zinc/06/28/99/837062899.db2.gz UAWDBWAEILAHNW-KLHDSHLOSA-N 2 1 350.467 -0.319 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106310795 837063412 /nfs/dbraw/zinc/06/34/12/837063412.db2.gz YYLHURBGKSKOCQ-KBUPBQIOSA-N 2 1 361.508 -0.566 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106310795 837063405 /nfs/dbraw/zinc/06/34/05/837063405.db2.gz YYLHURBGKSKOCQ-KBUPBQIOSA-N 2 1 361.508 -0.566 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322104 837064282 /nfs/dbraw/zinc/06/42/82/837064282.db2.gz JTNLNXYALPNFMO-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322105 837064099 /nfs/dbraw/zinc/06/40/99/837064099.db2.gz JTNLNXYALPNFMO-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106322690 837062972 /nfs/dbraw/zinc/06/29/72/837062972.db2.gz QRIQJOOWBCQXOJ-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106322691 837063524 /nfs/dbraw/zinc/06/35/24/837063524.db2.gz QRIQJOOWBCQXOJ-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336365 837065876 /nfs/dbraw/zinc/06/58/76/837065876.db2.gz KILDGWHYOSDABH-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336366 837066009 /nfs/dbraw/zinc/06/60/09/837066009.db2.gz KILDGWHYOSDABH-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106336556 837066281 /nfs/dbraw/zinc/06/62/81/837066281.db2.gz UCIUWHDEXOGTIO-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106340413 837065795 /nfs/dbraw/zinc/06/57/95/837065795.db2.gz WVSKJQQFCBQHPQ-CHWSQXEVSA-N 2 1 355.483 -0.144 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106431368 837073349 /nfs/dbraw/zinc/07/33/49/837073349.db2.gz DZOSRRHDGBXPJT-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431687 837073484 /nfs/dbraw/zinc/07/34/84/837073484.db2.gz JTVRHMLAXPSBLS-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106433149 837073387 /nfs/dbraw/zinc/07/33/87/837073387.db2.gz CIDVICMEUIJAFO-KGYLQXTDSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106433150 837073275 /nfs/dbraw/zinc/07/32/75/837073275.db2.gz CIDVICMEUIJAFO-RAIGVLPGSA-N 2 1 350.423 -0.541 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433655 837073621 /nfs/dbraw/zinc/07/36/21/837073621.db2.gz NYRMGMXVENITKF-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106433671 837073913 /nfs/dbraw/zinc/07/39/13/837073913.db2.gz PGUHLCWBAPLHFU-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455261 837074849 /nfs/dbraw/zinc/07/48/49/837074849.db2.gz JBZNMDOMGDIWFC-ILLDSPSKSA-N 2 1 350.463 -0.720 20 0 FBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455262 837074600 /nfs/dbraw/zinc/07/46/00/837074600.db2.gz JBZNMDOMGDIWFC-PGJZFTLKSA-N 2 1 350.463 -0.720 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577293 837085172 /nfs/dbraw/zinc/08/51/72/837085172.db2.gz GRPNVDDHCNSOJP-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577293 837085162 /nfs/dbraw/zinc/08/51/62/837085162.db2.gz GRPNVDDHCNSOJP-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577295 837084962 /nfs/dbraw/zinc/08/49/62/837084962.db2.gz GRPNVDDHCNSOJP-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577295 837084955 /nfs/dbraw/zinc/08/49/55/837084955.db2.gz GRPNVDDHCNSOJP-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106577391 837084724 /nfs/dbraw/zinc/08/47/24/837084724.db2.gz IUMLLBGBSLCGOM-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106577391 837084717 /nfs/dbraw/zinc/08/47/17/837084717.db2.gz IUMLLBGBSLCGOM-BZUAXINKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106577392 837085079 /nfs/dbraw/zinc/08/50/79/837085079.db2.gz IUMLLBGBSLCGOM-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106577392 837085067 /nfs/dbraw/zinc/08/50/67/837085067.db2.gz IUMLLBGBSLCGOM-OAGGEKHMSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106578087 837085272 /nfs/dbraw/zinc/08/52/72/837085272.db2.gz ZQWPHSOMOTVENL-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106578087 837085265 /nfs/dbraw/zinc/08/52/65/837085265.db2.gz ZQWPHSOMOTVENL-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106578088 837084773 /nfs/dbraw/zinc/08/47/73/837084773.db2.gz ZQWPHSOMOTVENL-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106578088 837084762 /nfs/dbraw/zinc/08/47/62/837084762.db2.gz ZQWPHSOMOTVENL-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106581739 837084571 /nfs/dbraw/zinc/08/45/71/837084571.db2.gz MIBJYPANUZGFSO-ZOBORPQBSA-N 2 1 353.467 -0.404 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665341 837092712 /nfs/dbraw/zinc/09/27/12/837092712.db2.gz TVSDYYAFILNKAR-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665342 837092211 /nfs/dbraw/zinc/09/22/11/837092211.db2.gz TVSDYYAFILNKAR-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106665487 837092131 /nfs/dbraw/zinc/09/21/31/837092131.db2.gz YVBIJFLVPJQNCA-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106665488 837092047 /nfs/dbraw/zinc/09/20/47/837092047.db2.gz YVBIJFLVPJQNCA-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666480 837092636 /nfs/dbraw/zinc/09/26/36/837092636.db2.gz MBUUOEIHJHUWST-BFHYXJOUSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666481 837092287 /nfs/dbraw/zinc/09/22/87/837092287.db2.gz MBUUOEIHJHUWST-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666916 837091994 /nfs/dbraw/zinc/09/19/94/837091994.db2.gz ZSRMSBWTJAYUQT-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666917 837092328 /nfs/dbraw/zinc/09/23/28/837092328.db2.gz ZSRMSBWTJAYUQT-RRFJBIMHSA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106668854 837092573 /nfs/dbraw/zinc/09/25/73/837092573.db2.gz QRMRVXFLZLYSMY-CHWSQXEVSA-N 2 1 353.467 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106672596 837093667 /nfs/dbraw/zinc/09/36/67/837093667.db2.gz FXZCAWOZXPXVRO-CHWSQXEVSA-N 2 1 355.483 -0.157 20 0 FBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765885 837111698 /nfs/dbraw/zinc/11/16/98/837111698.db2.gz YAEBKWVBYLQKQP-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106766211 837111658 /nfs/dbraw/zinc/11/16/58/837111658.db2.gz DHENWPMYHHCQMO-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766221 837112120 /nfs/dbraw/zinc/11/21/20/837112120.db2.gz DQOVVZPXTYLRJV-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106766229 837111957 /nfs/dbraw/zinc/11/19/57/837111957.db2.gz DVWFROFJHVCXPA-HZPDHXFCSA-N 2 1 352.479 -0.375 20 0 FBADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766241 837112134 /nfs/dbraw/zinc/11/21/34/837112134.db2.gz FVMADLKJYFWTCV-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766444 837112054 /nfs/dbraw/zinc/11/20/54/837112054.db2.gz JWLVIGREKMUVGK-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106766865 837112291 /nfs/dbraw/zinc/11/22/91/837112291.db2.gz VEWAKPYPBUFCGU-HUUCEWRRSA-N 2 1 361.508 -0.563 20 0 FBADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001106767568 837112361 /nfs/dbraw/zinc/11/23/61/837112361.db2.gz INQMURDPCGRFJS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001106767569 837111728 /nfs/dbraw/zinc/11/17/28/837111728.db2.gz INQMURDPCGRFJS-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106767882 837111567 /nfs/dbraw/zinc/11/15/67/837111567.db2.gz YGWDXSURSRDRKL-HZPDHXFCSA-N 2 1 350.467 -0.316 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106839661 837124080 /nfs/dbraw/zinc/12/40/80/837124080.db2.gz NBIKOJOWLSTSLX-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106839662 837124091 /nfs/dbraw/zinc/12/40/91/837124091.db2.gz NBIKOJOWLSTSLX-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106839793 837125217 /nfs/dbraw/zinc/12/52/17/837125217.db2.gz OHZSWGXZNWQPKH-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106840051 837125495 /nfs/dbraw/zinc/12/54/95/837125495.db2.gz WCUBKMZXVABHLG-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106840200 837125585 /nfs/dbraw/zinc/12/55/85/837125585.db2.gz CWTLVYNCDLUTLP-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840373 837125239 /nfs/dbraw/zinc/12/52/39/837125239.db2.gz KIGRRKICDGLJEC-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106840686 837124169 /nfs/dbraw/zinc/12/41/69/837124169.db2.gz ZWQKYJAWAFOQHY-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874599 837131823 /nfs/dbraw/zinc/13/18/23/837131823.db2.gz LZGBKXFWYXUBLX-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874600 837132468 /nfs/dbraw/zinc/13/24/68/837132468.db2.gz LZGBKXFWYXUBLX-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106874711 837132167 /nfs/dbraw/zinc/13/21/67/837132167.db2.gz QLRZEDHSEBDMOC-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106874712 837132276 /nfs/dbraw/zinc/13/22/76/837132276.db2.gz QLRZEDHSEBDMOC-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106905356 837162830 /nfs/dbraw/zinc/16/28/30/837162830.db2.gz LMWMXLGIMHMXEU-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106905426 837162790 /nfs/dbraw/zinc/16/27/90/837162790.db2.gz OZJREGZPVKPLCY-ZIAGYGMSSA-N 2 1 355.483 -0.142 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106907448 837165886 /nfs/dbraw/zinc/16/58/86/837165886.db2.gz LTZVSUXJNJUMBQ-HZSPNIEDSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106907449 837166441 /nfs/dbraw/zinc/16/64/41/837166441.db2.gz LTZVSUXJNJUMBQ-MGPQQGTHSA-N 2 1 355.483 -0.014 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907909 837168674 /nfs/dbraw/zinc/16/86/74/837168674.db2.gz ICAWLIDUYMIOLM-HZSPNIEDSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907910 837168542 /nfs/dbraw/zinc/16/85/42/837168542.db2.gz ICAWLIDUYMIOLM-MGPQQGTHSA-N 2 1 355.483 -0.144 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106910501 837169752 /nfs/dbraw/zinc/16/97/52/837169752.db2.gz ARWZMYYHUGGRAK-HUUCEWRRSA-N 2 1 362.540 -0.048 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106910639 837169777 /nfs/dbraw/zinc/16/97/77/837169777.db2.gz HPVCISJPMFZVQU-HUUCEWRRSA-N 2 1 362.540 -0.096 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106910654 837170037 /nfs/dbraw/zinc/17/00/37/837170037.db2.gz IIHOWQSJCYVQDP-ZIAGYGMSSA-N 2 1 353.467 -0.436 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106927490 837190934 /nfs/dbraw/zinc/19/09/34/837190934.db2.gz RKRXLCPOGODBOH-XNJGSVPQSA-N 2 1 351.451 -0.649 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981069 837204133 /nfs/dbraw/zinc/20/41/33/837204133.db2.gz FPZSDISYJOPOAY-HZSPNIEDSA-N 2 1 353.467 -0.532 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981071 837204762 /nfs/dbraw/zinc/20/47/62/837204762.db2.gz FPZSDISYJOPOAY-MGPQQGTHSA-N 2 1 353.467 -0.532 20 0 FBADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981278 837204015 /nfs/dbraw/zinc/20/40/15/837204015.db2.gz HYZKMGOIJHWPDN-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981279 837203989 /nfs/dbraw/zinc/20/39/89/837203989.db2.gz HYZKMGOIJHWPDN-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106981304 837204114 /nfs/dbraw/zinc/20/41/14/837204114.db2.gz IPPPYWBPZBVLMC-HZSPNIEDSA-N 2 1 351.451 -0.826 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106981305 837204779 /nfs/dbraw/zinc/20/47/79/837204779.db2.gz IPPPYWBPZBVLMC-MGPQQGTHSA-N 2 1 351.451 -0.826 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981439 837204416 /nfs/dbraw/zinc/20/44/16/837204416.db2.gz NZHQPZMBUXYVSZ-QLFBSQMISA-N 2 1 360.524 -0.439 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981440 837204348 /nfs/dbraw/zinc/20/43/48/837204348.db2.gz NZHQPZMBUXYVSZ-RBSFLKMASA-N 2 1 360.524 -0.439 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106981474 837204152 /nfs/dbraw/zinc/20/41/52/837204152.db2.gz PRMNUKSGJXTKCQ-QLFBSQMISA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106981475 837203878 /nfs/dbraw/zinc/20/38/78/837203878.db2.gz PRMNUKSGJXTKCQ-RBSFLKMASA-N 2 1 350.463 -0.229 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106981566 837204475 /nfs/dbraw/zinc/20/44/75/837204475.db2.gz VAMGJAGPDVLLIO-QLFBSQMISA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106981567 837204693 /nfs/dbraw/zinc/20/46/93/837204693.db2.gz VAMGJAGPDVLLIO-RBSFLKMASA-N 2 1 360.524 -0.486 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106981596 837204222 /nfs/dbraw/zinc/20/42/22/837204222.db2.gz WJIHJMGYZNCIEP-BZUAXINKSA-N 2 1 352.479 -0.519 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106981597 837204588 /nfs/dbraw/zinc/20/45/88/837204588.db2.gz WJIHJMGYZNCIEP-OWCLPIDISA-N 2 1 352.479 -0.519 20 0 FBADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981691 837204510 /nfs/dbraw/zinc/20/45/10/837204510.db2.gz ZIDSNGNIKQNKPE-DJIMGWMZSA-N 2 1 354.495 -0.225 20 0 FBADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981692 837203945 /nfs/dbraw/zinc/20/39/45/837203945.db2.gz ZIDSNGNIKQNKPE-HYVNUMGLSA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106982055 837204280 /nfs/dbraw/zinc/20/42/80/837204280.db2.gz CEJRVWCXVKVSBG-BZUAXINKSA-N 2 1 354.495 -0.225 20 0 FBADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106982057 837204076 /nfs/dbraw/zinc/20/40/76/837204076.db2.gz CEJRVWCXVKVSBG-OWCLPIDISA-N 2 1 354.495 -0.225 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106986028 837205602 /nfs/dbraw/zinc/20/56/02/837205602.db2.gz DETCIJMQMJPBAB-TZMCWYRMSA-N 2 1 357.480 -0.575 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986242 837205887 /nfs/dbraw/zinc/20/58/87/837205887.db2.gz HDCGGVZNVKQOPG-DGCLKSJQSA-N 2 1 350.423 -0.669 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986454 837205242 /nfs/dbraw/zinc/20/52/42/837205242.db2.gz PVXOFNCTQHZBHZ-UKRRQHHQSA-N 2 1 371.507 -0.185 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106986646 837205433 /nfs/dbraw/zinc/20/54/33/837205433.db2.gz YTCYYVAWWVRHCQ-UKRRQHHQSA-N 2 1 371.507 -0.233 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106986776 837205133 /nfs/dbraw/zinc/20/51/33/837205133.db2.gz FIVJVXAVIUJYEA-NQBHXWOUSA-N 2 1 350.423 -0.541 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106986777 837205833 /nfs/dbraw/zinc/20/58/33/837205833.db2.gz FIVJVXAVIUJYEA-NTZNESFSSA-N 2 1 350.423 -0.541 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107008896 837215350 /nfs/dbraw/zinc/21/53/50/837215350.db2.gz BKUBAWMXXFBGEA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107008896 837215343 /nfs/dbraw/zinc/21/53/43/837215343.db2.gz BKUBAWMXXFBGEA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107008897 837214533 /nfs/dbraw/zinc/21/45/33/837214533.db2.gz BKUBAWMXXFBGEA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107008897 837214523 /nfs/dbraw/zinc/21/45/23/837214523.db2.gz BKUBAWMXXFBGEA-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009037 837215369 /nfs/dbraw/zinc/21/53/69/837215369.db2.gz ISVJWYJQURPSKC-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009037 837215362 /nfs/dbraw/zinc/21/53/62/837215362.db2.gz ISVJWYJQURPSKC-KFWWJZLASA-N 2 1 361.508 -0.564 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009038 837215101 /nfs/dbraw/zinc/21/51/01/837215101.db2.gz ISVJWYJQURPSKC-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009038 837215091 /nfs/dbraw/zinc/21/50/91/837215091.db2.gz ISVJWYJQURPSKC-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009164 837215220 /nfs/dbraw/zinc/21/52/20/837215220.db2.gz MTLRVSJODZIJDF-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009164 837215215 /nfs/dbraw/zinc/21/52/15/837215215.db2.gz MTLRVSJODZIJDF-BZUAXINKSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009167 837214474 /nfs/dbraw/zinc/21/44/74/837214474.db2.gz MTLRVSJODZIJDF-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009167 837214464 /nfs/dbraw/zinc/21/44/64/837214464.db2.gz MTLRVSJODZIJDF-OAGGEKHMSA-N 2 1 352.479 -0.377 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009426 837215386 /nfs/dbraw/zinc/21/53/86/837215386.db2.gz RUWYAJVKQYJUGG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009426 837215380 /nfs/dbraw/zinc/21/53/80/837215380.db2.gz RUWYAJVKQYJUGG-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009429 837215287 /nfs/dbraw/zinc/21/52/87/837215287.db2.gz RUWYAJVKQYJUGG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009429 837215279 /nfs/dbraw/zinc/21/52/79/837215279.db2.gz RUWYAJVKQYJUGG-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009538 837215125 /nfs/dbraw/zinc/21/51/25/837215125.db2.gz URLXGUWEPNILDT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009538 837215114 /nfs/dbraw/zinc/21/51/14/837215114.db2.gz URLXGUWEPNILDT-FMKPAKJESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009539 837215164 /nfs/dbraw/zinc/21/51/64/837215164.db2.gz URLXGUWEPNILDT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009539 837215154 /nfs/dbraw/zinc/21/51/54/837215154.db2.gz URLXGUWEPNILDT-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009595 837215401 /nfs/dbraw/zinc/21/54/01/837215401.db2.gz VLQWCVZJHUWUGV-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009595 837215394 /nfs/dbraw/zinc/21/53/94/837215394.db2.gz VLQWCVZJHUWUGV-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009600 837214778 /nfs/dbraw/zinc/21/47/78/837214778.db2.gz VLQWCVZJHUWUGV-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009600 837214770 /nfs/dbraw/zinc/21/47/70/837214770.db2.gz VLQWCVZJHUWUGV-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001107012412 837216064 /nfs/dbraw/zinc/21/60/64/837216064.db2.gz RSGHDFYBXYQOFK-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001107012412 837216058 /nfs/dbraw/zinc/21/60/58/837216058.db2.gz RSGHDFYBXYQOFK-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001107012413 837215647 /nfs/dbraw/zinc/21/56/47/837215647.db2.gz RSGHDFYBXYQOFK-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001107012413 837215635 /nfs/dbraw/zinc/21/56/35/837215635.db2.gz RSGHDFYBXYQOFK-OAGGEKHMSA-N 2 1 350.467 -0.317 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036668 837219210 /nfs/dbraw/zinc/21/92/10/837219210.db2.gz OWKZYXSLAVWPAJ-MCIONIFRSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036669 837219173 /nfs/dbraw/zinc/21/91/73/837219173.db2.gz OWKZYXSLAVWPAJ-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039228 837218935 /nfs/dbraw/zinc/21/89/35/837218935.db2.gz NPAAQRKNBMVJBQ-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001107039428 837220515 /nfs/dbraw/zinc/22/05/15/837220515.db2.gz RIGAFJJTLFPOAI-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001107040841 837219406 /nfs/dbraw/zinc/21/94/06/837219406.db2.gz PQLXRTOUVJRTGE-HUUCEWRRSA-N 2 1 362.540 -0.098 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042277 837219305 /nfs/dbraw/zinc/21/93/05/837219305.db2.gz FAIXQKHFWBGGDG-HZSPNIEDSA-N 2 1 355.483 -0.145 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042278 837218582 /nfs/dbraw/zinc/21/85/82/837218582.db2.gz FAIXQKHFWBGGDG-MGPQQGTHSA-N 2 1 355.483 -0.145 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001107042367 837218843 /nfs/dbraw/zinc/21/88/43/837218843.db2.gz JSYLMKSKROHPGI-ZIAGYGMSSA-N 2 1 353.467 -0.438 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042400 837218966 /nfs/dbraw/zinc/21/89/66/837218966.db2.gz KVAAVXXHWLOSJV-HUUCEWRRSA-N 2 1 362.540 -0.050 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107329259 837233963 /nfs/dbraw/zinc/23/39/63/837233963.db2.gz NTFYNTLMWGJCJK-OGHNNQOOSA-N 2 1 351.451 -0.364 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107329259 837233954 /nfs/dbraw/zinc/23/39/54/837233954.db2.gz NTFYNTLMWGJCJK-OGHNNQOOSA-N 2 1 351.451 -0.364 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107329259 837233945 /nfs/dbraw/zinc/23/39/45/837233945.db2.gz NTFYNTLMWGJCJK-OGHNNQOOSA-N 2 1 351.451 -0.364 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107329260 837234161 /nfs/dbraw/zinc/23/41/61/837234161.db2.gz NTFYNTLMWGJCJK-PBFPGSCMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107329260 837234154 /nfs/dbraw/zinc/23/41/54/837234154.db2.gz NTFYNTLMWGJCJK-PBFPGSCMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107329260 837234148 /nfs/dbraw/zinc/23/41/48/837234148.db2.gz NTFYNTLMWGJCJK-PBFPGSCMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107343052 837234414 /nfs/dbraw/zinc/23/44/14/837234414.db2.gz JDBYLPPBTRMBMG-JFIYKMOQSA-N 2 1 355.479 -0.313 20 0 FBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107343052 837234403 /nfs/dbraw/zinc/23/44/03/837234403.db2.gz JDBYLPPBTRMBMG-JFIYKMOQSA-N 2 1 355.479 -0.313 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107343052 837234397 /nfs/dbraw/zinc/23/43/97/837234397.db2.gz JDBYLPPBTRMBMG-JFIYKMOQSA-N 2 1 355.479 -0.313 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107343052 837234393 /nfs/dbraw/zinc/23/43/93/837234393.db2.gz JDBYLPPBTRMBMG-JFIYKMOQSA-N 2 1 355.479 -0.313 20 0 FBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107343053 837233746 /nfs/dbraw/zinc/23/37/46/837233746.db2.gz JDBYLPPBTRMBMG-LZLYRXPVSA-N 2 1 355.479 -0.313 20 0 FBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107343053 837233735 /nfs/dbraw/zinc/23/37/35/837233735.db2.gz JDBYLPPBTRMBMG-LZLYRXPVSA-N 2 1 355.479 -0.313 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107343053 837233722 /nfs/dbraw/zinc/23/37/22/837233722.db2.gz JDBYLPPBTRMBMG-LZLYRXPVSA-N 2 1 355.479 -0.313 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107343053 837233712 /nfs/dbraw/zinc/23/37/12/837233712.db2.gz JDBYLPPBTRMBMG-LZLYRXPVSA-N 2 1 355.479 -0.313 20 0 FBADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343282 837233598 /nfs/dbraw/zinc/23/35/98/837233598.db2.gz UVUNWXPFVXRIBP-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343282 837233590 /nfs/dbraw/zinc/23/35/90/837233590.db2.gz UVUNWXPFVXRIBP-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343282 837233579 /nfs/dbraw/zinc/23/35/79/837233579.db2.gz UVUNWXPFVXRIBP-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343282 837233570 /nfs/dbraw/zinc/23/35/70/837233570.db2.gz UVUNWXPFVXRIBP-HDMKZQKVSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343283 837233446 /nfs/dbraw/zinc/23/34/46/837233446.db2.gz UVUNWXPFVXRIBP-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343283 837233438 /nfs/dbraw/zinc/23/34/38/837233438.db2.gz UVUNWXPFVXRIBP-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343283 837233430 /nfs/dbraw/zinc/23/34/30/837233430.db2.gz UVUNWXPFVXRIBP-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343283 837233419 /nfs/dbraw/zinc/23/34/19/837233419.db2.gz UVUNWXPFVXRIBP-IIDMSEBBSA-N 2 1 352.479 -0.186 20 0 FBADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107451164 837242764 /nfs/dbraw/zinc/24/27/64/837242764.db2.gz QBUXEEWEEUPTAY-PBFPGSCMSA-N 2 1 353.467 -0.118 20 0 FBADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107522856 837250693 /nfs/dbraw/zinc/25/06/93/837250693.db2.gz XXCPUSMIQIEDMQ-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530634 837252451 /nfs/dbraw/zinc/25/24/51/837252451.db2.gz DKGFIXLVQGHWPD-CXAGYDPISA-N 2 1 353.467 -0.246 20 0 FBADMP Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)nc1=O ZINC001107530856 837253053 /nfs/dbraw/zinc/25/30/53/837253053.db2.gz PEYCZIAJRABJJR-CXAGYDPISA-N 2 1 350.467 -0.079 20 0 FBADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNS(C)(=O)=O)CC2 ZINC001107533733 837253648 /nfs/dbraw/zinc/25/36/48/837253648.db2.gz CLOBZDOSROAXML-GDBMZVCRSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107553775 837254199 /nfs/dbraw/zinc/25/41/99/837254199.db2.gz QBUXEEWEEUPTAY-OGHNNQOOSA-N 2 1 353.467 -0.118 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579203 837259905 /nfs/dbraw/zinc/25/99/05/837259905.db2.gz XZPQIZVYRZWNRY-CRAIPNDOSA-N 2 1 352.479 -0.185 20 0 FBADMP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579203 837259894 /nfs/dbraw/zinc/25/98/94/837259894.db2.gz XZPQIZVYRZWNRY-CRAIPNDOSA-N 2 1 352.479 -0.185 20 0 FBADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107582672 837257927 /nfs/dbraw/zinc/25/79/27/837257927.db2.gz PCHPGRJKROQKNN-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP C[NH+]1CCC(OCC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)CC1 ZINC001107593708 837261475 /nfs/dbraw/zinc/26/14/75/837261475.db2.gz SSVMANPBLHIYJP-CRAIPNDOSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107598536 837263233 /nfs/dbraw/zinc/26/32/33/837263233.db2.gz HXPVTDZDTIYMBO-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107598536 837263226 /nfs/dbraw/zinc/26/32/26/837263226.db2.gz HXPVTDZDTIYMBO-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107598536 837263219 /nfs/dbraw/zinc/26/32/19/837263219.db2.gz HXPVTDZDTIYMBO-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609108 837264596 /nfs/dbraw/zinc/26/45/96/837264596.db2.gz CVIVNJLLAHEBMD-JFIYKMOQSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609109 837263833 /nfs/dbraw/zinc/26/38/33/837263833.db2.gz CVIVNJLLAHEBMD-LZLYRXPVSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107609432 837264580 /nfs/dbraw/zinc/26/45/80/837264580.db2.gz RTKHRYOMEQDRPO-SJLPKXTDSA-N 2 1 357.495 -0.066 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107614910 837266226 /nfs/dbraw/zinc/26/62/26/837266226.db2.gz NGAZAMJBQLKLRC-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107614910 837266220 /nfs/dbraw/zinc/26/62/20/837266220.db2.gz NGAZAMJBQLKLRC-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107614910 837266212 /nfs/dbraw/zinc/26/62/12/837266212.db2.gz NGAZAMJBQLKLRC-CXAGYDPISA-N 2 1 353.467 -0.116 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631906 837265546 /nfs/dbraw/zinc/26/55/46/837265546.db2.gz GYRCWZDVJHHXQP-OGHNNQOOSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631906 837265542 /nfs/dbraw/zinc/26/55/42/837265542.db2.gz GYRCWZDVJHHXQP-OGHNNQOOSA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631906 837265538 /nfs/dbraw/zinc/26/55/38/837265538.db2.gz GYRCWZDVJHHXQP-OGHNNQOOSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631907 837265444 /nfs/dbraw/zinc/26/54/44/837265444.db2.gz GYRCWZDVJHHXQP-PBFPGSCMSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631907 837265437 /nfs/dbraw/zinc/26/54/37/837265437.db2.gz GYRCWZDVJHHXQP-PBFPGSCMSA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631907 837265430 /nfs/dbraw/zinc/26/54/30/837265430.db2.gz GYRCWZDVJHHXQP-PBFPGSCMSA-N 2 1 351.451 -0.506 20 0 FBADMP NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633487 837267574 /nfs/dbraw/zinc/26/75/74/837267574.db2.gz UVDNLIAXYKQSTJ-CXAGYDPISA-N 2 1 351.451 -0.362 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107633753 837267669 /nfs/dbraw/zinc/26/76/69/837267669.db2.gz BLUJCHXAGJEABW-HDMKZQKVSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107633757 837267254 /nfs/dbraw/zinc/26/72/54/837267254.db2.gz BLUJCHXAGJEABW-IIDMSEBBSA-N 2 1 352.479 -0.199 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107646542 837268741 /nfs/dbraw/zinc/26/87/41/837268741.db2.gz JQPSBYVLUQPURN-CXAGYDPISA-N 2 1 353.467 -0.118 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107646542 837268732 /nfs/dbraw/zinc/26/87/32/837268732.db2.gz JQPSBYVLUQPURN-CXAGYDPISA-N 2 1 353.467 -0.118 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107646542 837268720 /nfs/dbraw/zinc/26/87/20/837268720.db2.gz JQPSBYVLUQPURN-CXAGYDPISA-N 2 1 353.467 -0.118 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067561 839340418 /nfs/dbraw/zinc/34/04/18/839340418.db2.gz FMSMBJXBNDXUHI-LTIDMASMSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067561 839340408 /nfs/dbraw/zinc/34/04/08/839340408.db2.gz FMSMBJXBNDXUHI-LTIDMASMSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109067561 839340399 /nfs/dbraw/zinc/34/03/99/839340399.db2.gz FMSMBJXBNDXUHI-LTIDMASMSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067562 839340286 /nfs/dbraw/zinc/34/02/86/839340286.db2.gz FMSMBJXBNDXUHI-QZWWFDLISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067562 839340276 /nfs/dbraw/zinc/34/02/76/839340276.db2.gz FMSMBJXBNDXUHI-QZWWFDLISA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109067562 839340264 /nfs/dbraw/zinc/34/02/64/839340264.db2.gz FMSMBJXBNDXUHI-QZWWFDLISA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001109306497 839371019 /nfs/dbraw/zinc/37/10/19/839371019.db2.gz ZHNPAYNMCAOPGP-SUJAAXHWSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001109306497 839371008 /nfs/dbraw/zinc/37/10/08/839371008.db2.gz ZHNPAYNMCAOPGP-SUJAAXHWSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001109306497 839370995 /nfs/dbraw/zinc/37/09/95/839370995.db2.gz ZHNPAYNMCAOPGP-SUJAAXHWSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001109306497 839370982 /nfs/dbraw/zinc/37/09/82/839370982.db2.gz ZHNPAYNMCAOPGP-SUJAAXHWSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408077 839391204 /nfs/dbraw/zinc/39/12/04/839391204.db2.gz HPVMLCUEZVPOSY-GHYVTOPFSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408077 839391190 /nfs/dbraw/zinc/39/11/90/839391190.db2.gz HPVMLCUEZVPOSY-GHYVTOPFSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408077 839391174 /nfs/dbraw/zinc/39/11/74/839391174.db2.gz HPVMLCUEZVPOSY-GHYVTOPFSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408077 839391163 /nfs/dbraw/zinc/39/11/63/839391163.db2.gz HPVMLCUEZVPOSY-GHYVTOPFSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408078 839389683 /nfs/dbraw/zinc/38/96/83/839389683.db2.gz HPVMLCUEZVPOSY-ZZVYKPCYSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408078 839389670 /nfs/dbraw/zinc/38/96/70/839389670.db2.gz HPVMLCUEZVPOSY-ZZVYKPCYSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408078 839389660 /nfs/dbraw/zinc/38/96/60/839389660.db2.gz HPVMLCUEZVPOSY-ZZVYKPCYSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408078 839389647 /nfs/dbraw/zinc/38/96/47/839389647.db2.gz HPVMLCUEZVPOSY-ZZVYKPCYSA-N 2 1 351.451 -0.224 20 0 FBADMP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109442919 839397378 /nfs/dbraw/zinc/39/73/78/839397378.db2.gz MXTORFOZTZPETC-RBGFHDKUSA-N 2 1 352.479 -0.095 20 0 FBADMP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109442919 839397365 /nfs/dbraw/zinc/39/73/65/839397365.db2.gz MXTORFOZTZPETC-RBGFHDKUSA-N 2 1 352.479 -0.095 20 0 FBADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001109443889 839395983 /nfs/dbraw/zinc/39/59/83/839395983.db2.gz JWHQAFLTMSASEZ-RQJABVFESA-N 2 1 351.451 -0.400 20 0 FBADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001109443889 839395969 /nfs/dbraw/zinc/39/59/69/839395969.db2.gz JWHQAFLTMSASEZ-RQJABVFESA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109638987 839416370 /nfs/dbraw/zinc/41/63/70/839416370.db2.gz OIYYLLMUUAJSMY-LTIDMASMSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109638987 839416365 /nfs/dbraw/zinc/41/63/65/839416365.db2.gz OIYYLLMUUAJSMY-LTIDMASMSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109638987 839416358 /nfs/dbraw/zinc/41/63/58/839416358.db2.gz OIYYLLMUUAJSMY-LTIDMASMSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109638987 839416344 /nfs/dbraw/zinc/41/63/44/839416344.db2.gz OIYYLLMUUAJSMY-LTIDMASMSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109638988 839416817 /nfs/dbraw/zinc/41/68/17/839416817.db2.gz OIYYLLMUUAJSMY-QZWWFDLISA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109638988 839416805 /nfs/dbraw/zinc/41/68/05/839416805.db2.gz OIYYLLMUUAJSMY-QZWWFDLISA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109638988 839416794 /nfs/dbraw/zinc/41/67/94/839416794.db2.gz OIYYLLMUUAJSMY-QZWWFDLISA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109638988 839416784 /nfs/dbraw/zinc/41/67/84/839416784.db2.gz OIYYLLMUUAJSMY-QZWWFDLISA-N 2 1 355.479 -0.174 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)S(C)(=O)=O ZINC001109649842 839417989 /nfs/dbraw/zinc/41/79/89/839417989.db2.gz GZKWOKHZUJPAGX-ILXRZTDVSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)S(C)(=O)=O ZINC001109649842 839417981 /nfs/dbraw/zinc/41/79/81/839417981.db2.gz GZKWOKHZUJPAGX-ILXRZTDVSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109653042 839418740 /nfs/dbraw/zinc/41/87/40/839418740.db2.gz LKOHIDRHHAGMFP-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109653042 839418736 /nfs/dbraw/zinc/41/87/36/839418736.db2.gz LKOHIDRHHAGMFP-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)S(C)(=O)=O ZINC001109653921 839418570 /nfs/dbraw/zinc/41/85/70/839418570.db2.gz NLFIHHQMUFMSFS-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)S(C)(=O)=O ZINC001109653921 839418565 /nfs/dbraw/zinc/41/85/65/839418565.db2.gz NLFIHHQMUFMSFS-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109653981 839418162 /nfs/dbraw/zinc/41/81/62/839418162.db2.gz PVNDDMMRZDQMIG-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655479 839418017 /nfs/dbraw/zinc/41/80/17/839418017.db2.gz XZCAUTSDNYHMKB-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655479 839418010 /nfs/dbraw/zinc/41/80/10/839418010.db2.gz XZCAUTSDNYHMKB-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655480 839418521 /nfs/dbraw/zinc/41/85/21/839418521.db2.gz XZCAUTSDNYHMKB-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655480 839418515 /nfs/dbraw/zinc/41/85/15/839418515.db2.gz XZCAUTSDNYHMKB-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668912 839421861 /nfs/dbraw/zinc/42/18/61/839421861.db2.gz GZWIVKKEZSWVFF-GHYVTOPFSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668912 839421857 /nfs/dbraw/zinc/42/18/57/839421857.db2.gz GZWIVKKEZSWVFF-GHYVTOPFSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668913 839421693 /nfs/dbraw/zinc/42/16/93/839421693.db2.gz GZWIVKKEZSWVFF-ZZVYKPCYSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668913 839421688 /nfs/dbraw/zinc/42/16/88/839421688.db2.gz GZWIVKKEZSWVFF-ZZVYKPCYSA-N 2 1 351.451 -0.367 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669340 839421594 /nfs/dbraw/zinc/42/15/94/839421594.db2.gz YJGZIXKSILYLTB-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669340 839421591 /nfs/dbraw/zinc/42/15/91/839421591.db2.gz YJGZIXKSILYLTB-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669341 839421440 /nfs/dbraw/zinc/42/14/40/839421440.db2.gz YJGZIXKSILYLTB-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669341 839421431 /nfs/dbraw/zinc/42/14/31/839421431.db2.gz YJGZIXKSILYLTB-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)S(C)(=O)=O ZINC001109671740 839423631 /nfs/dbraw/zinc/42/36/31/839423631.db2.gz ZRSJPQPWTYGPDH-PMPSAXMXSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)S(C)(=O)=O ZINC001109671740 839423626 /nfs/dbraw/zinc/42/36/26/839423626.db2.gz ZRSJPQPWTYGPDH-PMPSAXMXSA-N 2 1 372.535 -0.059 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673309 839424159 /nfs/dbraw/zinc/42/41/59/839424159.db2.gz IALMEQGQLMBSBA-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001109673794 839423595 /nfs/dbraw/zinc/42/35/95/839423595.db2.gz QWOGYFUWEVUQCJ-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001109673796 839423945 /nfs/dbraw/zinc/42/39/45/839423945.db2.gz QWOGYFUWEVUQCJ-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001109674030 839423790 /nfs/dbraw/zinc/42/37/90/839423790.db2.gz YCHIKTKYVUMREN-ILXRZTDVSA-N 2 1 358.508 -0.305 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001109674030 839423785 /nfs/dbraw/zinc/42/37/85/839423785.db2.gz YCHIKTKYVUMREN-ILXRZTDVSA-N 2 1 358.508 -0.305 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109674064 839423904 /nfs/dbraw/zinc/42/39/04/839423904.db2.gz ZDLBTFUYMRYHHV-WCVJEAGWSA-N 2 1 352.479 -0.357 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674328 839422933 /nfs/dbraw/zinc/42/29/33/839422933.db2.gz BXACPXIUUABFGI-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001109674363 839423983 /nfs/dbraw/zinc/42/39/83/839423983.db2.gz DOGZFMHSLWSFEN-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001109674652 839424127 /nfs/dbraw/zinc/42/41/27/839424127.db2.gz XKOQBXKLDBTVJL-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001109674652 839424125 /nfs/dbraw/zinc/42/41/25/839424125.db2.gz XKOQBXKLDBTVJL-FZKCQIBNSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001109674653 839423331 /nfs/dbraw/zinc/42/33/31/839423331.db2.gz XKOQBXKLDBTVJL-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001109674653 839423321 /nfs/dbraw/zinc/42/33/21/839423321.db2.gz XKOQBXKLDBTVJL-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001109733239 839428135 /nfs/dbraw/zinc/42/81/35/839428135.db2.gz JWHQAFLTMSASEZ-RFGFWPKPSA-N 2 1 351.451 -0.400 20 0 FBADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001109733239 839428131 /nfs/dbraw/zinc/42/81/31/839428131.db2.gz JWHQAFLTMSASEZ-RFGFWPKPSA-N 2 1 351.451 -0.400 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)CC1 ZINC001109799194 839434418 /nfs/dbraw/zinc/43/44/18/839434418.db2.gz NFJCEZLHFYZREC-PMPSAXMXSA-N 2 1 372.535 -0.011 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)CC1 ZINC001109799194 839434413 /nfs/dbraw/zinc/43/44/13/839434413.db2.gz NFJCEZLHFYZREC-PMPSAXMXSA-N 2 1 372.535 -0.011 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109868179 839444682 /nfs/dbraw/zinc/44/46/82/839444682.db2.gz FFMGHHDZCVUWEG-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109868179 839444679 /nfs/dbraw/zinc/44/46/79/839444679.db2.gz FFMGHHDZCVUWEG-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902429 839445717 /nfs/dbraw/zinc/44/57/17/839445717.db2.gz HZBQZJGVNNRGBZ-KBMXLJTQSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902429 839445707 /nfs/dbraw/zinc/44/57/07/839445707.db2.gz HZBQZJGVNNRGBZ-KBMXLJTQSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001109902446 839445583 /nfs/dbraw/zinc/44/55/83/839445583.db2.gz JJTPVDAKDSYBSU-PVAVHDDUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001109902534 839445874 /nfs/dbraw/zinc/44/58/74/839445874.db2.gz OOQMPHBVIKJRTL-OEAJRASXSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001109902534 839445861 /nfs/dbraw/zinc/44/58/61/839445861.db2.gz OOQMPHBVIKJRTL-OEAJRASXSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001109902535 839446381 /nfs/dbraw/zinc/44/63/81/839446381.db2.gz OOQMPHBVIKJRTL-SYAUCNOPSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001109902535 839446374 /nfs/dbraw/zinc/44/63/74/839446374.db2.gz OOQMPHBVIKJRTL-SYAUCNOPSA-N 2 1 350.463 -0.293 20 0 FBADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902606 839445481 /nfs/dbraw/zinc/44/54/81/839445481.db2.gz SCDYKXCRFWJMFN-JHNDHUHGSA-N 2 1 355.479 -0.174 20 0 FBADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902607 839446555 /nfs/dbraw/zinc/44/65/55/839446555.db2.gz SCDYKXCRFWJMFN-OHFALNGGSA-N 2 1 355.479 -0.174 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902627 839445746 /nfs/dbraw/zinc/44/57/46/839445746.db2.gz SXTNZQFNWXCHCA-VDERGJSUSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902627 839445741 /nfs/dbraw/zinc/44/57/41/839445741.db2.gz SXTNZQFNWXCHCA-VDERGJSUSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902628 839446590 /nfs/dbraw/zinc/44/65/90/839446590.db2.gz SXTNZQFNWXCHCA-XRGAULLZSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902628 839446587 /nfs/dbraw/zinc/44/65/87/839446587.db2.gz SXTNZQFNWXCHCA-XRGAULLZSA-N 2 1 352.479 -0.047 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109928209 839449769 /nfs/dbraw/zinc/44/97/69/839449769.db2.gz LYZZHOWRPRRVDM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109928209 839449766 /nfs/dbraw/zinc/44/97/66/839449766.db2.gz LYZZHOWRPRRVDM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109928209 839449763 /nfs/dbraw/zinc/44/97/63/839449763.db2.gz LYZZHOWRPRRVDM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109928209 839449760 /nfs/dbraw/zinc/44/97/60/839449760.db2.gz LYZZHOWRPRRVDM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001109932513 839449373 /nfs/dbraw/zinc/44/93/73/839449373.db2.gz KETIURCARZSSMM-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001109932513 839449367 /nfs/dbraw/zinc/44/93/67/839449367.db2.gz KETIURCARZSSMM-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109932513 839449363 /nfs/dbraw/zinc/44/93/63/839449363.db2.gz KETIURCARZSSMM-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109932513 839449354 /nfs/dbraw/zinc/44/93/54/839449354.db2.gz KETIURCARZSSMM-ILXRZTDVSA-N 2 1 360.524 -0.059 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109932889 839448870 /nfs/dbraw/zinc/44/88/70/839448870.db2.gz XNPKWZKEBOMHOK-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109932889 839448860 /nfs/dbraw/zinc/44/88/60/839448860.db2.gz XNPKWZKEBOMHOK-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109932889 839448851 /nfs/dbraw/zinc/44/88/51/839448851.db2.gz XNPKWZKEBOMHOK-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109934057 839449294 /nfs/dbraw/zinc/44/92/94/839449294.db2.gz MHDNAHSMRONFIK-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109934057 839449289 /nfs/dbraw/zinc/44/92/89/839449289.db2.gz MHDNAHSMRONFIK-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109934057 839449285 /nfs/dbraw/zinc/44/92/85/839449285.db2.gz MHDNAHSMRONFIK-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109934057 839449280 /nfs/dbraw/zinc/44/92/80/839449280.db2.gz MHDNAHSMRONFIK-CRWXNKLISA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001109934058 839448936 /nfs/dbraw/zinc/44/89/36/839448936.db2.gz MHDNAHSMRONFIK-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001109934058 839448929 /nfs/dbraw/zinc/44/89/29/839448929.db2.gz MHDNAHSMRONFIK-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001109934058 839448922 /nfs/dbraw/zinc/44/89/22/839448922.db2.gz MHDNAHSMRONFIK-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001109934058 839448912 /nfs/dbraw/zinc/44/89/12/839448912.db2.gz MHDNAHSMRONFIK-MQYQWHSLSA-N 2 1 353.467 -0.106 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001109975826 839453505 /nfs/dbraw/zinc/45/35/05/839453505.db2.gz GPRBPROFBBSWKD-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001109975826 839453501 /nfs/dbraw/zinc/45/35/01/839453501.db2.gz GPRBPROFBBSWKD-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001109975826 839453498 /nfs/dbraw/zinc/45/34/98/839453498.db2.gz GPRBPROFBBSWKD-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001109975826 839453486 /nfs/dbraw/zinc/45/34/86/839453486.db2.gz GPRBPROFBBSWKD-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001109975827 839452602 /nfs/dbraw/zinc/45/26/02/839452602.db2.gz GPRBPROFBBSWKD-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001109975827 839452596 /nfs/dbraw/zinc/45/25/96/839452596.db2.gz GPRBPROFBBSWKD-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001109975827 839452588 /nfs/dbraw/zinc/45/25/88/839452588.db2.gz GPRBPROFBBSWKD-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001109975827 839452582 /nfs/dbraw/zinc/45/25/82/839452582.db2.gz GPRBPROFBBSWKD-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)C1 ZINC001109976114 839452394 /nfs/dbraw/zinc/45/23/94/839452394.db2.gz RZJKVZVGBSSCQN-KBXIAJHMSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001109976114 839452390 /nfs/dbraw/zinc/45/23/90/839452390.db2.gz RZJKVZVGBSSCQN-KBXIAJHMSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001109976114 839452383 /nfs/dbraw/zinc/45/23/83/839452383.db2.gz RZJKVZVGBSSCQN-KBXIAJHMSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001109976114 839452376 /nfs/dbraw/zinc/45/23/76/839452376.db2.gz RZJKVZVGBSSCQN-KBXIAJHMSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)C1 ZINC001109976115 839453419 /nfs/dbraw/zinc/45/34/19/839453419.db2.gz RZJKVZVGBSSCQN-XGUBFFRZSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001109976115 839453413 /nfs/dbraw/zinc/45/34/13/839453413.db2.gz RZJKVZVGBSSCQN-XGUBFFRZSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001109976115 839453407 /nfs/dbraw/zinc/45/34/07/839453407.db2.gz RZJKVZVGBSSCQN-XGUBFFRZSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001109976115 839453401 /nfs/dbraw/zinc/45/34/01/839453401.db2.gz RZJKVZVGBSSCQN-XGUBFFRZSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001109977596 839453561 /nfs/dbraw/zinc/45/35/61/839453561.db2.gz QGJZCVQXDXKKLM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001109977596 839453554 /nfs/dbraw/zinc/45/35/54/839453554.db2.gz QGJZCVQXDXKKLM-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109977623 839453065 /nfs/dbraw/zinc/45/30/65/839453065.db2.gz RTXIMUTUPMULBM-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109977623 839453056 /nfs/dbraw/zinc/45/30/56/839453056.db2.gz RTXIMUTUPMULBM-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109977624 839452822 /nfs/dbraw/zinc/45/28/22/839452822.db2.gz RTXIMUTUPMULBM-UGUYLWEFSA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109977624 839452815 /nfs/dbraw/zinc/45/28/15/839452815.db2.gz RTXIMUTUPMULBM-UGUYLWEFSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109977675 839452546 /nfs/dbraw/zinc/45/25/46/839452546.db2.gz UMTOIYVMHHBRDH-PMPSAXMXSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109977675 839452540 /nfs/dbraw/zinc/45/25/40/839452540.db2.gz UMTOIYVMHHBRDH-PMPSAXMXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001109977761 839453530 /nfs/dbraw/zinc/45/35/30/839453530.db2.gz YJHODTFYLSHJCT-RFGFWPKPSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001109977761 839453526 /nfs/dbraw/zinc/45/35/26/839453526.db2.gz YJHODTFYLSHJCT-RFGFWPKPSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109977762 839452436 /nfs/dbraw/zinc/45/24/36/839452436.db2.gz YJHODTFYLSHJCT-ZOBORPQBSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109977762 839452431 /nfs/dbraw/zinc/45/24/31/839452431.db2.gz YJHODTFYLSHJCT-ZOBORPQBSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109978528 839453238 /nfs/dbraw/zinc/45/32/38/839453238.db2.gz BETCKUSKJVXPIY-ILXRZTDVSA-N 2 1 353.467 -0.689 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979965 839453466 /nfs/dbraw/zinc/45/34/66/839453466.db2.gz GWLXFSZSHRGUCG-OJLVUWQFSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979965 839453459 /nfs/dbraw/zinc/45/34/59/839453459.db2.gz GWLXFSZSHRGUCG-OJLVUWQFSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979966 839452888 /nfs/dbraw/zinc/45/28/88/839452888.db2.gz GWLXFSZSHRGUCG-UKMLZYKCSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979966 839452885 /nfs/dbraw/zinc/45/28/85/839452885.db2.gz GWLXFSZSHRGUCG-UKMLZYKCSA-N 2 1 352.479 -0.047 20 0 FBADMP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980500 839454460 /nfs/dbraw/zinc/45/44/60/839454460.db2.gz PGDYWXNXGPYCFY-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980500 839454455 /nfs/dbraw/zinc/45/44/55/839454455.db2.gz PGDYWXNXGPYCFY-FXUDXRNXSA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980501 839454191 /nfs/dbraw/zinc/45/41/91/839454191.db2.gz PGDYWXNXGPYCFY-UGUYLWEFSA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980501 839454181 /nfs/dbraw/zinc/45/41/81/839454181.db2.gz PGDYWXNXGPYCFY-UGUYLWEFSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001109980589 839454915 /nfs/dbraw/zinc/45/49/15/839454915.db2.gz RJTHBDAFDIFOJS-PMPSAXMXSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109980772 839455203 /nfs/dbraw/zinc/45/52/03/839455203.db2.gz ZPDLQKLHAQRTPO-PMPSAXMXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109980772 839455196 /nfs/dbraw/zinc/45/51/96/839455196.db2.gz ZPDLQKLHAQRTPO-PMPSAXMXSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)S(C)(=O)=O ZINC001109982740 839455180 /nfs/dbraw/zinc/45/51/80/839455180.db2.gz PNCOGJYQPNIIRB-ILXRZTDVSA-N 2 1 370.519 -0.305 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)S(C)(=O)=O ZINC001109982740 839455172 /nfs/dbraw/zinc/45/51/72/839455172.db2.gz PNCOGJYQPNIIRB-ILXRZTDVSA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110002493 839454519 /nfs/dbraw/zinc/45/45/19/839454519.db2.gz JFQZMLCNENZQEF-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110002493 839454510 /nfs/dbraw/zinc/45/45/10/839454510.db2.gz JFQZMLCNENZQEF-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110019463 839456949 /nfs/dbraw/zinc/45/69/49/839456949.db2.gz YQQLWWXLLGHKLN-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110019463 839456943 /nfs/dbraw/zinc/45/69/43/839456943.db2.gz YQQLWWXLLGHKLN-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110019463 839456940 /nfs/dbraw/zinc/45/69/40/839456940.db2.gz YQQLWWXLLGHKLN-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110019463 839456932 /nfs/dbraw/zinc/45/69/32/839456932.db2.gz YQQLWWXLLGHKLN-ILXRZTDVSA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001110021044 839455953 /nfs/dbraw/zinc/45/59/53/839455953.db2.gz VBZVSSWLJHWJKR-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001110021044 839455950 /nfs/dbraw/zinc/45/59/50/839455950.db2.gz VBZVSSWLJHWJKR-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001110021044 839455948 /nfs/dbraw/zinc/45/59/48/839455948.db2.gz VBZVSSWLJHWJKR-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001110021044 839455945 /nfs/dbraw/zinc/45/59/45/839455945.db2.gz VBZVSSWLJHWJKR-RDBSUJKOSA-N 2 1 351.451 -0.399 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101153 839495893 /nfs/dbraw/zinc/49/58/93/839495893.db2.gz BAUDGCJKOGSRFC-FZKCQIBNSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101154 839495700 /nfs/dbraw/zinc/49/57/00/839495700.db2.gz BAUDGCJKOGSRFC-WCVJEAGWSA-N 2 1 372.535 -0.011 20 0 FBADMP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101308 839495988 /nfs/dbraw/zinc/49/59/88/839495988.db2.gz JMYZOSLGDVCRKX-FZKCQIBNSA-N 2 1 352.479 -0.188 20 0 FBADMP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101309 839496084 /nfs/dbraw/zinc/49/60/84/839496084.db2.gz JMYZOSLGDVCRKX-WCVJEAGWSA-N 2 1 352.479 -0.188 20 0 FBADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101489 839495810 /nfs/dbraw/zinc/49/58/10/839495810.db2.gz QZOQNMPDVLVNEK-FZKCQIBNSA-N 2 1 352.479 -0.188 20 0 FBADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101490 839496349 /nfs/dbraw/zinc/49/63/49/839496349.db2.gz QZOQNMPDVLVNEK-WCVJEAGWSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101552 839497245 /nfs/dbraw/zinc/49/72/45/839497245.db2.gz UNWPAVLSANCDQA-NCOADZHNSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101552 839497241 /nfs/dbraw/zinc/49/72/41/839497241.db2.gz UNWPAVLSANCDQA-NCOADZHNSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101552 839497236 /nfs/dbraw/zinc/49/72/36/839497236.db2.gz UNWPAVLSANCDQA-NCOADZHNSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101553 839497320 /nfs/dbraw/zinc/49/73/20/839497320.db2.gz UNWPAVLSANCDQA-YVSFHVDLSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101553 839497316 /nfs/dbraw/zinc/49/73/16/839497316.db2.gz UNWPAVLSANCDQA-YVSFHVDLSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101553 839497313 /nfs/dbraw/zinc/49/73/13/839497313.db2.gz UNWPAVLSANCDQA-YVSFHVDLSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001110101636 839496844 /nfs/dbraw/zinc/49/68/44/839496844.db2.gz XTTYBVLMARMBSP-KBXIAJHMSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001110101636 839496839 /nfs/dbraw/zinc/49/68/39/839496839.db2.gz XTTYBVLMARMBSP-KBXIAJHMSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001110101636 839496832 /nfs/dbraw/zinc/49/68/32/839496832.db2.gz XTTYBVLMARMBSP-KBXIAJHMSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001110101636 839496826 /nfs/dbraw/zinc/49/68/26/839496826.db2.gz XTTYBVLMARMBSP-KBXIAJHMSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001110101637 839497502 /nfs/dbraw/zinc/49/75/02/839497502.db2.gz XTTYBVLMARMBSP-XGUBFFRZSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001110101637 839497500 /nfs/dbraw/zinc/49/75/00/839497500.db2.gz XTTYBVLMARMBSP-XGUBFFRZSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001110101637 839497496 /nfs/dbraw/zinc/49/74/96/839497496.db2.gz XTTYBVLMARMBSP-XGUBFFRZSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001110101637 839497493 /nfs/dbraw/zinc/49/74/93/839497493.db2.gz XTTYBVLMARMBSP-XGUBFFRZSA-N 2 1 358.508 -0.449 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101862 839497094 /nfs/dbraw/zinc/49/70/94/839497094.db2.gz IRUINLCURMJSTF-IKGGRYGDSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101862 839497086 /nfs/dbraw/zinc/49/70/86/839497086.db2.gz IRUINLCURMJSTF-IKGGRYGDSA-N 2 1 352.479 -0.044 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110102064 839497287 /nfs/dbraw/zinc/49/72/87/839497287.db2.gz RFNKNXJBAQFOFP-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110102064 839497285 /nfs/dbraw/zinc/49/72/85/839497285.db2.gz RFNKNXJBAQFOFP-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102064 839497280 /nfs/dbraw/zinc/49/72/80/839497280.db2.gz RFNKNXJBAQFOFP-FZKCQIBNSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110102065 839496763 /nfs/dbraw/zinc/49/67/63/839496763.db2.gz RFNKNXJBAQFOFP-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110102065 839496757 /nfs/dbraw/zinc/49/67/57/839496757.db2.gz RFNKNXJBAQFOFP-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102065 839496753 /nfs/dbraw/zinc/49/67/53/839496753.db2.gz RFNKNXJBAQFOFP-WCVJEAGWSA-N 2 1 372.535 -0.059 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102163 839497470 /nfs/dbraw/zinc/49/74/70/839497470.db2.gz VNEXWVYEECSFMD-NCOADZHNSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102163 839497467 /nfs/dbraw/zinc/49/74/67/839497467.db2.gz VNEXWVYEECSFMD-NCOADZHNSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102164 839497138 /nfs/dbraw/zinc/49/71/38/839497138.db2.gz VNEXWVYEECSFMD-QZWWFDLISA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102164 839497128 /nfs/dbraw/zinc/49/71/28/839497128.db2.gz VNEXWVYEECSFMD-QZWWFDLISA-N 2 1 355.479 -0.172 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110107379 839785604 /nfs/dbraw/zinc/78/56/04/839785604.db2.gz GTLZEHHFONZCKJ-NCOADZHNSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110107380 839785254 /nfs/dbraw/zinc/78/52/54/839785254.db2.gz GTLZEHHFONZCKJ-YVSFHVDLSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C ZINC001110107900 839789118 /nfs/dbraw/zinc/78/91/18/839789118.db2.gz ZEVVDTOVAOUAFU-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C ZINC001110107901 839789012 /nfs/dbraw/zinc/78/90/12/839789012.db2.gz ZEVVDTOVAOUAFU-WCVJEAGWSA-N 2 1 352.479 -0.236 20 0 FBADMP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001110107921 839789236 /nfs/dbraw/zinc/78/92/36/839789236.db2.gz ZXJZHDMUPABZHK-FZKCQIBNSA-N 2 1 352.479 -0.188 20 0 FBADMP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CN1CCOCC1)C2 ZINC001110107922 839788959 /nfs/dbraw/zinc/78/89/59/839788959.db2.gz ZXJZHDMUPABZHK-WCVJEAGWSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001110160632 840195479 /nfs/dbraw/zinc/19/54/79/840195479.db2.gz XKHIJHYYGQWRGO-RDBSUJKOSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001110160632 840195473 /nfs/dbraw/zinc/19/54/73/840195473.db2.gz XKHIJHYYGQWRGO-RDBSUJKOSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001110160632 840195465 /nfs/dbraw/zinc/19/54/65/840195465.db2.gz XKHIJHYYGQWRGO-RDBSUJKOSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001110160632 840195456 /nfs/dbraw/zinc/19/54/56/840195456.db2.gz XKHIJHYYGQWRGO-RDBSUJKOSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386090 840544278 /nfs/dbraw/zinc/54/42/78/840544278.db2.gz FMSMBJXBNDXUHI-NCOADZHNSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386090 840544269 /nfs/dbraw/zinc/54/42/69/840544269.db2.gz FMSMBJXBNDXUHI-NCOADZHNSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386090 840544259 /nfs/dbraw/zinc/54/42/59/840544259.db2.gz FMSMBJXBNDXUHI-NCOADZHNSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386091 840544216 /nfs/dbraw/zinc/54/42/16/840544216.db2.gz FMSMBJXBNDXUHI-WCXIOVBPSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386091 840544207 /nfs/dbraw/zinc/54/42/07/840544207.db2.gz FMSMBJXBNDXUHI-WCXIOVBPSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386091 840544201 /nfs/dbraw/zinc/54/42/01/840544201.db2.gz FMSMBJXBNDXUHI-WCXIOVBPSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001110575684 841725163 /nfs/dbraw/zinc/72/51/63/841725163.db2.gz ZHNPAYNMCAOPGP-QCODTGAPSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001110575684 841725158 /nfs/dbraw/zinc/72/51/58/841725158.db2.gz ZHNPAYNMCAOPGP-QCODTGAPSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001110575684 841725155 /nfs/dbraw/zinc/72/51/55/841725155.db2.gz ZHNPAYNMCAOPGP-QCODTGAPSA-N 2 1 372.535 -0.061 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001110575684 841725148 /nfs/dbraw/zinc/72/51/48/841725148.db2.gz ZHNPAYNMCAOPGP-QCODTGAPSA-N 2 1 372.535 -0.061 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CC[N@H+]1C ZINC001110576503 841725963 /nfs/dbraw/zinc/72/59/63/841725963.db2.gz MDEPTIXPWLOREL-JKJDWNRSSA-N 2 1 372.535 -0.013 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)CC[N@H+]1C ZINC001110576656 841726086 /nfs/dbraw/zinc/72/60/86/841726086.db2.gz UUTXKMMKKNXDDY-ITGHMWBKSA-N 2 1 351.451 -0.367 20 0 FBADMP CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576679 841726283 /nfs/dbraw/zinc/72/62/83/841726283.db2.gz VTVMBUBXINDKED-QCODTGAPSA-N 2 1 372.535 -0.013 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670869 841747734 /nfs/dbraw/zinc/74/77/34/841747734.db2.gz HPVMLCUEZVPOSY-ASEORRQLSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110670869 841747728 /nfs/dbraw/zinc/74/77/28/841747728.db2.gz HPVMLCUEZVPOSY-ASEORRQLSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670869 841747719 /nfs/dbraw/zinc/74/77/19/841747719.db2.gz HPVMLCUEZVPOSY-ASEORRQLSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670869 841747709 /nfs/dbraw/zinc/74/77/09/841747709.db2.gz HPVMLCUEZVPOSY-ASEORRQLSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670870 841747962 /nfs/dbraw/zinc/74/79/62/841747962.db2.gz HPVMLCUEZVPOSY-ZRJCITRHSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110670870 841747958 /nfs/dbraw/zinc/74/79/58/841747958.db2.gz HPVMLCUEZVPOSY-ZRJCITRHSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670870 841747952 /nfs/dbraw/zinc/74/79/52/841747952.db2.gz HPVMLCUEZVPOSY-ZRJCITRHSA-N 2 1 351.451 -0.224 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670870 841747946 /nfs/dbraw/zinc/74/79/46/841747946.db2.gz HPVMLCUEZVPOSY-ZRJCITRHSA-N 2 1 351.451 -0.224 20 0 FBADMP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110708147 841753974 /nfs/dbraw/zinc/75/39/74/841753974.db2.gz MXTORFOZTZPETC-DGXTUMSLSA-N 2 1 352.479 -0.095 20 0 FBADMP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110708147 841753968 /nfs/dbraw/zinc/75/39/68/841753968.db2.gz MXTORFOZTZPETC-DGXTUMSLSA-N 2 1 352.479 -0.095 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001110711678 841754265 /nfs/dbraw/zinc/75/42/65/841754265.db2.gz JWHQAFLTMSASEZ-SYQHCUMBSA-N 2 1 351.451 -0.400 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001110711678 841754261 /nfs/dbraw/zinc/75/42/61/841754261.db2.gz JWHQAFLTMSASEZ-SYQHCUMBSA-N 2 1 351.451 -0.400 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O ZINC001110817167 841765335 /nfs/dbraw/zinc/76/53/35/841765335.db2.gz QEANRMCUIHDING-KFWWJZLASA-N 2 1 369.491 -0.196 20 0 FBADMP CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817221 841765266 /nfs/dbraw/zinc/76/52/66/841765266.db2.gz SOZPTPVORKBPND-KFWWJZLASA-N 2 1 369.491 -0.148 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O ZINC001110817296 841765374 /nfs/dbraw/zinc/76/53/74/841765374.db2.gz WXOKURBJKDMPBZ-MCIONIFRSA-N 2 1 355.464 -0.538 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110941088 842022042 /nfs/dbraw/zinc/02/20/42/842022042.db2.gz OIYYLLMUUAJSMY-NCOADZHNSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110941088 842022031 /nfs/dbraw/zinc/02/20/31/842022031.db2.gz OIYYLLMUUAJSMY-NCOADZHNSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110941088 842022017 /nfs/dbraw/zinc/02/20/17/842022017.db2.gz OIYYLLMUUAJSMY-NCOADZHNSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110941088 842022007 /nfs/dbraw/zinc/02/20/07/842022007.db2.gz OIYYLLMUUAJSMY-NCOADZHNSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110941089 842021791 /nfs/dbraw/zinc/02/17/91/842021791.db2.gz OIYYLLMUUAJSMY-WCXIOVBPSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110941089 842021780 /nfs/dbraw/zinc/02/17/80/842021780.db2.gz OIYYLLMUUAJSMY-WCXIOVBPSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110941089 842021767 /nfs/dbraw/zinc/02/17/67/842021767.db2.gz OIYYLLMUUAJSMY-WCXIOVBPSA-N 2 1 355.479 -0.174 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110941089 842021754 /nfs/dbraw/zinc/02/17/54/842021754.db2.gz OIYYLLMUUAJSMY-WCXIOVBPSA-N 2 1 355.479 -0.174 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)S(C)(=O)=O ZINC001110953946 842022721 /nfs/dbraw/zinc/02/27/21/842022721.db2.gz GZKWOKHZUJPAGX-KFWWJZLASA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)S(C)(=O)=O ZINC001110953946 842022709 /nfs/dbraw/zinc/02/27/09/842022709.db2.gz GZKWOKHZUJPAGX-KFWWJZLASA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110959426 842023081 /nfs/dbraw/zinc/02/30/81/842023081.db2.gz LKOHIDRHHAGMFP-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110959426 842023072 /nfs/dbraw/zinc/02/30/72/842023072.db2.gz LKOHIDRHHAGMFP-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)S(C)(=O)=O ZINC001110959490 842023773 /nfs/dbraw/zinc/02/37/73/842023773.db2.gz NLFIHHQMUFMSFS-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)S(C)(=O)=O ZINC001110959490 842023766 /nfs/dbraw/zinc/02/37/66/842023766.db2.gz NLFIHHQMUFMSFS-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001110961053 842022849 /nfs/dbraw/zinc/02/28/49/842022849.db2.gz PVNDDMMRZDQMIG-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962603 842025226 /nfs/dbraw/zinc/02/52/26/842025226.db2.gz XZCAUTSDNYHMKB-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962603 842025210 /nfs/dbraw/zinc/02/52/10/842025210.db2.gz XZCAUTSDNYHMKB-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962604 842025392 /nfs/dbraw/zinc/02/53/92/842025392.db2.gz XZCAUTSDNYHMKB-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962604 842025378 /nfs/dbraw/zinc/02/53/78/842025378.db2.gz XZCAUTSDNYHMKB-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976209 842029274 /nfs/dbraw/zinc/02/92/74/842029274.db2.gz GZWIVKKEZSWVFF-ASEORRQLSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976209 842029262 /nfs/dbraw/zinc/02/92/62/842029262.db2.gz GZWIVKKEZSWVFF-ASEORRQLSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976210 842028329 /nfs/dbraw/zinc/02/83/29/842028329.db2.gz GZWIVKKEZSWVFF-ZRJCITRHSA-N 2 1 351.451 -0.367 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976210 842028317 /nfs/dbraw/zinc/02/83/17/842028317.db2.gz GZWIVKKEZSWVFF-ZRJCITRHSA-N 2 1 351.451 -0.367 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976963 842028822 /nfs/dbraw/zinc/02/88/22/842028822.db2.gz YJGZIXKSILYLTB-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976963 842028806 /nfs/dbraw/zinc/02/88/06/842028806.db2.gz YJGZIXKSILYLTB-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976965 842028046 /nfs/dbraw/zinc/02/80/46/842028046.db2.gz YJGZIXKSILYLTB-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976965 842028033 /nfs/dbraw/zinc/02/80/33/842028033.db2.gz YJGZIXKSILYLTB-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)S(C)(=O)=O ZINC001110979252 842029137 /nfs/dbraw/zinc/02/91/37/842029137.db2.gz ZRSJPQPWTYGPDH-OAGGEKHMSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)S(C)(=O)=O ZINC001110979252 842029127 /nfs/dbraw/zinc/02/91/27/842029127.db2.gz ZRSJPQPWTYGPDH-OAGGEKHMSA-N 2 1 372.535 -0.059 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981073 842028771 /nfs/dbraw/zinc/02/87/71/842028771.db2.gz IALMEQGQLMBSBA-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001110981459 842027557 /nfs/dbraw/zinc/02/75/57/842027557.db2.gz QWOGYFUWEVUQCJ-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001110981460 842027934 /nfs/dbraw/zinc/02/79/34/842027934.db2.gz QWOGYFUWEVUQCJ-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001110981675 842027909 /nfs/dbraw/zinc/02/79/09/842027909.db2.gz YCHIKTKYVUMREN-KFWWJZLASA-N 2 1 358.508 -0.305 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001110981675 842027899 /nfs/dbraw/zinc/02/78/99/842027899.db2.gz YCHIKTKYVUMREN-KFWWJZLASA-N 2 1 358.508 -0.305 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110981808 842028072 /nfs/dbraw/zinc/02/80/72/842028072.db2.gz ZDLBTFUYMRYHHV-FPCVCCKLSA-N 2 1 352.479 -0.357 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981998 842029196 /nfs/dbraw/zinc/02/91/96/842029196.db2.gz BXACPXIUUABFGI-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001110982034 842027714 /nfs/dbraw/zinc/02/77/14/842027714.db2.gz DOGZFMHSLWSFEN-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001110982440 842029337 /nfs/dbraw/zinc/02/93/37/842029337.db2.gz XKOQBXKLDBTVJL-FPCVCCKLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001110982440 842029329 /nfs/dbraw/zinc/02/93/29/842029329.db2.gz XKOQBXKLDBTVJL-FPCVCCKLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001110982441 842027637 /nfs/dbraw/zinc/02/76/37/842027637.db2.gz XKOQBXKLDBTVJL-JJXSEGSLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CCO1 ZINC001110982441 842027625 /nfs/dbraw/zinc/02/76/25/842027625.db2.gz XKOQBXKLDBTVJL-JJXSEGSLSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001111037085 842033595 /nfs/dbraw/zinc/03/35/95/842033595.db2.gz JWHQAFLTMSASEZ-MQYQWHSLSA-N 2 1 351.451 -0.400 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](C)C ZINC001111037085 842033589 /nfs/dbraw/zinc/03/35/89/842033589.db2.gz JWHQAFLTMSASEZ-MQYQWHSLSA-N 2 1 351.451 -0.400 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)CC1 ZINC001111099577 842040926 /nfs/dbraw/zinc/04/09/26/842040926.db2.gz NFJCEZLHFYZREC-OAGGEKHMSA-N 2 1 372.535 -0.011 20 0 FBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)CC1 ZINC001111099577 842040916 /nfs/dbraw/zinc/04/09/16/842040916.db2.gz NFJCEZLHFYZREC-OAGGEKHMSA-N 2 1 372.535 -0.011 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001111171458 842052357 /nfs/dbraw/zinc/05/23/57/842052357.db2.gz FFMGHHDZCVUWEG-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111171458 842052346 /nfs/dbraw/zinc/05/23/46/842052346.db2.gz FFMGHHDZCVUWEG-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001111197134 842056333 /nfs/dbraw/zinc/05/63/33/842056333.db2.gz JJTPVDAKDSYBSU-OIISXLGYSA-N 2 1 355.479 -0.172 20 0 FBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198095 842056411 /nfs/dbraw/zinc/05/64/11/842056411.db2.gz HZBQZJGVNNRGBZ-BMFZPTHFSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198095 842056408 /nfs/dbraw/zinc/05/64/08/842056408.db2.gz HZBQZJGVNNRGBZ-BMFZPTHFSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001111198205 842055571 /nfs/dbraw/zinc/05/55/71/842055571.db2.gz OOQMPHBVIKJRTL-DMRZNYOFSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001111198205 842055560 /nfs/dbraw/zinc/05/55/60/842055560.db2.gz OOQMPHBVIKJRTL-DMRZNYOFSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001111198206 842056454 /nfs/dbraw/zinc/05/64/54/842056454.db2.gz OOQMPHBVIKJRTL-OJLVUWQFSA-N 2 1 350.463 -0.293 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001111198206 842056441 /nfs/dbraw/zinc/05/64/41/842056441.db2.gz OOQMPHBVIKJRTL-OJLVUWQFSA-N 2 1 350.463 -0.293 20 0 FBADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198291 842055163 /nfs/dbraw/zinc/05/51/63/842055163.db2.gz SCDYKXCRFWJMFN-SRABZTEZSA-N 2 1 355.479 -0.174 20 0 FBADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198292 842055904 /nfs/dbraw/zinc/05/59/04/842055904.db2.gz SCDYKXCRFWJMFN-WTTBNOFXSA-N 2 1 355.479 -0.174 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198316 842055608 /nfs/dbraw/zinc/05/56/08/842055608.db2.gz SXTNZQFNWXCHCA-XNISGKROSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198316 842055606 /nfs/dbraw/zinc/05/56/06/842055606.db2.gz SXTNZQFNWXCHCA-XNISGKROSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198317 842055698 /nfs/dbraw/zinc/05/56/98/842055698.db2.gz SXTNZQFNWXCHCA-XOUADPBQSA-N 2 1 352.479 -0.047 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198317 842055686 /nfs/dbraw/zinc/05/56/86/842055686.db2.gz SXTNZQFNWXCHCA-XOUADPBQSA-N 2 1 352.479 -0.047 20 0 FBADMP CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230171 842060437 /nfs/dbraw/zinc/06/04/37/842060437.db2.gz IWQCRCYOFQKJGJ-MCIONIFRSA-N 2 1 353.467 -0.105 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001111230340 842060411 /nfs/dbraw/zinc/06/04/11/842060411.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001111230340 842060398 /nfs/dbraw/zinc/06/03/98/842060398.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001111230340 842060391 /nfs/dbraw/zinc/06/03/91/842060391.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001111230340 842060378 /nfs/dbraw/zinc/06/03/78/842060378.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001111230340 842060366 /nfs/dbraw/zinc/06/03/66/842060366.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060814 /nfs/dbraw/zinc/06/08/14/842060814.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060803 /nfs/dbraw/zinc/06/08/03/842060803.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060790 /nfs/dbraw/zinc/06/07/90/842060790.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060780 /nfs/dbraw/zinc/06/07/80/842060780.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060767 /nfs/dbraw/zinc/06/07/67/842060767.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059909 /nfs/dbraw/zinc/05/99/09/842059909.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059897 /nfs/dbraw/zinc/05/98/97/842059897.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059886 /nfs/dbraw/zinc/05/98/86/842059886.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059874 /nfs/dbraw/zinc/05/98/74/842059874.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059864 /nfs/dbraw/zinc/05/98/64/842059864.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 1 353.467 -0.106 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111233273 842060902 /nfs/dbraw/zinc/06/09/02/842060902.db2.gz KETIURCARZSSMM-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111233273 842060892 /nfs/dbraw/zinc/06/08/92/842060892.db2.gz KETIURCARZSSMM-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111233273 842060879 /nfs/dbraw/zinc/06/08/79/842060879.db2.gz KETIURCARZSSMM-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111233273 842060866 /nfs/dbraw/zinc/06/08/66/842060866.db2.gz KETIURCARZSSMM-KFWWJZLASA-N 2 1 360.524 -0.059 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001111235066 842060523 /nfs/dbraw/zinc/06/05/23/842060523.db2.gz XNPKWZKEBOMHOK-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111235066 842060511 /nfs/dbraw/zinc/06/05/11/842060511.db2.gz XNPKWZKEBOMHOK-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111235066 842060500 /nfs/dbraw/zinc/06/05/00/842060500.db2.gz XNPKWZKEBOMHOK-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001111274529 842067106 /nfs/dbraw/zinc/06/71/06/842067106.db2.gz GPRBPROFBBSWKD-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001111274529 842067093 /nfs/dbraw/zinc/06/70/93/842067093.db2.gz GPRBPROFBBSWKD-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111274529 842067081 /nfs/dbraw/zinc/06/70/81/842067081.db2.gz GPRBPROFBBSWKD-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111274529 842067068 /nfs/dbraw/zinc/06/70/68/842067068.db2.gz GPRBPROFBBSWKD-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001111274530 842066925 /nfs/dbraw/zinc/06/69/25/842066925.db2.gz GPRBPROFBBSWKD-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001111274530 842066913 /nfs/dbraw/zinc/06/69/13/842066913.db2.gz GPRBPROFBBSWKD-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111274530 842066901 /nfs/dbraw/zinc/06/69/01/842066901.db2.gz GPRBPROFBBSWKD-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111274530 842066891 /nfs/dbraw/zinc/06/68/91/842066891.db2.gz GPRBPROFBBSWKD-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)C1 ZINC001111275240 842065659 /nfs/dbraw/zinc/06/56/59/842065659.db2.gz RZJKVZVGBSSCQN-TUVASFSCSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001111275240 842065645 /nfs/dbraw/zinc/06/56/45/842065645.db2.gz RZJKVZVGBSSCQN-TUVASFSCSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001111275240 842065633 /nfs/dbraw/zinc/06/56/33/842065633.db2.gz RZJKVZVGBSSCQN-TUVASFSCSA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001111275240 842065621 /nfs/dbraw/zinc/06/56/21/842065621.db2.gz RZJKVZVGBSSCQN-TUVASFSCSA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)C1 ZINC001111275241 842065577 /nfs/dbraw/zinc/06/55/77/842065577.db2.gz RZJKVZVGBSSCQN-YJNKXOJESA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)C1 ZINC001111275241 842065565 /nfs/dbraw/zinc/06/55/65/842065565.db2.gz RZJKVZVGBSSCQN-YJNKXOJESA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001111275241 842065557 /nfs/dbraw/zinc/06/55/57/842065557.db2.gz RZJKVZVGBSSCQN-YJNKXOJESA-N 2 1 358.508 -0.401 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNS(C)(=O)=O)C1 ZINC001111275241 842065547 /nfs/dbraw/zinc/06/55/47/842065547.db2.gz RZJKVZVGBSSCQN-YJNKXOJESA-N 2 1 358.508 -0.401 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001111277416 842067270 /nfs/dbraw/zinc/06/72/70/842067270.db2.gz QGJZCVQXDXKKLM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001111277416 842067257 /nfs/dbraw/zinc/06/72/57/842067257.db2.gz QGJZCVQXDXKKLM-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277438 842066856 /nfs/dbraw/zinc/06/68/56/842066856.db2.gz RTXIMUTUPMULBM-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277438 842066848 /nfs/dbraw/zinc/06/68/48/842066848.db2.gz RTXIMUTUPMULBM-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277439 842065904 /nfs/dbraw/zinc/06/59/04/842065904.db2.gz RTXIMUTUPMULBM-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277439 842065892 /nfs/dbraw/zinc/06/58/92/842065892.db2.gz RTXIMUTUPMULBM-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111277484 842066738 /nfs/dbraw/zinc/06/67/38/842066738.db2.gz UMTOIYVMHHBRDH-OAGGEKHMSA-N 2 1 352.479 -0.093 20 0 FBADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111277484 842066726 /nfs/dbraw/zinc/06/67/26/842066726.db2.gz UMTOIYVMHHBRDH-OAGGEKHMSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111277574 842066308 /nfs/dbraw/zinc/06/63/08/842066308.db2.gz YJHODTFYLSHJCT-MQYQWHSLSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111277574 842066303 /nfs/dbraw/zinc/06/63/03/842066303.db2.gz YJHODTFYLSHJCT-MQYQWHSLSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111277575 842066273 /nfs/dbraw/zinc/06/62/73/842066273.db2.gz YJHODTFYLSHJCT-YIYPIFLZSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111277575 842066269 /nfs/dbraw/zinc/06/62/69/842066269.db2.gz YJHODTFYLSHJCT-YIYPIFLZSA-N 2 1 352.435 -0.909 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111279409 842066762 /nfs/dbraw/zinc/06/67/62/842066762.db2.gz BETCKUSKJVXPIY-KFWWJZLASA-N 2 1 353.467 -0.689 20 0 FBADMP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111280116 842067159 /nfs/dbraw/zinc/06/71/59/842067159.db2.gz PGDYWXNXGPYCFY-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111280116 842067143 /nfs/dbraw/zinc/06/71/43/842067143.db2.gz PGDYWXNXGPYCFY-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111280117 842065968 /nfs/dbraw/zinc/06/59/68/842065968.db2.gz PGDYWXNXGPYCFY-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111280117 842065958 /nfs/dbraw/zinc/06/59/58/842065958.db2.gz PGDYWXNXGPYCFY-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001111280264 842065511 /nfs/dbraw/zinc/06/55/11/842065511.db2.gz RJTHBDAFDIFOJS-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111280475 842065814 /nfs/dbraw/zinc/06/58/14/842065814.db2.gz ZPDLQKLHAQRTPO-OAGGEKHMSA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111280475 842065803 /nfs/dbraw/zinc/06/58/03/842065803.db2.gz ZPDLQKLHAQRTPO-OAGGEKHMSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281120 842067684 /nfs/dbraw/zinc/06/76/84/842067684.db2.gz GWLXFSZSHRGUCG-MIGQKNRLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281120 842067676 /nfs/dbraw/zinc/06/76/76/842067676.db2.gz GWLXFSZSHRGUCG-MIGQKNRLSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281121 842067707 /nfs/dbraw/zinc/06/77/07/842067707.db2.gz GWLXFSZSHRGUCG-XZDPQHSOSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281121 842067700 /nfs/dbraw/zinc/06/77/00/842067700.db2.gz GWLXFSZSHRGUCG-XZDPQHSOSA-N 2 1 352.479 -0.047 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)S(C)(=O)=O ZINC001111281384 842067552 /nfs/dbraw/zinc/06/75/52/842067552.db2.gz PNCOGJYQPNIIRB-KFWWJZLASA-N 2 1 370.519 -0.305 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)S(C)(=O)=O ZINC001111281384 842067546 /nfs/dbraw/zinc/06/75/46/842067546.db2.gz PNCOGJYQPNIIRB-KFWWJZLASA-N 2 1 370.519 -0.305 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111296413 842068589 /nfs/dbraw/zinc/06/85/89/842068589.db2.gz JFQZMLCNENZQEF-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111296413 842068580 /nfs/dbraw/zinc/06/85/80/842068580.db2.gz JFQZMLCNENZQEF-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111307808 842068690 /nfs/dbraw/zinc/06/86/90/842068690.db2.gz YQQLWWXLLGHKLN-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111307808 842068681 /nfs/dbraw/zinc/06/86/81/842068681.db2.gz YQQLWWXLLGHKLN-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111307808 842068669 /nfs/dbraw/zinc/06/86/69/842068669.db2.gz YQQLWWXLLGHKLN-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111307808 842068663 /nfs/dbraw/zinc/06/86/63/842068663.db2.gz YQQLWWXLLGHKLN-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001111312728 842069702 /nfs/dbraw/zinc/06/97/02/842069702.db2.gz VBZVSSWLJHWJKR-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111312728 842069691 /nfs/dbraw/zinc/06/96/91/842069691.db2.gz VBZVSSWLJHWJKR-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111312728 842069678 /nfs/dbraw/zinc/06/96/78/842069678.db2.gz VBZVSSWLJHWJKR-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111312728 842069668 /nfs/dbraw/zinc/06/96/68/842069668.db2.gz VBZVSSWLJHWJKR-MCIONIFRSA-N 2 1 351.451 -0.399 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406811 842081634 /nfs/dbraw/zinc/08/16/34/842081634.db2.gz BAUDGCJKOGSRFC-FPCVCCKLSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406811 842081622 /nfs/dbraw/zinc/08/16/22/842081622.db2.gz BAUDGCJKOGSRFC-FPCVCCKLSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406811 842081610 /nfs/dbraw/zinc/08/16/10/842081610.db2.gz BAUDGCJKOGSRFC-FPCVCCKLSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406812 842080985 /nfs/dbraw/zinc/08/09/85/842080985.db2.gz BAUDGCJKOGSRFC-JJXSEGSLSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111406812 842080978 /nfs/dbraw/zinc/08/09/78/842080978.db2.gz BAUDGCJKOGSRFC-JJXSEGSLSA-N 2 1 372.535 -0.011 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406812 842080967 /nfs/dbraw/zinc/08/09/67/842080967.db2.gz BAUDGCJKOGSRFC-JJXSEGSLSA-N 2 1 372.535 -0.011 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407355 842082986 /nfs/dbraw/zinc/08/29/86/842082986.db2.gz RFNKNXJBAQFOFP-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407355 842082971 /nfs/dbraw/zinc/08/29/71/842082971.db2.gz RFNKNXJBAQFOFP-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407355 842082962 /nfs/dbraw/zinc/08/29/62/842082962.db2.gz RFNKNXJBAQFOFP-FPCVCCKLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407357 842083990 /nfs/dbraw/zinc/08/39/90/842083990.db2.gz RFNKNXJBAQFOFP-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407357 842083979 /nfs/dbraw/zinc/08/39/79/842083979.db2.gz RFNKNXJBAQFOFP-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407357 842083967 /nfs/dbraw/zinc/08/39/67/842083967.db2.gz RFNKNXJBAQFOFP-JJXSEGSLSA-N 2 1 372.535 -0.059 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407643 842082791 /nfs/dbraw/zinc/08/27/91/842082791.db2.gz UNWPAVLSANCDQA-HZMVEIRTSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407643 842082781 /nfs/dbraw/zinc/08/27/81/842082781.db2.gz UNWPAVLSANCDQA-HZMVEIRTSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407643 842082772 /nfs/dbraw/zinc/08/27/72/842082772.db2.gz UNWPAVLSANCDQA-HZMVEIRTSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407644 842082898 /nfs/dbraw/zinc/08/28/98/842082898.db2.gz UNWPAVLSANCDQA-VQHPVUNQSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407644 842082893 /nfs/dbraw/zinc/08/28/93/842082893.db2.gz UNWPAVLSANCDQA-VQHPVUNQSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407644 842082881 /nfs/dbraw/zinc/08/28/81/842082881.db2.gz UNWPAVLSANCDQA-VQHPVUNQSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001111407871 842082690 /nfs/dbraw/zinc/08/26/90/842082690.db2.gz XTTYBVLMARMBSP-TUVASFSCSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001111407871 842082675 /nfs/dbraw/zinc/08/26/75/842082675.db2.gz XTTYBVLMARMBSP-TUVASFSCSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111407871 842082661 /nfs/dbraw/zinc/08/26/61/842082661.db2.gz XTTYBVLMARMBSP-TUVASFSCSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111407871 842082648 /nfs/dbraw/zinc/08/26/48/842082648.db2.gz XTTYBVLMARMBSP-TUVASFSCSA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2)S(C)(=O)=O ZINC001111407872 842083869 /nfs/dbraw/zinc/08/38/69/842083869.db2.gz XTTYBVLMARMBSP-YJNKXOJESA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2)S(C)(=O)=O ZINC001111407872 842083857 /nfs/dbraw/zinc/08/38/57/842083857.db2.gz XTTYBVLMARMBSP-YJNKXOJESA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111407872 842083849 /nfs/dbraw/zinc/08/38/49/842083849.db2.gz XTTYBVLMARMBSP-YJNKXOJESA-N 2 1 358.508 -0.449 20 0 FBADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2)S(C)(=O)=O ZINC001111407872 842083836 /nfs/dbraw/zinc/08/38/36/842083836.db2.gz XTTYBVLMARMBSP-YJNKXOJESA-N 2 1 358.508 -0.449 20 0 FBADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408100 842084334 /nfs/dbraw/zinc/08/43/34/842084334.db2.gz IRUINLCURMJSTF-ZACQAIPSSA-N 2 1 352.479 -0.044 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408100 842084324 /nfs/dbraw/zinc/08/43/24/842084324.db2.gz IRUINLCURMJSTF-ZACQAIPSSA-N 2 1 352.479 -0.044 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408372 842084261 /nfs/dbraw/zinc/08/42/61/842084261.db2.gz VNEXWVYEECSFMD-TWMKSMIVSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408372 842084254 /nfs/dbraw/zinc/08/42/54/842084254.db2.gz VNEXWVYEECSFMD-TWMKSMIVSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408373 842082736 /nfs/dbraw/zinc/08/27/36/842082736.db2.gz VNEXWVYEECSFMD-VQHPVUNQSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408373 842082721 /nfs/dbraw/zinc/08/27/21/842082721.db2.gz VNEXWVYEECSFMD-VQHPVUNQSA-N 2 1 355.479 -0.172 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111411052 842085075 /nfs/dbraw/zinc/08/50/75/842085075.db2.gz GTLZEHHFONZCKJ-HZMVEIRTSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111411053 842084380 /nfs/dbraw/zinc/08/43/80/842084380.db2.gz GTLZEHHFONZCKJ-VQHPVUNQSA-N 2 1 355.479 -0.315 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001111466492 842405388 /nfs/dbraw/zinc/40/53/88/842405388.db2.gz XKHIJHYYGQWRGO-MCIONIFRSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111466492 842405381 /nfs/dbraw/zinc/40/53/81/842405381.db2.gz XKHIJHYYGQWRGO-MCIONIFRSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111466492 842405376 /nfs/dbraw/zinc/40/53/76/842405376.db2.gz XKHIJHYYGQWRGO-MCIONIFRSA-N 2 1 351.451 -0.400 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111466492 842405370 /nfs/dbraw/zinc/40/53/70/842405370.db2.gz XKHIJHYYGQWRGO-MCIONIFRSA-N 2 1 351.451 -0.400 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001111501727 839673661 /nfs/dbraw/zinc/67/36/61/839673661.db2.gz XMLRHSXRFFHXPD-KFWWJZLASA-N 2 1 369.491 -0.114 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)CC[NH+]1C ZINC001111752302 842790962 /nfs/dbraw/zinc/79/09/62/842790962.db2.gz JSDJLGKTHFLNNQ-ZHRONYKTSA-N 2 1 351.451 -0.508 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)CC[NH+]1C ZINC001111752302 842790960 /nfs/dbraw/zinc/79/09/60/842790960.db2.gz JSDJLGKTHFLNNQ-ZHRONYKTSA-N 2 1 351.451 -0.508 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)CC[N@H+]1C ZINC001111752302 842790957 /nfs/dbraw/zinc/79/09/57/842790957.db2.gz JSDJLGKTHFLNNQ-ZHRONYKTSA-N 2 1 351.451 -0.508 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)CC[N@@H+]1C ZINC001111752302 842790953 /nfs/dbraw/zinc/79/09/53/842790953.db2.gz JSDJLGKTHFLNNQ-ZHRONYKTSA-N 2 1 351.451 -0.508 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C3)CC[NH+]1C ZINC001111752588 842790818 /nfs/dbraw/zinc/79/08/18/842790818.db2.gz XQXTZNVWYHUUQO-DLTWYDFYSA-N 2 1 372.535 -0.154 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCNS(C)(=O)=O)C3)CC[NH+]1C ZINC001111752588 842790813 /nfs/dbraw/zinc/79/08/13/842790813.db2.gz XQXTZNVWYHUUQO-DLTWYDFYSA-N 2 1 372.535 -0.154 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCNS(C)(=O)=O)C3)CC[N@H+]1C ZINC001111752588 842790807 /nfs/dbraw/zinc/79/08/07/842790807.db2.gz XQXTZNVWYHUUQO-DLTWYDFYSA-N 2 1 372.535 -0.154 20 0 FBADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2)C1CCC1 ZINC001111779184 842795704 /nfs/dbraw/zinc/79/57/04/842795704.db2.gz YDWXGVKJRNAQEI-SJCJKPOMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2)C1CCC1 ZINC001111779184 842795699 /nfs/dbraw/zinc/79/56/99/842795699.db2.gz YDWXGVKJRNAQEI-SJCJKPOMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2)C1CCC1 ZINC001111779184 842795690 /nfs/dbraw/zinc/79/56/90/842795690.db2.gz YDWXGVKJRNAQEI-SJCJKPOMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2)C1CCC1 ZINC001111779184 842795678 /nfs/dbraw/zinc/79/56/78/842795678.db2.gz YDWXGVKJRNAQEI-SJCJKPOMSA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)O1 ZINC001111786980 842796818 /nfs/dbraw/zinc/79/68/18/842796818.db2.gz ULCYOFNSWWWUHT-HPFXQQBRSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)O1 ZINC001111786980 842796806 /nfs/dbraw/zinc/79/68/06/842796806.db2.gz ULCYOFNSWWWUHT-HPFXQQBRSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)O1 ZINC001111786980 842796795 /nfs/dbraw/zinc/79/67/95/842796795.db2.gz ULCYOFNSWWWUHT-HPFXQQBRSA-N 2 1 355.479 -0.315 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)O1 ZINC001111786980 842796785 /nfs/dbraw/zinc/79/67/85/842796785.db2.gz ULCYOFNSWWWUHT-HPFXQQBRSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2)[NH+](C)C ZINC001111788452 842797119 /nfs/dbraw/zinc/79/71/19/842797119.db2.gz CKFMOVYEIGPSSB-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2)[NH+](C)C ZINC001111788452 842797112 /nfs/dbraw/zinc/79/71/12/842797112.db2.gz CKFMOVYEIGPSSB-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2)[NH+](C)C ZINC001111789235 842797011 /nfs/dbraw/zinc/79/70/11/842797011.db2.gz HBPCKMIERGVJOV-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2)[NH+](C)C ZINC001111789235 842797003 /nfs/dbraw/zinc/79/70/03/842797003.db2.gz HBPCKMIERGVJOV-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854083 842805012 /nfs/dbraw/zinc/80/50/12/842805012.db2.gz JMSNMJLFILCAKU-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854084 842804349 /nfs/dbraw/zinc/80/43/49/842804349.db2.gz JMSNMJLFILCAKU-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)CC1 ZINC001111856027 842806788 /nfs/dbraw/zinc/80/67/88/842806788.db2.gz XVWYMHHQPVCHML-SJCJKPOMSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)CC1 ZINC001111856027 842806784 /nfs/dbraw/zinc/80/67/84/842806784.db2.gz XVWYMHHQPVCHML-SJCJKPOMSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001111857832 842806030 /nfs/dbraw/zinc/80/60/30/842806030.db2.gz AMDFDAGJZLVMHE-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857918 842806723 /nfs/dbraw/zinc/80/67/23/842806723.db2.gz FMNCZKKSXBHOJI-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857918 842806716 /nfs/dbraw/zinc/80/67/16/842806716.db2.gz FMNCZKKSXBHOJI-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)CC1 ZINC001111860011 842806985 /nfs/dbraw/zinc/80/69/85/842806985.db2.gz MINJYKDBQCLKEK-GUYCJALGSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)CC1 ZINC001111860011 842806979 /nfs/dbraw/zinc/80/69/79/842806979.db2.gz MINJYKDBQCLKEK-GUYCJALGSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111861282 842806555 /nfs/dbraw/zinc/80/65/55/842806555.db2.gz FNLKVEBDSIGRLV-YJBOKZPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001111861556 842806304 /nfs/dbraw/zinc/80/63/04/842806304.db2.gz SWXIQEJIZDXLBF-HOCLYGCPSA-N 2 1 360.524 -0.200 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861661 842806142 /nfs/dbraw/zinc/80/61/42/842806142.db2.gz YALHYKWBCJJRIX-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861661 842806137 /nfs/dbraw/zinc/80/61/37/842806137.db2.gz YALHYKWBCJJRIX-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862713 842808327 /nfs/dbraw/zinc/80/83/27/842808327.db2.gz ZWMZSRXLLVNNEF-BQFCYCMXSA-N 2 1 357.495 -0.067 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862714 842808643 /nfs/dbraw/zinc/80/86/43/842808643.db2.gz ZWMZSRXLLVNNEF-JZXOWHBKSA-N 2 1 357.495 -0.067 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864543 842807769 /nfs/dbraw/zinc/80/77/69/842807769.db2.gz VZNYBOQNVWDQDM-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864567 842808559 /nfs/dbraw/zinc/80/85/59/842808559.db2.gz WVHQPCXPSAYRGA-DCGLDWPTSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864568 842808843 /nfs/dbraw/zinc/80/88/43/842808843.db2.gz WVHQPCXPSAYRGA-IGCXYCKISA-N 2 1 353.467 -0.247 20 0 FBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001111864596 842807673 /nfs/dbraw/zinc/80/76/73/842807673.db2.gz XUMGRZXWIDGOHG-GUYCJALGSA-N 2 1 351.451 -0.539 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111870587 842807906 /nfs/dbraw/zinc/80/79/06/842807906.db2.gz FJECCOQZQKEJTH-DCGLDWPTSA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111870587 842807895 /nfs/dbraw/zinc/80/78/95/842807895.db2.gz FJECCOQZQKEJTH-DCGLDWPTSA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111870587 842807884 /nfs/dbraw/zinc/80/78/84/842807884.db2.gz FJECCOQZQKEJTH-DCGLDWPTSA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111870587 842807874 /nfs/dbraw/zinc/80/78/74/842807874.db2.gz FJECCOQZQKEJTH-DCGLDWPTSA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111870588 842808914 /nfs/dbraw/zinc/80/89/14/842808914.db2.gz FJECCOQZQKEJTH-IGCXYCKISA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111870588 842808909 /nfs/dbraw/zinc/80/89/09/842808909.db2.gz FJECCOQZQKEJTH-IGCXYCKISA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111870588 842808906 /nfs/dbraw/zinc/80/89/06/842808906.db2.gz FJECCOQZQKEJTH-IGCXYCKISA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111870588 842808901 /nfs/dbraw/zinc/80/89/01/842808901.db2.gz FJECCOQZQKEJTH-IGCXYCKISA-N 2 1 351.451 -0.364 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111870900 842809075 /nfs/dbraw/zinc/80/90/75/842809075.db2.gz RMXAHASGTIMAIH-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111870900 842809068 /nfs/dbraw/zinc/80/90/68/842809068.db2.gz RMXAHASGTIMAIH-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111870900 842809060 /nfs/dbraw/zinc/80/90/60/842809060.db2.gz RMXAHASGTIMAIH-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111870900 842809052 /nfs/dbraw/zinc/80/90/52/842809052.db2.gz RMXAHASGTIMAIH-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111870901 842807745 /nfs/dbraw/zinc/80/77/45/842807745.db2.gz RMXAHASGTIMAIH-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111870901 842807739 /nfs/dbraw/zinc/80/77/39/842807739.db2.gz RMXAHASGTIMAIH-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111870901 842807730 /nfs/dbraw/zinc/80/77/30/842807730.db2.gz RMXAHASGTIMAIH-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111870901 842807723 /nfs/dbraw/zinc/80/77/23/842807723.db2.gz RMXAHASGTIMAIH-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2)[NH+](C)C ZINC001111874870 842808178 /nfs/dbraw/zinc/80/81/78/842808178.db2.gz CKFMOVYEIGPSSB-DZKIICNBSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2)[NH+](C)C ZINC001111874870 842808169 /nfs/dbraw/zinc/80/81/69/842808169.db2.gz CKFMOVYEIGPSSB-DZKIICNBSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2)[NH+](C)C ZINC001111874926 842808733 /nfs/dbraw/zinc/80/87/33/842808733.db2.gz HBPCKMIERGVJOV-DCGLDWPTSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2)[NH+](C)C ZINC001111874926 842808727 /nfs/dbraw/zinc/80/87/27/842808727.db2.gz HBPCKMIERGVJOV-DCGLDWPTSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H](COCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)[NH+]1CCCC1 ZINC001111876319 842808359 /nfs/dbraw/zinc/80/83/59/842808359.db2.gz XZIRWWPANATXDX-MPGHIAIKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@@H](COCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)[NH+]1CCCC1 ZINC001111876319 842808349 /nfs/dbraw/zinc/80/83/49/842808349.db2.gz XZIRWWPANATXDX-MPGHIAIKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H](COCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)[NH+]1CCCC1 ZINC001111876321 842808800 /nfs/dbraw/zinc/80/88/00/842808800.db2.gz XZIRWWPANATXDX-VKJFTORMSA-N 2 1 352.479 -0.057 20 0 FBADMP C[C@H](COCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)[NH+]1CCCC1 ZINC001111876321 842808792 /nfs/dbraw/zinc/80/87/92/842808792.db2.gz XZIRWWPANATXDX-VKJFTORMSA-N 2 1 352.479 -0.057 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905411 842811505 /nfs/dbraw/zinc/81/15/05/842811505.db2.gz BDJAZHOQGMREEY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905411 842811497 /nfs/dbraw/zinc/81/14/97/842811497.db2.gz BDJAZHOQGMREEY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CCN2CCOCC2)C1 ZINC001111905411 842811489 /nfs/dbraw/zinc/81/14/89/842811489.db2.gz BDJAZHOQGMREEY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN2CCOCC2)C1 ZINC001111905411 842811485 /nfs/dbraw/zinc/81/14/85/842811485.db2.gz BDJAZHOQGMREEY-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905419 842814230 /nfs/dbraw/zinc/81/42/30/842814230.db2.gz BDJAZHOQGMREEY-VKJFTORMSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905419 842814226 /nfs/dbraw/zinc/81/42/26/842814226.db2.gz BDJAZHOQGMREEY-VKJFTORMSA-N 2 1 352.479 -0.186 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111905466 842814011 /nfs/dbraw/zinc/81/40/11/842814011.db2.gz CSQNTJSOUQSSPC-WMZOPIPTSA-N 2 1 355.479 -0.312 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111905466 842814008 /nfs/dbraw/zinc/81/40/08/842814008.db2.gz CSQNTJSOUQSSPC-WMZOPIPTSA-N 2 1 355.479 -0.312 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905499 842814198 /nfs/dbraw/zinc/81/41/98/842814198.db2.gz FMFRVTNLEJJCFE-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905499 842814190 /nfs/dbraw/zinc/81/41/90/842814190.db2.gz FMFRVTNLEJJCFE-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905500 842814172 /nfs/dbraw/zinc/81/41/72/842814172.db2.gz FMFRVTNLEJJCFE-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905500 842814166 /nfs/dbraw/zinc/81/41/66/842814166.db2.gz FMFRVTNLEJJCFE-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111905975 842813018 /nfs/dbraw/zinc/81/30/18/842813018.db2.gz PJONQZFKZXIAQX-DAYGRLMNSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111905975 842813010 /nfs/dbraw/zinc/81/30/10/842813010.db2.gz PJONQZFKZXIAQX-DAYGRLMNSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111905976 842813406 /nfs/dbraw/zinc/81/34/06/842813406.db2.gz PJONQZFKZXIAQX-MPGHIAIKSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111905976 842813399 /nfs/dbraw/zinc/81/33/99/842813399.db2.gz PJONQZFKZXIAQX-MPGHIAIKSA-N 2 1 350.463 -0.432 20 0 FBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905987 842812949 /nfs/dbraw/zinc/81/29/49/842812949.db2.gz PUMXPFZYLFKAML-DAYGRLMNSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905987 842812940 /nfs/dbraw/zinc/81/29/40/842812940.db2.gz PUMXPFZYLFKAML-DAYGRLMNSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905988 842813245 /nfs/dbraw/zinc/81/32/45/842813245.db2.gz PUMXPFZYLFKAML-MPGHIAIKSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905988 842813238 /nfs/dbraw/zinc/81/32/38/842813238.db2.gz PUMXPFZYLFKAML-MPGHIAIKSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111907711 842813330 /nfs/dbraw/zinc/81/33/30/842813330.db2.gz IMOSLEUDQFLBAI-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111907712 842813898 /nfs/dbraw/zinc/81/38/98/842813898.db2.gz IMOSLEUDQFLBAI-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2 ZINC001111908859 842813652 /nfs/dbraw/zinc/81/36/52/842813652.db2.gz VNAVMTJSVYRAKH-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2 ZINC001111908859 842813638 /nfs/dbraw/zinc/81/36/38/842813638.db2.gz VNAVMTJSVYRAKH-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001111909668 842813117 /nfs/dbraw/zinc/81/31/17/842813117.db2.gz ITPXIOCZBTZFSC-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001111909668 842813111 /nfs/dbraw/zinc/81/31/11/842813111.db2.gz ITPXIOCZBTZFSC-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916853 842815145 /nfs/dbraw/zinc/81/51/45/842815145.db2.gz HDZADMPNDWTAMT-DEYYWGMASA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916855 842815050 /nfs/dbraw/zinc/81/50/50/842815050.db2.gz HDZADMPNDWTAMT-GLJUWKHASA-N 2 1 352.479 -0.058 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917417 842816305 /nfs/dbraw/zinc/81/63/05/842816305.db2.gz ZLUZLDYOLGOSSA-KSSFIOAISA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917417 842816297 /nfs/dbraw/zinc/81/62/97/842816297.db2.gz ZLUZLDYOLGOSSA-KSSFIOAISA-N 2 1 352.479 -0.186 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001111925871 842814839 /nfs/dbraw/zinc/81/48/39/842814839.db2.gz NPCDNNDNPDGQND-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001111925871 842814831 /nfs/dbraw/zinc/81/48/31/842814831.db2.gz NPCDNNDNPDGQND-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001111925871 842814825 /nfs/dbraw/zinc/81/48/25/842814825.db2.gz NPCDNNDNPDGQND-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111926149 842814935 /nfs/dbraw/zinc/81/49/35/842814935.db2.gz ZUMDJGXEOWPQMM-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111926149 842814928 /nfs/dbraw/zinc/81/49/28/842814928.db2.gz ZUMDJGXEOWPQMM-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111926149 842814919 /nfs/dbraw/zinc/81/49/19/842814919.db2.gz ZUMDJGXEOWPQMM-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111926150 842815351 /nfs/dbraw/zinc/81/53/51/842815351.db2.gz ZUMDJGXEOWPQMM-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111926150 842815343 /nfs/dbraw/zinc/81/53/43/842815343.db2.gz ZUMDJGXEOWPQMM-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111926150 842815337 /nfs/dbraw/zinc/81/53/37/842815337.db2.gz ZUMDJGXEOWPQMM-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2 ZINC001111926753 842816099 /nfs/dbraw/zinc/81/60/99/842816099.db2.gz GZCDRHISUNCAGZ-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2 ZINC001111926753 842816091 /nfs/dbraw/zinc/81/60/91/842816091.db2.gz GZCDRHISUNCAGZ-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111926753 842816087 /nfs/dbraw/zinc/81/60/87/842816087.db2.gz GZCDRHISUNCAGZ-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111926753 842816079 /nfs/dbraw/zinc/81/60/79/842816079.db2.gz GZCDRHISUNCAGZ-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111937950 842816854 /nfs/dbraw/zinc/81/68/54/842816854.db2.gz DDTCSJAFWFMZRK-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111937950 842816849 /nfs/dbraw/zinc/81/68/49/842816849.db2.gz DDTCSJAFWFMZRK-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111937950 842816843 /nfs/dbraw/zinc/81/68/43/842816843.db2.gz DDTCSJAFWFMZRK-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111937950 842816839 /nfs/dbraw/zinc/81/68/39/842816839.db2.gz DDTCSJAFWFMZRK-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111937951 842817379 /nfs/dbraw/zinc/81/73/79/842817379.db2.gz DDTCSJAFWFMZRK-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111937951 842817373 /nfs/dbraw/zinc/81/73/73/842817373.db2.gz DDTCSJAFWFMZRK-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111937951 842817365 /nfs/dbraw/zinc/81/73/65/842817365.db2.gz DDTCSJAFWFMZRK-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111937951 842817357 /nfs/dbraw/zinc/81/73/57/842817357.db2.gz DDTCSJAFWFMZRK-IGCXYCKISA-N 2 1 351.451 -0.506 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937952 842817320 /nfs/dbraw/zinc/81/73/20/842817320.db2.gz DDZOQZPFSQFIPJ-YOEHRIQHSA-N 2 1 370.519 -0.398 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111938186 842816659 /nfs/dbraw/zinc/81/66/59/842816659.db2.gz OXWKGEOBDYBTLN-DAYGRLMNSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111938187 842817630 /nfs/dbraw/zinc/81/76/30/842817630.db2.gz OXWKGEOBDYBTLN-MPGHIAIKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111938236 842816719 /nfs/dbraw/zinc/81/67/19/842816719.db2.gz RXNAEJQLOINRPO-KSSFIOAISA-N 2 1 352.479 -0.186 20 0 FBADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938241 842817235 /nfs/dbraw/zinc/81/72/35/842817235.db2.gz SDMYJAZBPYFPIG-YOEHRIQHSA-N 2 1 350.467 -0.136 20 0 FBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938241 842817226 /nfs/dbraw/zinc/81/72/26/842817226.db2.gz SDMYJAZBPYFPIG-YOEHRIQHSA-N 2 1 350.467 -0.136 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111938272 842817518 /nfs/dbraw/zinc/81/75/18/842817518.db2.gz UBHWWYYXXAKURD-YJBOKZPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939796 836043731 /nfs/dbraw/zinc/04/37/31/836043731.db2.gz SWUKREAOPLJMCS-DAYGRLMNSA-N 2 1 352.479 -0.234 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939797 836043666 /nfs/dbraw/zinc/04/36/66/836043666.db2.gz SWUKREAOPLJMCS-MPGHIAIKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111939888 836043785 /nfs/dbraw/zinc/04/37/85/836043785.db2.gz YGSPVWKORMGHOF-RDJZCZTQSA-N 2 1 350.467 -0.173 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111947542 836044547 /nfs/dbraw/zinc/04/45/47/836044547.db2.gz OATZNRXXQVOPJL-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111947542 836044539 /nfs/dbraw/zinc/04/45/39/836044539.db2.gz OATZNRXXQVOPJL-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111949391 842818628 /nfs/dbraw/zinc/81/86/28/842818628.db2.gz BYFAWNLJCWSTBL-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111949391 842818624 /nfs/dbraw/zinc/81/86/24/842818624.db2.gz BYFAWNLJCWSTBL-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111949391 842818620 /nfs/dbraw/zinc/81/86/20/842818620.db2.gz BYFAWNLJCWSTBL-DCGLDWPTSA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111949392 842818414 /nfs/dbraw/zinc/81/84/14/842818414.db2.gz BYFAWNLJCWSTBL-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111949392 842818405 /nfs/dbraw/zinc/81/84/05/842818405.db2.gz BYFAWNLJCWSTBL-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111949392 842818396 /nfs/dbraw/zinc/81/83/96/842818396.db2.gz BYFAWNLJCWSTBL-IGCXYCKISA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111950975 842818011 /nfs/dbraw/zinc/81/80/11/842818011.db2.gz MTPQPZZUWHTCFX-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111950975 842818000 /nfs/dbraw/zinc/81/80/00/842818000.db2.gz MTPQPZZUWHTCFX-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111950975 842817988 /nfs/dbraw/zinc/81/79/88/842817988.db2.gz MTPQPZZUWHTCFX-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111950975 842817983 /nfs/dbraw/zinc/81/79/83/842817983.db2.gz MTPQPZZUWHTCFX-GUYCJALGSA-N 2 1 353.467 -0.116 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001111952562 842818771 /nfs/dbraw/zinc/81/87/71/842818771.db2.gz OEFQNPVLEXWALA-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001111952562 842818769 /nfs/dbraw/zinc/81/87/69/842818769.db2.gz OEFQNPVLEXWALA-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001111952562 842818767 /nfs/dbraw/zinc/81/87/67/842818767.db2.gz OEFQNPVLEXWALA-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001111952562 842818764 /nfs/dbraw/zinc/81/87/64/842818764.db2.gz OEFQNPVLEXWALA-HOCLYGCPSA-N 2 1 360.524 -0.152 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2 ZINC001111952665 842818680 /nfs/dbraw/zinc/81/86/80/842818680.db2.gz UJEBZQBIXHROCA-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2 ZINC001111952665 842818673 /nfs/dbraw/zinc/81/86/73/842818673.db2.gz UJEBZQBIXHROCA-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111952665 842818668 /nfs/dbraw/zinc/81/86/68/842818668.db2.gz UJEBZQBIXHROCA-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111952665 842818663 /nfs/dbraw/zinc/81/86/63/842818663.db2.gz UJEBZQBIXHROCA-GUYCJALGSA-N 2 1 353.467 -0.246 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983616 842821686 /nfs/dbraw/zinc/82/16/86/842821686.db2.gz NKRGYJCINCMZRG-DCGLDWPTSA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983616 842821680 /nfs/dbraw/zinc/82/16/80/842821680.db2.gz NKRGYJCINCMZRG-DCGLDWPTSA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983616 842821672 /nfs/dbraw/zinc/82/16/72/842821672.db2.gz NKRGYJCINCMZRG-DCGLDWPTSA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983616 842821666 /nfs/dbraw/zinc/82/16/66/842821666.db2.gz NKRGYJCINCMZRG-DCGLDWPTSA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983618 842821156 /nfs/dbraw/zinc/82/11/56/842821156.db2.gz NKRGYJCINCMZRG-IGCXYCKISA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983618 842821147 /nfs/dbraw/zinc/82/11/47/842821147.db2.gz NKRGYJCINCMZRG-IGCXYCKISA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983618 842821133 /nfs/dbraw/zinc/82/11/33/842821133.db2.gz NKRGYJCINCMZRG-IGCXYCKISA-N 2 1 351.451 -0.636 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983618 842821123 /nfs/dbraw/zinc/82/11/23/842821123.db2.gz NKRGYJCINCMZRG-IGCXYCKISA-N 2 1 351.451 -0.636 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111995993 842822964 /nfs/dbraw/zinc/82/29/64/842822964.db2.gz FVPORGRXMSRDSQ-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111995993 842822959 /nfs/dbraw/zinc/82/29/59/842822959.db2.gz FVPORGRXMSRDSQ-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111995993 842822955 /nfs/dbraw/zinc/82/29/55/842822955.db2.gz FVPORGRXMSRDSQ-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111995993 842822953 /nfs/dbraw/zinc/82/29/53/842822953.db2.gz FVPORGRXMSRDSQ-BQFCYCMXSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111995994 842823201 /nfs/dbraw/zinc/82/32/01/842823201.db2.gz FVPORGRXMSRDSQ-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111995994 842823191 /nfs/dbraw/zinc/82/31/91/842823191.db2.gz FVPORGRXMSRDSQ-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111995994 842823179 /nfs/dbraw/zinc/82/31/79/842823179.db2.gz FVPORGRXMSRDSQ-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111995994 842823168 /nfs/dbraw/zinc/82/31/68/842823168.db2.gz FVPORGRXMSRDSQ-JZXOWHBKSA-N 2 1 355.479 -0.313 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001112005146 842822609 /nfs/dbraw/zinc/82/26/09/842822609.db2.gz XEKKAXIKCGLESZ-DCGLDWPTSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001112005146 842822600 /nfs/dbraw/zinc/82/26/00/842822600.db2.gz XEKKAXIKCGLESZ-DCGLDWPTSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001112005146 842822589 /nfs/dbraw/zinc/82/25/89/842822589.db2.gz XEKKAXIKCGLESZ-DCGLDWPTSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001112005148 842822806 /nfs/dbraw/zinc/82/28/06/842822806.db2.gz XEKKAXIKCGLESZ-IGCXYCKISA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001112005148 842822800 /nfs/dbraw/zinc/82/28/00/842822800.db2.gz XEKKAXIKCGLESZ-IGCXYCKISA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001112005148 842822789 /nfs/dbraw/zinc/82/27/89/842822789.db2.gz XEKKAXIKCGLESZ-IGCXYCKISA-N 2 1 353.467 -0.119 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009460 836050499 /nfs/dbraw/zinc/05/04/99/836050499.db2.gz DKHMUWJYALJGHD-GUYCJALGSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009460 836050486 /nfs/dbraw/zinc/05/04/86/836050486.db2.gz DKHMUWJYALJGHD-GUYCJALGSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009460 836050473 /nfs/dbraw/zinc/05/04/73/836050473.db2.gz DKHMUWJYALJGHD-GUYCJALGSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009460 836050468 /nfs/dbraw/zinc/05/04/68/836050468.db2.gz DKHMUWJYALJGHD-GUYCJALGSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001112009605 842823385 /nfs/dbraw/zinc/82/33/85/842823385.db2.gz LDFPQRYDAFSHSG-HOCLYGCPSA-N 2 1 360.524 -0.154 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001112009605 842823378 /nfs/dbraw/zinc/82/33/78/842823378.db2.gz LDFPQRYDAFSHSG-HOCLYGCPSA-N 2 1 360.524 -0.154 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001112009605 842823368 /nfs/dbraw/zinc/82/33/68/842823368.db2.gz LDFPQRYDAFSHSG-HOCLYGCPSA-N 2 1 360.524 -0.154 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001112009605 842823359 /nfs/dbraw/zinc/82/33/59/842823359.db2.gz LDFPQRYDAFSHSG-HOCLYGCPSA-N 2 1 360.524 -0.154 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112071051 842830707 /nfs/dbraw/zinc/83/07/07/842830707.db2.gz OZOVIWVCZQBGLN-BBBLOLIVSA-N 2 1 365.356 -0.746 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112071051 842830694 /nfs/dbraw/zinc/83/06/94/842830694.db2.gz OZOVIWVCZQBGLN-BBBLOLIVSA-N 2 1 365.356 -0.746 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112071052 842831131 /nfs/dbraw/zinc/83/11/31/842831131.db2.gz OZOVIWVCZQBGLN-OPRDCNLKSA-N 2 1 365.356 -0.746 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112071052 842831124 /nfs/dbraw/zinc/83/11/24/842831124.db2.gz OZOVIWVCZQBGLN-OPRDCNLKSA-N 2 1 365.356 -0.746 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001112120170 842846257 /nfs/dbraw/zinc/84/62/57/842846257.db2.gz GVPHALZKUVIVPE-OPRDCNLKSA-N 2 1 367.372 -0.500 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112154456 842852059 /nfs/dbraw/zinc/85/20/59/842852059.db2.gz MWBQJDJPGYLECZ-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)NC(N)=O ZINC001112158908 836246785 /nfs/dbraw/zinc/24/67/85/836246785.db2.gz DHRIDLRASINLGJ-IVZWLZJFSA-N 2 1 367.372 -0.500 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)NC(N)=O ZINC001112158909 836246710 /nfs/dbraw/zinc/24/67/10/836246710.db2.gz DHRIDLRASINLGJ-OPRDCNLKSA-N 2 1 367.372 -0.500 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159897 836248617 /nfs/dbraw/zinc/24/86/17/836248617.db2.gz GOQLGFQHVACCMU-NXEZZACHSA-N 2 1 367.372 -0.627 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112160155 836250683 /nfs/dbraw/zinc/25/06/83/836250683.db2.gz VHUIMSHONKNRBW-GHMZBOCLSA-N 2 1 359.414 -0.038 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112160181 842851731 /nfs/dbraw/zinc/85/17/31/842851731.db2.gz WWVNKYABMIWNJA-RKDXNWHRSA-N 2 1 353.345 -0.888 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001112167170 842854003 /nfs/dbraw/zinc/85/40/03/842854003.db2.gz GVPHALZKUVIVPE-BBBLOLIVSA-N 2 1 367.372 -0.500 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112182096 842856851 /nfs/dbraw/zinc/85/68/51/842856851.db2.gz OKAATGUQAUHUNW-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112190168 842858181 /nfs/dbraw/zinc/85/81/81/842858181.db2.gz OGWDGDYFTNRBQE-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112190168 842858174 /nfs/dbraw/zinc/85/81/74/842858174.db2.gz OGWDGDYFTNRBQE-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112193914 842859974 /nfs/dbraw/zinc/85/99/74/842859974.db2.gz ASNBLISNMXEARB-GMTAPVOTSA-N 2 1 354.373 -0.583 20 0 FBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112193915 842859285 /nfs/dbraw/zinc/85/92/85/842859285.db2.gz ASNBLISNMXEARB-HBNTYKKESA-N 2 1 354.373 -0.583 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193930 836409364 /nfs/dbraw/zinc/40/93/64/836409364.db2.gz BINRZIGZMSMIIC-GHMZBOCLSA-N 2 1 354.373 -0.711 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193932 836409609 /nfs/dbraw/zinc/40/96/09/836409609.db2.gz BRXQSZLYYGMWGC-VXGBXAGGSA-N 2 1 368.400 -0.320 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194043 842860026 /nfs/dbraw/zinc/86/00/26/842860026.db2.gz JEVPZGIKCMHRTG-VXGBXAGGSA-N 2 1 368.400 -0.368 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112194203 842859016 /nfs/dbraw/zinc/85/90/16/842859016.db2.gz SALODWBVBYCQNK-GRYCIOLGSA-N 2 1 366.384 -0.568 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112194204 842860160 /nfs/dbraw/zinc/86/01/60/842860160.db2.gz SALODWBVBYCQNK-IJLUTSLNSA-N 2 1 366.384 -0.568 20 0 FBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194335 836409756 /nfs/dbraw/zinc/40/97/56/836409756.db2.gz ZMLRFFJQIPKTGJ-IJLUTSLNSA-N 2 1 368.400 -0.322 20 0 FBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194336 836409715 /nfs/dbraw/zinc/40/97/15/836409715.db2.gz ZMLRFFJQIPKTGJ-QJPTWQEYSA-N 2 1 368.400 -0.322 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112198171 842859530 /nfs/dbraw/zinc/85/95/30/842859530.db2.gz FHXOZEZCURSIMH-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112198171 842859515 /nfs/dbraw/zinc/85/95/15/842859515.db2.gz FHXOZEZCURSIMH-NXEZZACHSA-N 2 1 367.372 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112205876 842862567 /nfs/dbraw/zinc/86/25/67/842862567.db2.gz CVKYKJUZMBWBSU-IJLUTSLNSA-N 2 1 371.425 -0.038 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112205876 842862562 /nfs/dbraw/zinc/86/25/62/842862562.db2.gz CVKYKJUZMBWBSU-IJLUTSLNSA-N 2 1 371.425 -0.038 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112205878 842862592 /nfs/dbraw/zinc/86/25/92/842862592.db2.gz CVKYKJUZMBWBSU-QJPTWQEYSA-N 2 1 371.425 -0.038 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112205878 842862589 /nfs/dbraw/zinc/86/25/89/842862589.db2.gz CVKYKJUZMBWBSU-QJPTWQEYSA-N 2 1 371.425 -0.038 20 0 FBADMP NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206130 842863236 /nfs/dbraw/zinc/86/32/36/842863236.db2.gz ISRQMQYGHCJAFV-NXEZZACHSA-N 2 1 365.356 -0.744 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112206313 842862277 /nfs/dbraw/zinc/86/22/77/842862277.db2.gz NAMGAXCTBCYNBF-JHJVBQTASA-N 2 1 353.385 -0.074 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112206316 842863251 /nfs/dbraw/zinc/86/32/51/842863251.db2.gz NAMGAXCTBCYNBF-YNEHKIRRSA-N 2 1 353.385 -0.074 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112206565 842862142 /nfs/dbraw/zinc/86/21/42/842862142.db2.gz UUKFBCWFGQWKHK-IVZWLZJFSA-N 2 1 365.356 -0.888 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112206565 842862135 /nfs/dbraw/zinc/86/21/35/842862135.db2.gz UUKFBCWFGQWKHK-IVZWLZJFSA-N 2 1 365.356 -0.888 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112206566 842862963 /nfs/dbraw/zinc/86/29/63/842862963.db2.gz UUKFBCWFGQWKHK-OPRDCNLKSA-N 2 1 365.356 -0.888 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112206566 842862953 /nfs/dbraw/zinc/86/29/53/842862953.db2.gz UUKFBCWFGQWKHK-OPRDCNLKSA-N 2 1 365.356 -0.888 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112212324 836428170 /nfs/dbraw/zinc/42/81/70/836428170.db2.gz ZKGZQGKRWQSRTF-NXEZZACHSA-N 2 1 367.372 -0.500 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112212324 836428167 /nfs/dbraw/zinc/42/81/67/836428167.db2.gz ZKGZQGKRWQSRTF-NXEZZACHSA-N 2 1 367.372 -0.500 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112285058 842868678 /nfs/dbraw/zinc/86/86/78/842868678.db2.gz KKRSYWJDAJEPDJ-AHIWAGSCSA-N 2 1 351.451 -0.506 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112285059 842868915 /nfs/dbraw/zinc/86/89/15/842868915.db2.gz KKRSYWJDAJEPDJ-DCGLDWPTSA-N 2 1 351.451 -0.506 20 0 FBADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291536 842869674 /nfs/dbraw/zinc/86/96/74/842869674.db2.gz PADZNSBCBIWTAG-DAYGRLMNSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291536 842869667 /nfs/dbraw/zinc/86/96/67/842869667.db2.gz PADZNSBCBIWTAG-DAYGRLMNSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291537 842869837 /nfs/dbraw/zinc/86/98/37/842869837.db2.gz PADZNSBCBIWTAG-MPGHIAIKSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291537 842869826 /nfs/dbraw/zinc/86/98/26/842869826.db2.gz PADZNSBCBIWTAG-MPGHIAIKSA-N 2 1 352.479 -0.377 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112291673 842869756 /nfs/dbraw/zinc/86/97/56/842869756.db2.gz UMPFIADWYZEZCG-BQFCYCMXSA-N 2 1 355.479 -0.456 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112291673 842869748 /nfs/dbraw/zinc/86/97/48/842869748.db2.gz UMPFIADWYZEZCG-BQFCYCMXSA-N 2 1 355.479 -0.456 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112291674 842869552 /nfs/dbraw/zinc/86/95/52/842869552.db2.gz UMPFIADWYZEZCG-JZXOWHBKSA-N 2 1 355.479 -0.456 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112291674 842869537 /nfs/dbraw/zinc/86/95/37/842869537.db2.gz UMPFIADWYZEZCG-JZXOWHBKSA-N 2 1 355.479 -0.456 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291827 842869889 /nfs/dbraw/zinc/86/98/89/842869889.db2.gz ZVGXGVWSDODGFL-DAYGRLMNSA-N 2 1 352.479 -0.329 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291827 842869880 /nfs/dbraw/zinc/86/98/80/842869880.db2.gz ZVGXGVWSDODGFL-DAYGRLMNSA-N 2 1 352.479 -0.329 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291828 842870126 /nfs/dbraw/zinc/87/01/26/842870126.db2.gz ZVGXGVWSDODGFL-MPGHIAIKSA-N 2 1 352.479 -0.329 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291828 842870123 /nfs/dbraw/zinc/87/01/23/842870123.db2.gz ZVGXGVWSDODGFL-MPGHIAIKSA-N 2 1 352.479 -0.329 20 0 FBADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112424119 842874953 /nfs/dbraw/zinc/87/49/53/842874953.db2.gz QZCZNWDBVJALBM-FSZRXZPDSA-N 2 1 352.479 -0.330 20 0 FBADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112424119 842874947 /nfs/dbraw/zinc/87/49/47/842874947.db2.gz QZCZNWDBVJALBM-FSZRXZPDSA-N 2 1 352.479 -0.330 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112516250 836033954 /nfs/dbraw/zinc/03/39/54/836033954.db2.gz AKEUTQREIPDSNM-DAYGRLMNSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112516250 836033947 /nfs/dbraw/zinc/03/39/47/836033947.db2.gz AKEUTQREIPDSNM-DAYGRLMNSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112516251 836034715 /nfs/dbraw/zinc/03/47/15/836034715.db2.gz AKEUTQREIPDSNM-MPGHIAIKSA-N 2 1 352.479 -0.201 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112516251 836034704 /nfs/dbraw/zinc/03/47/04/836034704.db2.gz AKEUTQREIPDSNM-MPGHIAIKSA-N 2 1 352.479 -0.201 20 0 FBADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2)C(N)=O ZINC001112545735 839464875 /nfs/dbraw/zinc/46/48/75/839464875.db2.gz ALHCTNSMBKQFJJ-MPGHIAIKSA-N 2 1 352.479 -0.199 20 0 FBADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2)C(N)=O ZINC001112545736 839464857 /nfs/dbraw/zinc/46/48/57/839464857.db2.gz ALHCTNSMBKQFJJ-VKJFTORMSA-N 2 1 352.479 -0.199 20 0 FBADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545964 839464474 /nfs/dbraw/zinc/46/44/74/839464474.db2.gz MXDODDOINJBCJA-YJBOKZPZSA-N 2 1 352.479 -0.327 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112557690 839465906 /nfs/dbraw/zinc/46/59/06/839465906.db2.gz SNHHKDIOAMBGSZ-GUYCJALGSA-N 2 1 353.467 -0.259 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112567620 839466824 /nfs/dbraw/zinc/46/68/24/839466824.db2.gz ZJSKUJSMRTVYCU-GUYCJALGSA-N 2 1 353.467 -0.259 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112578474 839469287 /nfs/dbraw/zinc/46/92/87/839469287.db2.gz QBVCPBHUULSSIJ-DCGLDWPTSA-N 2 1 351.451 -0.649 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112578475 839468689 /nfs/dbraw/zinc/46/86/89/839468689.db2.gz QBVCPBHUULSSIJ-IGCXYCKISA-N 2 1 351.451 -0.649 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)C1 ZINC001112583167 839470434 /nfs/dbraw/zinc/47/04/34/839470434.db2.gz HJIDHXPFLCXRQX-DAYGRLMNSA-N 2 1 352.479 -0.329 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)C1 ZINC001112583167 839470431 /nfs/dbraw/zinc/47/04/31/839470431.db2.gz HJIDHXPFLCXRQX-DAYGRLMNSA-N 2 1 352.479 -0.329 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)C1 ZINC001112583168 839470289 /nfs/dbraw/zinc/47/02/89/839470289.db2.gz HJIDHXPFLCXRQX-MPGHIAIKSA-N 2 1 352.479 -0.329 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)C1 ZINC001112583168 839470284 /nfs/dbraw/zinc/47/02/84/839470284.db2.gz HJIDHXPFLCXRQX-MPGHIAIKSA-N 2 1 352.479 -0.329 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112585627 839469952 /nfs/dbraw/zinc/46/99/52/839469952.db2.gz JFJOIYGVOXCZCF-GUYCJALGSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001112865844 839476223 /nfs/dbraw/zinc/47/62/23/839476223.db2.gz CSFODLFZPFVSST-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001112865844 839476220 /nfs/dbraw/zinc/47/62/20/839476220.db2.gz CSFODLFZPFVSST-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001112865845 839476692 /nfs/dbraw/zinc/47/66/92/839476692.db2.gz CSFODLFZPFVSST-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001112865845 839476669 /nfs/dbraw/zinc/47/66/69/839476669.db2.gz CSFODLFZPFVSST-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CC(C)COC[C@H](O)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113008594 839478051 /nfs/dbraw/zinc/47/80/51/839478051.db2.gz WGLMYXFVDIGFOZ-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)COC[C@@H](O)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113008595 839477614 /nfs/dbraw/zinc/47/76/14/839477614.db2.gz WGLMYXFVDIGFOZ-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298088 839498429 /nfs/dbraw/zinc/49/84/29/839498429.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 2 1 352.479 -0.474 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298088 839498423 /nfs/dbraw/zinc/49/84/23/839498423.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 2 1 352.479 -0.474 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298088 839498416 /nfs/dbraw/zinc/49/84/16/839498416.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 2 1 352.479 -0.474 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298374 839498347 /nfs/dbraw/zinc/49/83/47/839498347.db2.gz JKJYUQHNGZDNIS-NTASLKFISA-N 2 1 351.451 -0.781 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298374 839498339 /nfs/dbraw/zinc/49/83/39/839498339.db2.gz JKJYUQHNGZDNIS-NTASLKFISA-N 2 1 351.451 -0.781 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298374 839498336 /nfs/dbraw/zinc/49/83/36/839498336.db2.gz JKJYUQHNGZDNIS-NTASLKFISA-N 2 1 351.451 -0.781 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298374 839498327 /nfs/dbraw/zinc/49/83/27/839498327.db2.gz JKJYUQHNGZDNIS-NTASLKFISA-N 2 1 351.451 -0.781 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298658 839498301 /nfs/dbraw/zinc/49/83/01/839498301.db2.gz ORAOFPPSYWGHMV-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298658 839498294 /nfs/dbraw/zinc/49/82/94/839498294.db2.gz ORAOFPPSYWGHMV-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298658 839498287 /nfs/dbraw/zinc/49/82/87/839498287.db2.gz ORAOFPPSYWGHMV-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298658 839498279 /nfs/dbraw/zinc/49/82/79/839498279.db2.gz ORAOFPPSYWGHMV-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114298717 839498540 /nfs/dbraw/zinc/49/85/40/839498540.db2.gz PWYKXGBXYZMAGP-ZSAUSMIDSA-N 2 1 358.508 -0.736 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114298717 839498539 /nfs/dbraw/zinc/49/85/39/839498539.db2.gz PWYKXGBXYZMAGP-ZSAUSMIDSA-N 2 1 358.508 -0.736 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001114298717 839498536 /nfs/dbraw/zinc/49/85/36/839498536.db2.gz PWYKXGBXYZMAGP-ZSAUSMIDSA-N 2 1 358.508 -0.736 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114299813 839498970 /nfs/dbraw/zinc/49/89/70/839498970.db2.gz YHCWVCAHUXBPID-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114299813 839498961 /nfs/dbraw/zinc/49/89/61/839498961.db2.gz YHCWVCAHUXBPID-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299813 839498954 /nfs/dbraw/zinc/49/89/54/839498954.db2.gz YHCWVCAHUXBPID-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299813 839498949 /nfs/dbraw/zinc/49/89/49/839498949.db2.gz YHCWVCAHUXBPID-NPCUJANDSA-N 2 1 352.479 -0.474 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114304506 839500104 /nfs/dbraw/zinc/50/01/04/839500104.db2.gz RYAHQPQFGGQIPK-ZSAUSMIDSA-N 2 1 358.508 -0.688 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114304506 839500096 /nfs/dbraw/zinc/50/00/96/839500096.db2.gz RYAHQPQFGGQIPK-ZSAUSMIDSA-N 2 1 358.508 -0.688 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304506 839500088 /nfs/dbraw/zinc/50/00/88/839500088.db2.gz RYAHQPQFGGQIPK-ZSAUSMIDSA-N 2 1 358.508 -0.688 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304506 839500082 /nfs/dbraw/zinc/50/00/82/839500082.db2.gz RYAHQPQFGGQIPK-ZSAUSMIDSA-N 2 1 358.508 -0.688 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114304671 839499774 /nfs/dbraw/zinc/49/97/74/839499774.db2.gz WJKRFGXYUHJNLD-VQJWOFKYSA-N 2 1 358.508 -0.688 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114304671 839499765 /nfs/dbraw/zinc/49/97/65/839499765.db2.gz WJKRFGXYUHJNLD-VQJWOFKYSA-N 2 1 358.508 -0.688 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001114304671 839499758 /nfs/dbraw/zinc/49/97/58/839499758.db2.gz WJKRFGXYUHJNLD-VQJWOFKYSA-N 2 1 358.508 -0.688 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001114304671 839499751 /nfs/dbraw/zinc/49/97/51/839499751.db2.gz WJKRFGXYUHJNLD-VQJWOFKYSA-N 2 1 358.508 -0.688 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(=O)NC)C[C@H]32)CC[NH+]1C ZINC001114304773 839499087 /nfs/dbraw/zinc/49/90/87/839499087.db2.gz YLAATIUQIYQGMV-RLPMIEJPSA-N 2 1 351.451 -0.781 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(=O)NC)C[C@H]32)CC[NH+]1C ZINC001114304773 839499080 /nfs/dbraw/zinc/49/90/80/839499080.db2.gz YLAATIUQIYQGMV-RLPMIEJPSA-N 2 1 351.451 -0.781 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC)C[C@H]32)CC[N@H+]1C ZINC001114304773 839499075 /nfs/dbraw/zinc/49/90/75/839499075.db2.gz YLAATIUQIYQGMV-RLPMIEJPSA-N 2 1 351.451 -0.781 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC)C[C@H]32)CC[N@@H+]1C ZINC001114304773 839499063 /nfs/dbraw/zinc/49/90/63/839499063.db2.gz YLAATIUQIYQGMV-RLPMIEJPSA-N 2 1 351.451 -0.781 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)O1 ZINC001114451996 841770703 /nfs/dbraw/zinc/77/07/03/841770703.db2.gz BTQUOZXCYUULDI-JZYAIQKZSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)O1 ZINC001114451996 841770698 /nfs/dbraw/zinc/77/06/98/841770698.db2.gz BTQUOZXCYUULDI-JZYAIQKZSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)O1 ZINC001114451996 841770694 /nfs/dbraw/zinc/77/06/94/841770694.db2.gz BTQUOZXCYUULDI-JZYAIQKZSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)O1 ZINC001114451996 841770688 /nfs/dbraw/zinc/77/06/88/841770688.db2.gz BTQUOZXCYUULDI-JZYAIQKZSA-N 2 1 350.463 -0.722 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)CC[N@H+]1C ZINC001115543415 842877173 /nfs/dbraw/zinc/87/71/73/842877173.db2.gz HBYHSLHCHQOPLE-CHWSQXEVSA-N 2 1 353.467 -0.070 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC001116954413 843002852 /nfs/dbraw/zinc/00/28/52/843002852.db2.gz VPKMNBDSSWMNGD-INIZCTEOSA-N 2 1 353.511 -0.460 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC001116954414 843003482 /nfs/dbraw/zinc/00/34/82/843003482.db2.gz VPKMNBDSSWMNGD-MRXNPFEDSA-N 2 1 353.511 -0.460 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC001116991285 843009649 /nfs/dbraw/zinc/00/96/49/843009649.db2.gz XTYNQTGBTUVCGK-UHFFFAOYSA-N 2 1 353.511 -0.317 20 0 FBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001117028809 843017197 /nfs/dbraw/zinc/01/71/97/843017197.db2.gz SUVHNGPNHXUIRN-UHFFFAOYSA-N 2 1 355.483 -0.887 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC001117146036 843044922 /nfs/dbraw/zinc/04/49/22/843044922.db2.gz QCAKKUUDMDEZOO-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC001117146036 843044911 /nfs/dbraw/zinc/04/49/11/843044911.db2.gz QCAKKUUDMDEZOO-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC001117146037 843044625 /nfs/dbraw/zinc/04/46/25/843044625.db2.gz QCAKKUUDMDEZOO-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC001117146037 843044613 /nfs/dbraw/zinc/04/46/13/843044613.db2.gz QCAKKUUDMDEZOO-HOTGVXAUSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001117146038 843045502 /nfs/dbraw/zinc/04/55/02/843045502.db2.gz QCAKKUUDMDEZOO-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001117146038 843045494 /nfs/dbraw/zinc/04/54/94/843045494.db2.gz QCAKKUUDMDEZOO-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001117146039 843045211 /nfs/dbraw/zinc/04/52/11/843045211.db2.gz QCAKKUUDMDEZOO-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001117146039 843045198 /nfs/dbraw/zinc/04/51/98/843045198.db2.gz QCAKKUUDMDEZOO-JKSUJKDBSA-N 2 1 352.479 -0.232 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001117178892 843052019 /nfs/dbraw/zinc/05/20/19/843052019.db2.gz SUDRWKPTLUPPLZ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001117178892 843052006 /nfs/dbraw/zinc/05/20/06/843052006.db2.gz SUDRWKPTLUPPLZ-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001117178893 843052692 /nfs/dbraw/zinc/05/26/92/843052692.db2.gz SUDRWKPTLUPPLZ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001117178893 843052680 /nfs/dbraw/zinc/05/26/80/843052680.db2.gz SUDRWKPTLUPPLZ-GJZGRUSLSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001117178894 843052339 /nfs/dbraw/zinc/05/23/39/843052339.db2.gz SUDRWKPTLUPPLZ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001117178894 843052330 /nfs/dbraw/zinc/05/23/30/843052330.db2.gz SUDRWKPTLUPPLZ-HUUCEWRRSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001117178895 843052771 /nfs/dbraw/zinc/05/27/71/843052771.db2.gz SUDRWKPTLUPPLZ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001117178895 843052758 /nfs/dbraw/zinc/05/27/58/843052758.db2.gz SUDRWKPTLUPPLZ-LSDHHAIUSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001117360973 843083884 /nfs/dbraw/zinc/08/38/84/843083884.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001117360973 843083872 /nfs/dbraw/zinc/08/38/72/843083872.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001117360973 843083857 /nfs/dbraw/zinc/08/38/57/843083857.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001117360974 843083563 /nfs/dbraw/zinc/08/35/63/843083563.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001117360974 843083551 /nfs/dbraw/zinc/08/35/51/843083551.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001117360974 843083541 /nfs/dbraw/zinc/08/35/41/843083541.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001117360975 843083971 /nfs/dbraw/zinc/08/39/71/843083971.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001117360975 843083960 /nfs/dbraw/zinc/08/39/60/843083960.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001117360975 843083947 /nfs/dbraw/zinc/08/39/47/843083947.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001117360976 843084700 /nfs/dbraw/zinc/08/47/00/843084700.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001117360976 843084688 /nfs/dbraw/zinc/08/46/88/843084688.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001117360976 843084679 /nfs/dbraw/zinc/08/46/79/843084679.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 2 1 353.511 -0.271 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC[NH+]1CCO ZINC001117913207 843174721 /nfs/dbraw/zinc/17/47/21/843174721.db2.gz YGHZIHCHPJLGQS-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CCO ZINC001117913207 843174719 /nfs/dbraw/zinc/17/47/19/843174719.db2.gz YGHZIHCHPJLGQS-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CC[N@H+]1CCO ZINC001117913207 843174715 /nfs/dbraw/zinc/17/47/15/843174715.db2.gz YGHZIHCHPJLGQS-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CCO ZINC001117913207 843174711 /nfs/dbraw/zinc/17/47/11/843174711.db2.gz YGHZIHCHPJLGQS-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CCO ZINC001117913208 843174644 /nfs/dbraw/zinc/17/46/44/843174644.db2.gz YGHZIHCHPJLGQS-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CCO ZINC001117913208 843174641 /nfs/dbraw/zinc/17/46/41/843174641.db2.gz YGHZIHCHPJLGQS-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CC[N@H+]1CCO ZINC001117913208 843174636 /nfs/dbraw/zinc/17/46/36/843174636.db2.gz YGHZIHCHPJLGQS-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1CCO ZINC001117913208 843174631 /nfs/dbraw/zinc/17/46/31/843174631.db2.gz YGHZIHCHPJLGQS-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)C1 ZINC001118060180 843189726 /nfs/dbraw/zinc/18/97/26/843189726.db2.gz XMKHABAQTOQJOA-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)C1 ZINC001118060182 843189276 /nfs/dbraw/zinc/18/92/76/843189276.db2.gz XMKHABAQTOQJOA-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001118099960 843191928 /nfs/dbraw/zinc/19/19/28/843191928.db2.gz QJCMEKSYEHJQKE-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001118099961 843191832 /nfs/dbraw/zinc/19/18/32/843191832.db2.gz QJCMEKSYEHJQKE-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001118121407 843196311 /nfs/dbraw/zinc/19/63/11/843196311.db2.gz FAKAKCUGNXBYAR-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001118121409 843195918 /nfs/dbraw/zinc/19/59/18/843195918.db2.gz FAKAKCUGNXBYAR-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC001118147364 843199032 /nfs/dbraw/zinc/19/90/32/843199032.db2.gz GRNMKFGPZIPWTM-ILXRZTDVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H]1C[N@H+](C)CCO1 ZINC001118147364 843199027 /nfs/dbraw/zinc/19/90/27/843199027.db2.gz GRNMKFGPZIPWTM-ILXRZTDVSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC001118147366 843199111 /nfs/dbraw/zinc/19/91/11/843199111.db2.gz GRNMKFGPZIPWTM-KKUMJFAQSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H]1C[N@H+](C)CCO1 ZINC001118147366 843199105 /nfs/dbraw/zinc/19/91/05/843199105.db2.gz GRNMKFGPZIPWTM-KKUMJFAQSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H]1C[N@@H+](C)CCO1 ZINC001118147368 843200227 /nfs/dbraw/zinc/20/02/27/843200227.db2.gz GRNMKFGPZIPWTM-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H]1C[N@H+](C)CCO1 ZINC001118147368 843200221 /nfs/dbraw/zinc/20/02/21/843200221.db2.gz GRNMKFGPZIPWTM-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H]1C[N@@H+](C)CCO1 ZINC001118147370 843200127 /nfs/dbraw/zinc/20/01/27/843200127.db2.gz GRNMKFGPZIPWTM-SOUVJXGZSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H]1C[N@H+](C)CCO1 ZINC001118147370 843200123 /nfs/dbraw/zinc/20/01/23/843200123.db2.gz GRNMKFGPZIPWTM-SOUVJXGZSA-N 2 1 352.479 -0.188 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185634 843207810 /nfs/dbraw/zinc/20/78/10/843207810.db2.gz BDROOROBLULNCU-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185634 843207803 /nfs/dbraw/zinc/20/78/03/843207803.db2.gz BDROOROBLULNCU-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185635 843207792 /nfs/dbraw/zinc/20/77/92/843207792.db2.gz BDROOROBLULNCU-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185635 843207784 /nfs/dbraw/zinc/20/77/84/843207784.db2.gz BDROOROBLULNCU-XHSDSOJGSA-N 2 1 354.495 -0.036 20 0 FBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001118197176 843210719 /nfs/dbraw/zinc/21/07/19/843210719.db2.gz OLLJFRYFLFUTCJ-AWEZNQCLSA-N 2 1 354.476 -0.337 20 0 FBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001118197178 843210984 /nfs/dbraw/zinc/21/09/84/843210984.db2.gz OLLJFRYFLFUTCJ-CQSZACIVSA-N 2 1 354.476 -0.337 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001118216921 843215962 /nfs/dbraw/zinc/21/59/62/843215962.db2.gz RJJGFIRTORYWCC-UHFFFAOYSA-N 2 1 351.455 -0.653 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)C1 ZINC001118221512 843216986 /nfs/dbraw/zinc/21/69/86/843216986.db2.gz FGIGYCIZZYDVHV-HNNXBMFYSA-N 2 1 372.535 -0.608 20 0 FBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)C1 ZINC001118221512 843216976 /nfs/dbraw/zinc/21/69/76/843216976.db2.gz FGIGYCIZZYDVHV-HNNXBMFYSA-N 2 1 372.535 -0.608 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)C1 ZINC001118221514 843216513 /nfs/dbraw/zinc/21/65/13/843216513.db2.gz FGIGYCIZZYDVHV-OAHLLOKOSA-N 2 1 372.535 -0.608 20 0 FBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)C1 ZINC001118221514 843216506 /nfs/dbraw/zinc/21/65/06/843216506.db2.gz FGIGYCIZZYDVHV-OAHLLOKOSA-N 2 1 372.535 -0.608 20 0 FBADMP CN(CCCNC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001118263702 843229396 /nfs/dbraw/zinc/22/93/96/843229396.db2.gz KZIDCPPEQSFEIB-UHFFFAOYSA-N 2 1 360.524 -0.150 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC001118335159 843248270 /nfs/dbraw/zinc/24/82/70/843248270.db2.gz XCWCGSAHOAQROI-KRXQYRFLSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC001118335159 843248266 /nfs/dbraw/zinc/24/82/66/843248266.db2.gz XCWCGSAHOAQROI-KRXQYRFLSA-N 2 1 352.479 -0.513 20 0 FBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481970 843275769 /nfs/dbraw/zinc/27/57/69/843275769.db2.gz GWUXTOLVRWFCBN-GFCCVEGCSA-N 2 1 351.455 -0.534 20 0 FBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481974 843276028 /nfs/dbraw/zinc/27/60/28/843276028.db2.gz GWUXTOLVRWFCBN-LBPRGKRZSA-N 2 1 351.455 -0.534 20 0 FBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118490099 843277535 /nfs/dbraw/zinc/27/75/35/843277535.db2.gz CQJJNGYLFMIHMT-LLVKDONJSA-N 2 1 350.423 -0.943 20 0 FBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118490100 843277840 /nfs/dbraw/zinc/27/78/40/843277840.db2.gz CQJJNGYLFMIHMT-NSHDSACASA-N 2 1 350.423 -0.943 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001118491065 843278359 /nfs/dbraw/zinc/27/83/59/843278359.db2.gz RASPLPTWSRSLQV-UHFFFAOYSA-N 2 1 350.423 -0.800 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC001118507344 843281395 /nfs/dbraw/zinc/28/13/95/843281395.db2.gz XAWMLOLASFXQKX-CVEARBPZSA-N 2 1 352.479 -0.247 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC001118507345 843281830 /nfs/dbraw/zinc/28/18/30/843281830.db2.gz XAWMLOLASFXQKX-HOTGVXAUSA-N 2 1 352.479 -0.247 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC001118507346 843281668 /nfs/dbraw/zinc/28/16/68/843281668.db2.gz XAWMLOLASFXQKX-HZPDHXFCSA-N 2 1 352.479 -0.247 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC001118507347 843281977 /nfs/dbraw/zinc/28/19/77/843281977.db2.gz XAWMLOLASFXQKX-JKSUJKDBSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC001118865934 843358841 /nfs/dbraw/zinc/35/88/41/843358841.db2.gz UCZJYVPLXVQZMQ-AWEZNQCLSA-N 2 1 356.467 -0.772 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC001118865935 843358499 /nfs/dbraw/zinc/35/84/99/843358499.db2.gz UCZJYVPLXVQZMQ-CQSZACIVSA-N 2 1 356.467 -0.772 20 0 FBADMP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001118970079 843386357 /nfs/dbraw/zinc/38/63/57/843386357.db2.gz HLCKYLKPFDJYTJ-KRWDZBQOSA-N 2 1 352.527 -0.346 20 0 FBADMP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001118970083 843385728 /nfs/dbraw/zinc/38/57/28/843385728.db2.gz HLCKYLKPFDJYTJ-QGZVFWFLSA-N 2 1 352.527 -0.346 20 0 FBADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCNC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001119037796 843399222 /nfs/dbraw/zinc/39/92/22/843399222.db2.gz XKNIWBUZYGZLGY-HUUCEWRRSA-N 2 1 353.511 -0.605 20 0 FBADMP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH+](C)CC1 ZINC001119068356 843402636 /nfs/dbraw/zinc/40/26/36/843402636.db2.gz XHVAOOIGHDNVBE-BARDWOONSA-N 2 1 351.451 -0.984 20 0 FBADMP C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH+](C)CC1 ZINC001119068357 843402704 /nfs/dbraw/zinc/40/27/04/843402704.db2.gz XHVAOOIGHDNVBE-TUVASFSCSA-N 2 1 351.451 -0.984 20 0 FBADMP C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH+](C)CC1 ZINC001119068358 843402412 /nfs/dbraw/zinc/40/24/12/843402412.db2.gz XHVAOOIGHDNVBE-XQLPTFJDSA-N 2 1 351.451 -0.984 20 0 FBADMP C[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH+](C)CC1 ZINC001119068359 843402671 /nfs/dbraw/zinc/40/26/71/843402671.db2.gz XHVAOOIGHDNVBE-YJNKXOJESA-N 2 1 351.451 -0.984 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119252433 843431305 /nfs/dbraw/zinc/43/13/05/843431305.db2.gz DVOVDAAMVGANHQ-UHFFFAOYSA-N 2 1 353.511 -0.413 20 0 FBADMP COCc1nc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC001119269933 843433697 /nfs/dbraw/zinc/43/36/97/843433697.db2.gz NNDMYTDHHYPMJL-CHWSQXEVSA-N 2 1 353.471 -0.168 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296034 843436781 /nfs/dbraw/zinc/43/67/81/843436781.db2.gz KGVBBCVFTQOAHE-IZHWHUGBSA-N 2 1 356.536 -0.275 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296036 843436845 /nfs/dbraw/zinc/43/68/45/843436845.db2.gz KGVBBCVFTQOAHE-MYYSRTQBSA-N 2 1 356.536 -0.275 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296039 843436979 /nfs/dbraw/zinc/43/69/79/843436979.db2.gz KGVBBCVFTQOAHE-OWJWWREXSA-N 2 1 356.536 -0.275 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296041 843436949 /nfs/dbraw/zinc/43/69/49/843436949.db2.gz KGVBBCVFTQOAHE-OYLFLEFRSA-N 2 1 356.536 -0.275 20 0 FBADMP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318220 843437692 /nfs/dbraw/zinc/43/76/92/843437692.db2.gz SXCDIEJQRZJMAX-DLBZAZTESA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318221 843438057 /nfs/dbraw/zinc/43/80/57/843438057.db2.gz SXCDIEJQRZJMAX-IAGOWNOFSA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318222 843438302 /nfs/dbraw/zinc/43/83/02/843438302.db2.gz SXCDIEJQRZJMAX-IRXDYDNUSA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318223 843437613 /nfs/dbraw/zinc/43/76/13/843437613.db2.gz SXCDIEJQRZJMAX-SJORKVTESA-N 2 1 354.495 -0.332 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119352742 843440418 /nfs/dbraw/zinc/44/04/18/843440418.db2.gz UKDGXGPNAZUFBB-CRAIPNDOSA-N 2 1 351.495 -0.659 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119352743 843440616 /nfs/dbraw/zinc/44/06/16/843440616.db2.gz UKDGXGPNAZUFBB-MAUKXSAKSA-N 2 1 351.495 -0.659 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119352744 843440676 /nfs/dbraw/zinc/44/06/76/843440676.db2.gz UKDGXGPNAZUFBB-QAPCUYQASA-N 2 1 351.495 -0.659 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119352745 843440450 /nfs/dbraw/zinc/44/04/50/843440450.db2.gz UKDGXGPNAZUFBB-YJBOKZPZSA-N 2 1 351.495 -0.659 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC001119353522 843440290 /nfs/dbraw/zinc/44/02/90/843440290.db2.gz YVHDJGPRUHUEAE-HNNXBMFYSA-N 2 1 353.511 -0.143 20 0 FBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCOCC1 ZINC001119354365 843441456 /nfs/dbraw/zinc/44/14/56/843441456.db2.gz HCFJIIARPLWTIT-HRCADAONSA-N 2 1 352.479 -0.188 20 0 FBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCOCC1 ZINC001119354366 843441200 /nfs/dbraw/zinc/44/12/00/843441200.db2.gz HCFJIIARPLWTIT-JYJNAYRXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360792 843441375 /nfs/dbraw/zinc/44/13/75/843441375.db2.gz RDWRIMWSUZEWGX-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360793 843441537 /nfs/dbraw/zinc/44/15/37/843441537.db2.gz RDWRIMWSUZEWGX-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360794 843441271 /nfs/dbraw/zinc/44/12/71/843441271.db2.gz RDWRIMWSUZEWGX-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360795 843441333 /nfs/dbraw/zinc/44/13/33/843441333.db2.gz RDWRIMWSUZEWGX-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001119402967 843444285 /nfs/dbraw/zinc/44/42/85/843444285.db2.gz UBBATEZZDWYKEO-GASCZTMLSA-N 2 1 352.479 -0.009 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411857 843444445 /nfs/dbraw/zinc/44/44/45/843444445.db2.gz MRHIHAACZGGPHH-GDBMZVCRSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411857 843444442 /nfs/dbraw/zinc/44/44/42/843444442.db2.gz MRHIHAACZGGPHH-GDBMZVCRSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411858 843444558 /nfs/dbraw/zinc/44/45/58/843444558.db2.gz MRHIHAACZGGPHH-GOEBONIOSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411858 843444551 /nfs/dbraw/zinc/44/45/51/843444551.db2.gz MRHIHAACZGGPHH-GOEBONIOSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411859 843444683 /nfs/dbraw/zinc/44/46/83/843444683.db2.gz MRHIHAACZGGPHH-HOCLYGCPSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411859 843444679 /nfs/dbraw/zinc/44/46/79/843444679.db2.gz MRHIHAACZGGPHH-HOCLYGCPSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411860 843444331 /nfs/dbraw/zinc/44/43/31/843444331.db2.gz MRHIHAACZGGPHH-ZBFHGGJFSA-N 3 1 351.495 -0.519 20 0 FBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411860 843444320 /nfs/dbraw/zinc/44/43/20/843444320.db2.gz MRHIHAACZGGPHH-ZBFHGGJFSA-N 3 1 351.495 -0.519 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001119427578 843446417 /nfs/dbraw/zinc/44/64/17/843446417.db2.gz QVXNDZRWPRJYMM-IJEWVQPXSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001119427578 843446410 /nfs/dbraw/zinc/44/64/10/843446410.db2.gz QVXNDZRWPRJYMM-IJEWVQPXSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001119427580 843446127 /nfs/dbraw/zinc/44/61/27/843446127.db2.gz QVXNDZRWPRJYMM-LZWOXQAQSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001119427580 843446125 /nfs/dbraw/zinc/44/61/25/843446125.db2.gz QVXNDZRWPRJYMM-LZWOXQAQSA-N 2 1 351.495 -0.533 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001119438588 843447141 /nfs/dbraw/zinc/44/71/41/843447141.db2.gz LGHBCJQWCRMDRT-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001119438588 843447135 /nfs/dbraw/zinc/44/71/35/843447135.db2.gz LGHBCJQWCRMDRT-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119438588 843447128 /nfs/dbraw/zinc/44/71/28/843447128.db2.gz LGHBCJQWCRMDRT-JYJNAYRXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001119438590 843447424 /nfs/dbraw/zinc/44/74/24/843447424.db2.gz LGHBCJQWCRMDRT-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001119438590 843447417 /nfs/dbraw/zinc/44/74/17/843447417.db2.gz LGHBCJQWCRMDRT-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001119438590 843447412 /nfs/dbraw/zinc/44/74/12/843447412.db2.gz LGHBCJQWCRMDRT-OAGGEKHMSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001119438592 843447661 /nfs/dbraw/zinc/44/76/61/843447661.db2.gz LGHBCJQWCRMDRT-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001119438592 843447657 /nfs/dbraw/zinc/44/76/57/843447657.db2.gz LGHBCJQWCRMDRT-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119438592 843447654 /nfs/dbraw/zinc/44/76/54/843447654.db2.gz LGHBCJQWCRMDRT-PMPSAXMXSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001119438594 843447208 /nfs/dbraw/zinc/44/72/08/843447208.db2.gz LGHBCJQWCRMDRT-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001119438594 843447203 /nfs/dbraw/zinc/44/72/03/843447203.db2.gz LGHBCJQWCRMDRT-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP COC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001119438594 843447201 /nfs/dbraw/zinc/44/72/01/843447201.db2.gz LGHBCJQWCRMDRT-XHSDSOJGSA-N 2 1 354.495 -0.083 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001119483698 843449680 /nfs/dbraw/zinc/44/96/80/843449680.db2.gz WYDWTYDXVIWSOI-IKGGRYGDSA-N 2 1 351.495 -0.214 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001119483700 843450033 /nfs/dbraw/zinc/45/00/33/843450033.db2.gz WYDWTYDXVIWSOI-ZACQAIPSSA-N 2 1 351.495 -0.214 20 0 FBADMP COC(CNC(=O)C[C@@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001119501783 843450672 /nfs/dbraw/zinc/45/06/72/843450672.db2.gz GDVMHHAEFCGIPS-GJZGRUSLSA-N 2 1 354.495 -0.083 20 0 FBADMP COC(CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001119501784 843450781 /nfs/dbraw/zinc/45/07/81/843450781.db2.gz GDVMHHAEFCGIPS-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001119501785 843451353 /nfs/dbraw/zinc/45/13/53/843451353.db2.gz GDVMHHAEFCGIPS-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001119501785 843451341 /nfs/dbraw/zinc/45/13/41/843451341.db2.gz GDVMHHAEFCGIPS-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP CO[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119501785 843451336 /nfs/dbraw/zinc/45/13/36/843451336.db2.gz GDVMHHAEFCGIPS-MUJYYYPQSA-N 2 1 354.495 -0.083 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001119563186 843458005 /nfs/dbraw/zinc/45/80/05/843458005.db2.gz CZSUTENEPYBNJC-INIZCTEOSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC001119563186 843458000 /nfs/dbraw/zinc/45/80/00/843458000.db2.gz CZSUTENEPYBNJC-INIZCTEOSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC001119563186 843457993 /nfs/dbraw/zinc/45/79/93/843457993.db2.gz CZSUTENEPYBNJC-INIZCTEOSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001119563195 843458102 /nfs/dbraw/zinc/45/81/02/843458102.db2.gz CZSUTENEPYBNJC-MRXNPFEDSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC001119563195 843458097 /nfs/dbraw/zinc/45/80/97/843458097.db2.gz CZSUTENEPYBNJC-MRXNPFEDSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC001119563195 843458092 /nfs/dbraw/zinc/45/80/92/843458092.db2.gz CZSUTENEPYBNJC-MRXNPFEDSA-N 2 1 353.511 -0.461 20 0 FBADMP CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001119611141 843462689 /nfs/dbraw/zinc/46/26/89/843462689.db2.gz NXKPUWCUZHNWLQ-BMFZPTHFSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001119611141 843462683 /nfs/dbraw/zinc/46/26/83/843462683.db2.gz NXKPUWCUZHNWLQ-BMFZPTHFSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001119611142 843462645 /nfs/dbraw/zinc/46/26/45/843462645.db2.gz NXKPUWCUZHNWLQ-CWRNSKLLSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001119611142 843462637 /nfs/dbraw/zinc/46/26/37/843462637.db2.gz NXKPUWCUZHNWLQ-CWRNSKLLSA-N 2 1 352.479 -0.093 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635865 843465831 /nfs/dbraw/zinc/46/58/31/843465831.db2.gz DTQKNAOLBOBMQG-ILXRZTDVSA-N 2 1 350.463 -0.495 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635866 843465685 /nfs/dbraw/zinc/46/56/85/843465685.db2.gz DTQKNAOLBOBMQG-KFWWJZLASA-N 2 1 350.463 -0.495 20 0 FBADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001119725681 843476510 /nfs/dbraw/zinc/47/65/10/843476510.db2.gz NLJFWEABSZJTDI-AWEZNQCLSA-N 2 1 350.471 -0.632 20 0 FBADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001119725682 843476768 /nfs/dbraw/zinc/47/67/68/843476768.db2.gz NLJFWEABSZJTDI-CQSZACIVSA-N 2 1 350.471 -0.632 20 0 FBADMP C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)cc(C(=O)N[C@@H](C)C[NH+](C)C)[nH]1 ZINC001119965480 843504095 /nfs/dbraw/zinc/50/40/95/843504095.db2.gz FXHCWIVEGOUKAJ-RYUDHWBXSA-N 2 1 351.451 -0.265 20 0 FBADMP O=C(CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC001120258742 843522765 /nfs/dbraw/zinc/52/27/65/843522765.db2.gz IAMKPXJMJMAMTF-AEFFLSMTSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC001120258743 843522381 /nfs/dbraw/zinc/52/23/81/843522381.db2.gz IAMKPXJMJMAMTF-FUHWJXTLSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC001120258744 843522625 /nfs/dbraw/zinc/52/26/25/843522625.db2.gz IAMKPXJMJMAMTF-SJLPKXTDSA-N 2 1 352.479 -0.769 20 0 FBADMP O=C(CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC001120258745 843522549 /nfs/dbraw/zinc/52/25/49/843522549.db2.gz IAMKPXJMJMAMTF-WMZOPIPTSA-N 2 1 352.479 -0.769 20 0 FBADMP COCCNC(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001120260868 843522703 /nfs/dbraw/zinc/52/27/03/843522703.db2.gz XPNMBAJIYLCXDC-INIZCTEOSA-N 2 1 354.495 -0.475 20 0 FBADMP COCCNC(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001120260869 843522491 /nfs/dbraw/zinc/52/24/91/843522491.db2.gz XPNMBAJIYLCXDC-MRXNPFEDSA-N 2 1 354.495 -0.475 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(CNC(=O)O3)CC1)C2=O ZINC001120360231 843535470 /nfs/dbraw/zinc/53/54/70/843535470.db2.gz RVNYFPDQEZYBLU-UHFFFAOYSA-N 2 1 351.407 -0.466 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001120454484 843552777 /nfs/dbraw/zinc/55/27/77/843552777.db2.gz MUINGACPNHGPSI-DZKIICNBSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001120454484 843552770 /nfs/dbraw/zinc/55/27/70/843552770.db2.gz MUINGACPNHGPSI-DZKIICNBSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001120454486 843553355 /nfs/dbraw/zinc/55/33/55/843553355.db2.gz MUINGACPNHGPSI-IIAWOOMASA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001120454486 843553346 /nfs/dbraw/zinc/55/33/46/843553346.db2.gz MUINGACPNHGPSI-IIAWOOMASA-N 2 1 351.495 -0.533 20 0 FBADMP CCCNC(=O)CN1CCC(NC(=O)N2CCNC[C@H]2COC)CC1 ZINC001120480310 843557385 /nfs/dbraw/zinc/55/73/85/843557385.db2.gz QDVZNGGYBDAWHH-HNNXBMFYSA-N 2 1 355.483 -0.393 20 0 FBADMP CCCNC(=O)CN1CCC(NC(=O)N2CCNC[C@@H]2COC)CC1 ZINC001120480311 843557292 /nfs/dbraw/zinc/55/72/92/843557292.db2.gz QDVZNGGYBDAWHH-OAHLLOKOSA-N 2 1 355.483 -0.393 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001120511473 843562756 /nfs/dbraw/zinc/56/27/56/843562756.db2.gz NYJFEESNMQQADJ-AEFFLSMTSA-N 2 1 351.495 -0.070 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001120511474 843562621 /nfs/dbraw/zinc/56/26/21/843562621.db2.gz NYJFEESNMQQADJ-FUHWJXTLSA-N 2 1 351.495 -0.070 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001120511475 843562729 /nfs/dbraw/zinc/56/27/29/843562729.db2.gz NYJFEESNMQQADJ-SJLPKXTDSA-N 2 1 351.495 -0.070 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001120511476 843562929 /nfs/dbraw/zinc/56/29/29/843562929.db2.gz NYJFEESNMQQADJ-WMZOPIPTSA-N 2 1 351.495 -0.070 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120516497 843564350 /nfs/dbraw/zinc/56/43/50/843564350.db2.gz RBCOERYBSZEMFK-INIZCTEOSA-N 2 1 354.543 -0.018 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120516498 843563984 /nfs/dbraw/zinc/56/39/84/843563984.db2.gz RBCOERYBSZEMFK-MRXNPFEDSA-N 2 1 354.543 -0.018 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001120520275 843564033 /nfs/dbraw/zinc/56/40/33/843564033.db2.gz KQRKISIDFFDNIC-CVEARBPZSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001120520276 843564163 /nfs/dbraw/zinc/56/41/63/843564163.db2.gz KQRKISIDFFDNIC-HOTGVXAUSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001120520277 843563774 /nfs/dbraw/zinc/56/37/74/843563774.db2.gz KQRKISIDFFDNIC-HZPDHXFCSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001120520278 843564520 /nfs/dbraw/zinc/56/45/20/843564520.db2.gz KQRKISIDFFDNIC-JKSUJKDBSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@H](NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[N@@H+](C)CCO1 ZINC001120527041 843565671 /nfs/dbraw/zinc/56/56/71/843565671.db2.gz LMGLPDSKOJIGHA-BFHYXJOUSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[N@H+](C)CCO1 ZINC001120527041 843565667 /nfs/dbraw/zinc/56/56/67/843565667.db2.gz LMGLPDSKOJIGHA-BFHYXJOUSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[N@@H+](C)CCO1 ZINC001120527042 843565452 /nfs/dbraw/zinc/56/54/52/843565452.db2.gz LMGLPDSKOJIGHA-IHRRRGAJSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[N@H+](C)CCO1 ZINC001120527042 843565445 /nfs/dbraw/zinc/56/54/45/843565445.db2.gz LMGLPDSKOJIGHA-IHRRRGAJSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[N@@H+](C)CCO1 ZINC001120527043 843565296 /nfs/dbraw/zinc/56/52/96/843565296.db2.gz LMGLPDSKOJIGHA-MELADBBJSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[N@H+](C)CCO1 ZINC001120527043 843565290 /nfs/dbraw/zinc/56/52/90/843565290.db2.gz LMGLPDSKOJIGHA-MELADBBJSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[N@@H+](C)CCO1 ZINC001120527044 843565554 /nfs/dbraw/zinc/56/55/54/843565554.db2.gz LMGLPDSKOJIGHA-MJBXVCDLSA-N 2 1 354.451 -0.310 20 0 FBADMP C[C@H](NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[N@H+](C)CCO1 ZINC001120527044 843565545 /nfs/dbraw/zinc/56/55/45/843565545.db2.gz LMGLPDSKOJIGHA-MJBXVCDLSA-N 2 1 354.451 -0.310 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120546094 843567172 /nfs/dbraw/zinc/56/71/72/843567172.db2.gz OVJTXMFGQRAEDT-BBWFWOEESA-N 2 1 351.495 -0.025 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120546094 843567166 /nfs/dbraw/zinc/56/71/66/843567166.db2.gz OVJTXMFGQRAEDT-BBWFWOEESA-N 3 1 351.495 -0.025 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120546095 843567095 /nfs/dbraw/zinc/56/70/95/843567095.db2.gz OVJTXMFGQRAEDT-IXDOHACOSA-N 2 1 351.495 -0.025 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120546095 843567084 /nfs/dbraw/zinc/56/70/84/843567084.db2.gz OVJTXMFGQRAEDT-IXDOHACOSA-N 3 1 351.495 -0.025 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120564292 843568075 /nfs/dbraw/zinc/56/80/75/843568075.db2.gz ZCHUBZOAKVAELB-AWEZNQCLSA-N 2 1 354.451 -0.307 20 0 FBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120564293 843568190 /nfs/dbraw/zinc/56/81/90/843568190.db2.gz ZCHUBZOAKVAELB-CQSZACIVSA-N 2 1 354.451 -0.307 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCCC[NH+]1CCOCC1)C2 ZINC001120564303 843567847 /nfs/dbraw/zinc/56/78/47/843567847.db2.gz ZMPUTEDTOMQHCG-VBQJREDUSA-N 2 1 354.451 -0.369 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598574 843569504 /nfs/dbraw/zinc/56/95/04/843569504.db2.gz DLAYMTXHLHMVFC-INIZCTEOSA-N 2 1 352.527 -0.123 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598574 843569494 /nfs/dbraw/zinc/56/94/94/843569494.db2.gz DLAYMTXHLHMVFC-INIZCTEOSA-N 2 1 352.527 -0.123 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598575 843569037 /nfs/dbraw/zinc/56/90/37/843569037.db2.gz DLAYMTXHLHMVFC-MRXNPFEDSA-N 2 1 352.527 -0.123 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598575 843569031 /nfs/dbraw/zinc/56/90/31/843569031.db2.gz DLAYMTXHLHMVFC-MRXNPFEDSA-N 2 1 352.527 -0.123 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120599287 843569930 /nfs/dbraw/zinc/56/99/30/843569930.db2.gz JRYFRHVWEDWPGU-JFIYKMOQSA-N 2 1 351.495 -0.084 20 0 FBADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120599288 843569763 /nfs/dbraw/zinc/56/97/63/843569763.db2.gz JRYFRHVWEDWPGU-LZLYRXPVSA-N 2 1 351.495 -0.084 20 0 FBADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120599289 843569149 /nfs/dbraw/zinc/56/91/49/843569149.db2.gz JRYFRHVWEDWPGU-SOLBZPMBSA-N 2 1 351.495 -0.084 20 0 FBADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120599290 843569270 /nfs/dbraw/zinc/56/92/70/843569270.db2.gz JRYFRHVWEDWPGU-XYJFISCASA-N 2 1 351.495 -0.084 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602404 843571082 /nfs/dbraw/zinc/57/10/82/843571082.db2.gz FIZNVOSCVZWAPD-KBPBESRZSA-N 2 1 354.451 -0.308 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602405 843571022 /nfs/dbraw/zinc/57/10/22/843571022.db2.gz FIZNVOSCVZWAPD-KGLIPLIRSA-N 2 1 354.451 -0.308 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602406 843571156 /nfs/dbraw/zinc/57/11/56/843571156.db2.gz FIZNVOSCVZWAPD-UONOGXRCSA-N 2 1 354.451 -0.308 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602407 843570962 /nfs/dbraw/zinc/57/09/62/843570962.db2.gz FIZNVOSCVZWAPD-ZIAGYGMSSA-N 2 1 354.451 -0.308 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001120641810 843572153 /nfs/dbraw/zinc/57/21/53/843572153.db2.gz IGWORGVTLGUAQC-IKGGRYGDSA-N 2 1 353.511 -0.062 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001120641811 843572377 /nfs/dbraw/zinc/57/23/77/843572377.db2.gz IGWORGVTLGUAQC-IXDOHACOSA-N 2 1 353.511 -0.062 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC001120649925 843572900 /nfs/dbraw/zinc/57/29/00/843572900.db2.gz VCKRXNDCTKKWRX-AWEZNQCLSA-N 2 1 355.483 -0.312 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC001120649925 843572886 /nfs/dbraw/zinc/57/28/86/843572886.db2.gz VCKRXNDCTKKWRX-AWEZNQCLSA-N 2 1 355.483 -0.312 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001120649926 843573238 /nfs/dbraw/zinc/57/32/38/843573238.db2.gz VCKRXNDCTKKWRX-CQSZACIVSA-N 2 1 355.483 -0.312 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001120649926 843573227 /nfs/dbraw/zinc/57/32/27/843573227.db2.gz VCKRXNDCTKKWRX-CQSZACIVSA-N 2 1 355.483 -0.312 20 0 FBADMP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001120650660 843572684 /nfs/dbraw/zinc/57/26/84/843572684.db2.gz HPSIZZLQSIEHBH-GDBMZVCRSA-N 2 1 371.507 -0.853 20 0 FBADMP CC1(C)CC[N@@H+](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001120669552 843574292 /nfs/dbraw/zinc/57/42/92/843574292.db2.gz ZBFIJTQSXVEAHJ-UHFFFAOYSA-N 2 1 373.523 -0.653 20 0 FBADMP CC1(C)CC[N@H+](CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001120669552 843574288 /nfs/dbraw/zinc/57/42/88/843574288.db2.gz ZBFIJTQSXVEAHJ-UHFFFAOYSA-N 2 1 373.523 -0.653 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC(N)=O)C3)CC[N@H+]1C ZINC001121133573 843580515 /nfs/dbraw/zinc/58/05/15/843580515.db2.gz DASVAUCLWGYCCO-KWKVPJDUSA-N 2 1 351.451 -0.462 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)O1 ZINC001121288360 843582860 /nfs/dbraw/zinc/58/28/60/843582860.db2.gz DCCLEPRZZGTROL-ZHIXCNEBSA-N 2 1 355.479 -0.269 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)O1 ZINC001121288360 843582849 /nfs/dbraw/zinc/58/28/49/843582849.db2.gz DCCLEPRZZGTROL-ZHIXCNEBSA-N 2 1 355.479 -0.269 20 0 FBADMP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288599 843582352 /nfs/dbraw/zinc/58/23/52/843582352.db2.gz FKGWEJSSMJAGIL-HYUQPZGESA-N 2 1 355.479 -0.270 20 0 FBADMP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288599 843582345 /nfs/dbraw/zinc/58/23/45/843582345.db2.gz FKGWEJSSMJAGIL-HYUQPZGESA-N 2 1 355.479 -0.270 20 0 FBADMP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288600 843583277 /nfs/dbraw/zinc/58/32/77/843583277.db2.gz FKGWEJSSMJAGIL-OUZGONQCSA-N 2 1 355.479 -0.270 20 0 FBADMP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288600 843583271 /nfs/dbraw/zinc/58/32/71/843583271.db2.gz FKGWEJSSMJAGIL-OUZGONQCSA-N 2 1 355.479 -0.270 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C)C3)O1 ZINC001121289170 843582652 /nfs/dbraw/zinc/58/26/52/843582652.db2.gz RDOPCNGOYLQGPN-LLHKYXTOSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C)C3)O1 ZINC001121289170 843582645 /nfs/dbraw/zinc/58/26/45/843582645.db2.gz RDOPCNGOYLQGPN-LLHKYXTOSA-N 2 1 352.479 -0.189 20 0 FBADMP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289488 843582470 /nfs/dbraw/zinc/58/24/70/843582470.db2.gz UWKWLSQEXUXEJR-LLHKYXTOSA-N 2 1 352.479 -0.141 20 0 FBADMP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289488 843582462 /nfs/dbraw/zinc/58/24/62/843582462.db2.gz UWKWLSQEXUXEJR-LLHKYXTOSA-N 2 1 352.479 -0.141 20 0 FBADMP CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289492 843582800 /nfs/dbraw/zinc/58/28/00/843582800.db2.gz UZRYDXWUQFQVDN-GIQYRRDHSA-N 2 1 352.479 -0.143 20 0 FBADMP CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289492 843582788 /nfs/dbraw/zinc/58/27/88/843582788.db2.gz UZRYDXWUQFQVDN-GIQYRRDHSA-N 2 1 352.479 -0.143 20 0 FBADMP CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289493 843582943 /nfs/dbraw/zinc/58/29/43/843582943.db2.gz UZRYDXWUQFQVDN-PLPFFLGNSA-N 2 1 352.479 -0.143 20 0 FBADMP CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289493 843582929 /nfs/dbraw/zinc/58/29/29/843582929.db2.gz UZRYDXWUQFQVDN-PLPFFLGNSA-N 2 1 352.479 -0.143 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826760 843592252 /nfs/dbraw/zinc/59/22/52/843592252.db2.gz NKLBMEDKWGZNDV-CABCVRRESA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826762 843594154 /nfs/dbraw/zinc/59/41/54/843594154.db2.gz NKLBMEDKWGZNDV-GJZGRUSLSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826763 843593900 /nfs/dbraw/zinc/59/39/00/843593900.db2.gz NKLBMEDKWGZNDV-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826764 843593504 /nfs/dbraw/zinc/59/35/04/843593504.db2.gz NKLBMEDKWGZNDV-LSDHHAIUSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121905769 843595922 /nfs/dbraw/zinc/59/59/22/843595922.db2.gz PWXUCFHDXGLRIC-HZSPNIEDSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121905769 843595915 /nfs/dbraw/zinc/59/59/15/843595915.db2.gz PWXUCFHDXGLRIC-HZSPNIEDSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001121905770 843595806 /nfs/dbraw/zinc/59/58/06/843595806.db2.gz PWXUCFHDXGLRIC-MCIONIFRSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001121905771 843596006 /nfs/dbraw/zinc/59/60/06/843596006.db2.gz PWXUCFHDXGLRIC-MGPQQGTHSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121905772 843595842 /nfs/dbraw/zinc/59/58/42/843595842.db2.gz PWXUCFHDXGLRIC-MJBXVCDLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121905772 843595834 /nfs/dbraw/zinc/59/58/34/843595834.db2.gz PWXUCFHDXGLRIC-MJBXVCDLSA-N 2 1 352.479 -0.189 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(C[NH3+])CC(O)C3)CC2)CC1 ZINC001121920920 843596659 /nfs/dbraw/zinc/59/66/59/843596659.db2.gz LXKNSBIZTPSIIK-UHFFFAOYSA-N 2 1 352.479 -0.511 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922872 843597198 /nfs/dbraw/zinc/59/71/98/843597198.db2.gz DEEPKBXPHFXGAA-NUJGCVRESA-N 2 1 352.479 -0.865 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922874 843597407 /nfs/dbraw/zinc/59/74/07/843597407.db2.gz DEEPKBXPHFXGAA-RYRKJORJSA-N 2 1 352.479 -0.865 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927299 843597029 /nfs/dbraw/zinc/59/70/29/843597029.db2.gz DNJXSQRHQYJTFD-CABCVRRESA-N 2 1 351.495 -0.804 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927300 843597337 /nfs/dbraw/zinc/59/73/37/843597337.db2.gz DNJXSQRHQYJTFD-GJZGRUSLSA-N 2 1 351.495 -0.804 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927301 843597311 /nfs/dbraw/zinc/59/73/11/843597311.db2.gz DNJXSQRHQYJTFD-HUUCEWRRSA-N 2 1 351.495 -0.804 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927302 843596757 /nfs/dbraw/zinc/59/67/57/843596757.db2.gz DNJXSQRHQYJTFD-LSDHHAIUSA-N 2 1 351.495 -0.804 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121928851 843596687 /nfs/dbraw/zinc/59/66/87/843596687.db2.gz VEELSERTCQIVCE-HNNXBMFYSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121928852 843596786 /nfs/dbraw/zinc/59/67/86/843596786.db2.gz VEELSERTCQIVCE-OAHLLOKOSA-N 2 1 351.495 -0.659 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121958014 843598347 /nfs/dbraw/zinc/59/83/47/843598347.db2.gz MNERVDMBXZEATC-KBPBESRZSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121958015 843598041 /nfs/dbraw/zinc/59/80/41/843598041.db2.gz MNERVDMBXZEATC-KGLIPLIRSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121958016 843598398 /nfs/dbraw/zinc/59/83/98/843598398.db2.gz MNERVDMBXZEATC-UONOGXRCSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121958017 843597911 /nfs/dbraw/zinc/59/79/11/843597911.db2.gz MNERVDMBXZEATC-ZIAGYGMSSA-N 2 1 354.451 -0.721 20 0 FBADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001121991832 843599939 /nfs/dbraw/zinc/59/99/39/843599939.db2.gz BMYYOGKZVFVACZ-UHFFFAOYSA-N 2 1 370.500 -0.547 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001121992954 843599795 /nfs/dbraw/zinc/59/97/95/843599795.db2.gz RZZPCRLCNGCNOL-AWEZNQCLSA-N 2 1 358.508 -0.446 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001121992954 843599783 /nfs/dbraw/zinc/59/97/83/843599783.db2.gz RZZPCRLCNGCNOL-AWEZNQCLSA-N 2 1 358.508 -0.446 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001121992955 843600213 /nfs/dbraw/zinc/60/02/13/843600213.db2.gz RZZPCRLCNGCNOL-CQSZACIVSA-N 2 1 358.508 -0.446 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC001121992955 843600205 /nfs/dbraw/zinc/60/02/05/843600205.db2.gz RZZPCRLCNGCNOL-CQSZACIVSA-N 2 1 358.508 -0.446 20 0 FBADMP O=C(CCCCC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001121993682 843600421 /nfs/dbraw/zinc/60/04/21/843600421.db2.gz XQPQEPJKZMYEAU-UHFFFAOYSA-N 2 1 372.535 -0.008 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001122003101 843600387 /nfs/dbraw/zinc/60/03/87/843600387.db2.gz CGEQEECAWKTRLT-UHFFFAOYSA-N 2 1 351.451 -0.446 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001122005389 843600520 /nfs/dbraw/zinc/60/05/20/843600520.db2.gz ZTYOYHYOLNDDFQ-PBHICJAKSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001122005389 843600518 /nfs/dbraw/zinc/60/05/18/843600518.db2.gz ZTYOYHYOLNDDFQ-PBHICJAKSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001122005390 843600108 /nfs/dbraw/zinc/60/01/08/843600108.db2.gz ZTYOYHYOLNDDFQ-RHSMWYFYSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001122005390 843600101 /nfs/dbraw/zinc/60/01/01/843600101.db2.gz ZTYOYHYOLNDDFQ-RHSMWYFYSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001122005391 843600308 /nfs/dbraw/zinc/60/03/08/843600308.db2.gz ZTYOYHYOLNDDFQ-WMLDXEAASA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001122005391 843600302 /nfs/dbraw/zinc/60/03/02/843600302.db2.gz ZTYOYHYOLNDDFQ-WMLDXEAASA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001122005392 843600501 /nfs/dbraw/zinc/60/05/01/843600501.db2.gz ZTYOYHYOLNDDFQ-YOEHRIQHSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001122005392 843600500 /nfs/dbraw/zinc/60/05/00/843600500.db2.gz ZTYOYHYOLNDDFQ-YOEHRIQHSA-N 2 1 353.511 -0.239 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009072 843600459 /nfs/dbraw/zinc/60/04/59/843600459.db2.gz BANMKNQSNRAPPW-CVEARBPZSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009073 843600178 /nfs/dbraw/zinc/60/01/78/843600178.db2.gz BANMKNQSNRAPPW-HOTGVXAUSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009074 843600052 /nfs/dbraw/zinc/60/00/52/843600052.db2.gz BANMKNQSNRAPPW-HZPDHXFCSA-N 2 1 351.495 -0.578 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009075 843599894 /nfs/dbraw/zinc/59/98/94/843599894.db2.gz BANMKNQSNRAPPW-JKSUJKDBSA-N 2 1 351.495 -0.578 20 0 FBADMP O=C([C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069237 843602750 /nfs/dbraw/zinc/60/27/50/843602750.db2.gz AKOHWYJMNXCEIR-CWRNSKLLSA-N 2 1 370.519 -0.400 20 0 FBADMP O=C([C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069239 843602626 /nfs/dbraw/zinc/60/26/26/843602626.db2.gz AKOHWYJMNXCEIR-FVQBIDKESA-N 2 1 370.519 -0.400 20 0 FBADMP O=C([C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069241 843602404 /nfs/dbraw/zinc/60/24/04/843602404.db2.gz AKOHWYJMNXCEIR-NUEKZKHPSA-N 2 1 370.519 -0.400 20 0 FBADMP O=C([C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069246 843602321 /nfs/dbraw/zinc/60/23/21/843602321.db2.gz AKOHWYJMNXCEIR-VNQPRFMTSA-N 2 1 370.519 -0.400 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069632 843602529 /nfs/dbraw/zinc/60/25/29/843602529.db2.gz DAMQPLBRYIJMLR-HNNXBMFYSA-N 2 1 358.508 -0.447 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069632 843602519 /nfs/dbraw/zinc/60/25/19/843602519.db2.gz DAMQPLBRYIJMLR-HNNXBMFYSA-N 2 1 358.508 -0.447 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069635 843602124 /nfs/dbraw/zinc/60/21/24/843602124.db2.gz DAMQPLBRYIJMLR-OAHLLOKOSA-N 2 1 358.508 -0.447 20 0 FBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122069635 843602112 /nfs/dbraw/zinc/60/21/12/843602112.db2.gz DAMQPLBRYIJMLR-OAHLLOKOSA-N 2 1 358.508 -0.447 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001122077783 843603642 /nfs/dbraw/zinc/60/36/42/843603642.db2.gz QXMZRNFAEGYVNB-GDBMZVCRSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001122077788 843603487 /nfs/dbraw/zinc/60/34/87/843603487.db2.gz QXMZRNFAEGYVNB-GOEBONIOSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001122077789 843603654 /nfs/dbraw/zinc/60/36/54/843603654.db2.gz QXMZRNFAEGYVNB-HOCLYGCPSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001122077791 843603697 /nfs/dbraw/zinc/60/36/97/843603697.db2.gz QXMZRNFAEGYVNB-ZBFHGGJFSA-N 2 1 351.495 -0.519 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001122143871 843605303 /nfs/dbraw/zinc/60/53/03/843605303.db2.gz NGEGJOKXIHVQDD-OWCLPIDISA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001122143872 843605419 /nfs/dbraw/zinc/60/54/19/843605419.db2.gz NGEGJOKXIHVQDD-PMPSAXMXSA-N 2 1 352.479 -0.329 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1[NH3+] ZINC001122163201 843606355 /nfs/dbraw/zinc/60/63/55/843606355.db2.gz RFJVHIDPAXSLKR-CABCVRRESA-N 2 1 352.479 -0.105 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1[NH3+] ZINC001122163202 843606324 /nfs/dbraw/zinc/60/63/24/843606324.db2.gz RFJVHIDPAXSLKR-GJZGRUSLSA-N 2 1 352.479 -0.105 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC001122163203 843606618 /nfs/dbraw/zinc/60/66/18/843606618.db2.gz RFJVHIDPAXSLKR-HUUCEWRRSA-N 2 1 352.479 -0.105 20 0 FBADMP CC1(C)CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC001122163204 843606528 /nfs/dbraw/zinc/60/65/28/843606528.db2.gz RFJVHIDPAXSLKR-LSDHHAIUSA-N 2 1 352.479 -0.105 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001122165296 843606231 /nfs/dbraw/zinc/60/62/31/843606231.db2.gz ASSBPEIDJLQTCR-FXUDXRNXSA-N 2 1 352.479 -0.010 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001122165297 843606706 /nfs/dbraw/zinc/60/67/06/843606706.db2.gz ASSBPEIDJLQTCR-LVQVYYBASA-N 2 1 352.479 -0.010 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001122165298 843606451 /nfs/dbraw/zinc/60/64/51/843606451.db2.gz ASSBPEIDJLQTCR-UGUYLWEFSA-N 2 1 352.479 -0.010 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001122165299 843606178 /nfs/dbraw/zinc/60/61/78/843606178.db2.gz ASSBPEIDJLQTCR-WCVJEAGWSA-N 2 1 352.479 -0.010 20 0 FBADMP O=C(C[NH2+]CC1CC1)N1CC[NH2+]CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC001122180087 843606677 /nfs/dbraw/zinc/60/66/77/843606677.db2.gz NPDSAZQYTDUJOQ-UHFFFAOYSA-N 3 1 351.495 -0.754 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122217883 843608585 /nfs/dbraw/zinc/60/85/85/843608585.db2.gz QYUIBITWQYLUIJ-HUUCEWRRSA-N 2 1 356.467 -0.820 20 0 FBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122217884 843608495 /nfs/dbraw/zinc/60/84/95/843608495.db2.gz QYUIBITWQYLUIJ-LSDHHAIUSA-N 2 1 356.467 -0.820 20 0 FBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122218748 843608594 /nfs/dbraw/zinc/60/85/94/843608594.db2.gz WKHFSTKEUGCNPT-AEFFLSMTSA-N 2 1 354.495 -0.596 20 0 FBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122218788 843608475 /nfs/dbraw/zinc/60/84/75/843608475.db2.gz WKHFSTKEUGCNPT-FUHWJXTLSA-N 2 1 354.495 -0.596 20 0 FBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122218789 843608311 /nfs/dbraw/zinc/60/83/11/843608311.db2.gz WKHFSTKEUGCNPT-SJLPKXTDSA-N 2 1 354.495 -0.596 20 0 FBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001122218790 843608195 /nfs/dbraw/zinc/60/81/95/843608195.db2.gz WKHFSTKEUGCNPT-WMZOPIPTSA-N 2 1 354.495 -0.596 20 0 FBADMP CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122234628 843609441 /nfs/dbraw/zinc/60/94/41/843609441.db2.gz FQGIDAXZZKRKIP-GASCZTMLSA-N 2 1 358.508 -0.305 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001122236759 843609189 /nfs/dbraw/zinc/60/91/89/843609189.db2.gz ZPBPKEXWICONPA-UXLLHSPISA-N 2 1 351.495 -0.487 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122236759 843609183 /nfs/dbraw/zinc/60/91/83/843609183.db2.gz ZPBPKEXWICONPA-UXLLHSPISA-N 3 1 351.495 -0.487 20 0 FBADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)C[C@H]1C ZINC001122239585 843609150 /nfs/dbraw/zinc/60/91/50/843609150.db2.gz KHFKLHNBOHVSFO-CHWSQXEVSA-N 2 1 352.439 -0.060 20 0 FBADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)C[C@H]1C ZINC001122239586 843609377 /nfs/dbraw/zinc/60/93/77/843609377.db2.gz KHFKLHNBOHVSFO-OLZOCXBDSA-N 2 1 352.439 -0.060 20 0 FBADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)C[C@@H]1C ZINC001122239587 843609072 /nfs/dbraw/zinc/60/90/72/843609072.db2.gz KHFKLHNBOHVSFO-QWHCGFSZSA-N 2 1 352.439 -0.060 20 0 FBADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)C[C@@H]1C ZINC001122239588 843609515 /nfs/dbraw/zinc/60/95/15/843609515.db2.gz KHFKLHNBOHVSFO-STQMWFEESA-N 2 1 352.439 -0.060 20 0 FBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265407 843610469 /nfs/dbraw/zinc/61/04/69/843610469.db2.gz NBYWXIIUFHMKGR-FZKCQIBNSA-N 3 1 351.495 -0.757 20 0 FBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265408 843610434 /nfs/dbraw/zinc/61/04/34/843610434.db2.gz NBYWXIIUFHMKGR-GEEKYZPCSA-N 3 1 351.495 -0.757 20 0 FBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265409 843610822 /nfs/dbraw/zinc/61/08/22/843610822.db2.gz NBYWXIIUFHMKGR-VGWMRTNUSA-N 3 1 351.495 -0.757 20 0 FBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265410 843610835 /nfs/dbraw/zinc/61/08/35/843610835.db2.gz NBYWXIIUFHMKGR-YHUYYLMFSA-N 3 1 351.495 -0.757 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001122366950 843615167 /nfs/dbraw/zinc/61/51/67/843615167.db2.gz ZQTHYNIDGMQNSO-HOTGVXAUSA-N 3 1 353.511 -0.223 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001122366951 843614862 /nfs/dbraw/zinc/61/48/62/843614862.db2.gz ZQTHYNIDGMQNSO-HZPDHXFCSA-N 3 1 353.511 -0.223 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001122366952 843614948 /nfs/dbraw/zinc/61/49/48/843614948.db2.gz ZQTHYNIDGMQNSO-IYBDPMFKSA-N 3 1 353.511 -0.223 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001122366952 843614943 /nfs/dbraw/zinc/61/49/43/843614943.db2.gz ZQTHYNIDGMQNSO-IYBDPMFKSA-N 3 1 353.511 -0.223 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001122366952 843614936 /nfs/dbraw/zinc/61/49/36/843614936.db2.gz ZQTHYNIDGMQNSO-IYBDPMFKSA-N 3 1 353.511 -0.223 20 0 FBADMP C[N@H+]1C[C@@]23CN(C(=O)[C@]45C[NH2+]C[C@H]4CS(=O)(=O)C5)C[C@]2(C1)CCCC3 ZINC001122526986 843618109 /nfs/dbraw/zinc/61/81/09/843618109.db2.gz DAYLECLVKWTDPX-OWLYRPNTSA-N 2 1 367.515 -0.045 20 0 FBADMP [NH3+][C@@H]1CCOC2(CC(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001122574195 843619622 /nfs/dbraw/zinc/61/96/22/843619622.db2.gz YRXXDNGMGABGDM-NEHBASCSSA-N 2 1 353.463 -0.385 20 0 FBADMP [NH3+][C@H]1CCOC2(CC(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001122574196 843619711 /nfs/dbraw/zinc/61/97/11/843619711.db2.gz YRXXDNGMGABGDM-QGAOAIPTSA-N 2 1 353.463 -0.385 20 0 FBADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123504918 843630042 /nfs/dbraw/zinc/63/00/42/843630042.db2.gz KDKCXBMXAAWOES-DLBZAZTESA-N 2 1 354.543 -0.053 20 0 FBADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123504919 843630027 /nfs/dbraw/zinc/63/00/27/843630027.db2.gz KDKCXBMXAAWOES-IAGOWNOFSA-N 2 1 354.543 -0.053 20 0 FBADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123504920 843630000 /nfs/dbraw/zinc/63/00/00/843630000.db2.gz KDKCXBMXAAWOES-IRXDYDNUSA-N 2 1 354.543 -0.053 20 0 FBADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123504921 843630446 /nfs/dbraw/zinc/63/04/46/843630446.db2.gz KDKCXBMXAAWOES-SJORKVTESA-N 2 1 354.543 -0.053 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123511917 843630682 /nfs/dbraw/zinc/63/06/82/843630682.db2.gz IAVSZOQQAWIEJW-DOTOQJQBSA-N 2 1 358.483 -0.520 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513009 843630331 /nfs/dbraw/zinc/63/03/31/843630331.db2.gz GLTBMFYJVZTGAS-GRZALLJUSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123513010 843631868 /nfs/dbraw/zinc/63/18/68/843631868.db2.gz GLTBMFYJVZTGAS-KMANFZQXSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123513010 843631863 /nfs/dbraw/zinc/63/18/63/843631863.db2.gz GLTBMFYJVZTGAS-KMANFZQXSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513010 843631855 /nfs/dbraw/zinc/63/18/55/843631855.db2.gz GLTBMFYJVZTGAS-KMANFZQXSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123513011 843631768 /nfs/dbraw/zinc/63/17/68/843631768.db2.gz GLTBMFYJVZTGAS-NOVWEMISSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123513011 843631762 /nfs/dbraw/zinc/63/17/62/843631762.db2.gz GLTBMFYJVZTGAS-NOVWEMISSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513011 843631758 /nfs/dbraw/zinc/63/17/58/843631758.db2.gz GLTBMFYJVZTGAS-NOVWEMISSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123513012 843631660 /nfs/dbraw/zinc/63/16/60/843631660.db2.gz GLTBMFYJVZTGAS-OWIUFQIYSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123513012 843631658 /nfs/dbraw/zinc/63/16/58/843631658.db2.gz GLTBMFYJVZTGAS-OWIUFQIYSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513012 843631655 /nfs/dbraw/zinc/63/16/55/843631655.db2.gz GLTBMFYJVZTGAS-OWIUFQIYSA-N 2 1 352.479 -0.006 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001123657597 843635443 /nfs/dbraw/zinc/63/54/43/843635443.db2.gz VCUSEQRUDUBBGH-GDBMZVCRSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001123657598 843635388 /nfs/dbraw/zinc/63/53/88/843635388.db2.gz VCUSEQRUDUBBGH-GOEBONIOSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001123657599 843635126 /nfs/dbraw/zinc/63/51/26/843635126.db2.gz VCUSEQRUDUBBGH-HOCLYGCPSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001123657600 843635066 /nfs/dbraw/zinc/63/50/66/843635066.db2.gz VCUSEQRUDUBBGH-ZBFHGGJFSA-N 2 1 351.495 -0.709 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCO1 ZINC001124057395 843648130 /nfs/dbraw/zinc/64/81/30/843648130.db2.gz VERNANKITGMNSI-CABCVRRESA-N 2 1 356.467 -0.820 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCO1 ZINC001124057396 843648156 /nfs/dbraw/zinc/64/81/56/843648156.db2.gz VERNANKITGMNSI-GJZGRUSLSA-N 2 1 356.467 -0.820 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCO1 ZINC001124057397 843647768 /nfs/dbraw/zinc/64/77/68/843647768.db2.gz VERNANKITGMNSI-HUUCEWRRSA-N 2 1 356.467 -0.820 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCO1 ZINC001124057398 843647541 /nfs/dbraw/zinc/64/75/41/843647541.db2.gz VERNANKITGMNSI-LSDHHAIUSA-N 2 1 356.467 -0.820 20 0 FBADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127570770 837162282 /nfs/dbraw/zinc/16/22/82/837162282.db2.gz FGOCBWHUIRUHAM-CVEARBPZSA-N 2 1 350.467 -0.232 20 0 FBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)nn1 ZINC001127570960 837163983 /nfs/dbraw/zinc/16/39/83/837163983.db2.gz HOMLIHVQDKLWSA-CVEARBPZSA-N 2 1 350.467 -0.232 20 0 FBADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570986 837163745 /nfs/dbraw/zinc/16/37/45/837163745.db2.gz JHYUAEIIKSKUFC-HIFRSBDPSA-N 2 1 351.455 -0.837 20 0 FBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571480 837165206 /nfs/dbraw/zinc/16/52/06/837165206.db2.gz SQBZGRMAQRYGJS-ZBFHGGJFSA-N 2 1 350.467 -0.232 20 0 FBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571669 837163844 /nfs/dbraw/zinc/16/38/44/837163844.db2.gz WVNQJRWNXVJJER-ZBFHGGJFSA-N 2 1 350.467 -0.232 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CCOCC2)CC[N@H+]1C ZINC001127639221 837186383 /nfs/dbraw/zinc/18/63/83/837186383.db2.gz WERFGBRNNPXGOG-TZMCWYRMSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CCOCC2)CC[N@@H+]1C ZINC001127639221 837186374 /nfs/dbraw/zinc/18/63/74/837186374.db2.gz WERFGBRNNPXGOG-TZMCWYRMSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNCc2nnnn2C2CCOCC2)CC[N@H+]1C ZINC001127639221 837186366 /nfs/dbraw/zinc/18/63/66/837186366.db2.gz WERFGBRNNPXGOG-TZMCWYRMSA-N 2 1 351.455 -0.429 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127643882 837186823 /nfs/dbraw/zinc/18/68/23/837186823.db2.gz PWJSGWVVJIWNPI-IIAWOOMASA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127643882 837186815 /nfs/dbraw/zinc/18/68/15/837186815.db2.gz PWJSGWVVJIWNPI-IIAWOOMASA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNCc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127643882 837186810 /nfs/dbraw/zinc/18/68/10/837186810.db2.gz PWJSGWVVJIWNPI-IIAWOOMASA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127643883 837186588 /nfs/dbraw/zinc/18/65/88/837186588.db2.gz PWJSGWVVJIWNPI-IJEWVQPXSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127643883 837186582 /nfs/dbraw/zinc/18/65/82/837186582.db2.gz PWJSGWVVJIWNPI-IJEWVQPXSA-N 2 1 350.467 -0.139 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNCc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127643883 837186574 /nfs/dbraw/zinc/18/65/74/837186574.db2.gz PWJSGWVVJIWNPI-IJEWVQPXSA-N 2 1 350.467 -0.139 20 0 FBADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653093 837187924 /nfs/dbraw/zinc/18/79/24/837187924.db2.gz LLGVXWSAXXWZPI-BFHYXJOUSA-N 2 1 355.483 -0.097 20 0 FBADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653094 837188287 /nfs/dbraw/zinc/18/82/87/837188287.db2.gz LLGVXWSAXXWZPI-MGPQQGTHSA-N 2 1 355.483 -0.097 20 0 FBADMP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660277 837188215 /nfs/dbraw/zinc/18/82/15/837188215.db2.gz UDQPBEQQCYAIEN-ZIAGYGMSSA-N 2 1 355.483 -0.983 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001127660312 837188159 /nfs/dbraw/zinc/18/81/59/837188159.db2.gz VBCPSNFSPMMDMS-CHWSQXEVSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127691024 837193152 /nfs/dbraw/zinc/19/31/52/837193152.db2.gz YCVSWBSTTMWVKC-TZMCWYRMSA-N 2 1 353.467 -0.199 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1C ZINC001127701283 837192723 /nfs/dbraw/zinc/19/27/23/837192723.db2.gz MSIXGGZWCFDOKY-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1C ZINC001127701284 837194555 /nfs/dbraw/zinc/19/45/55/837194555.db2.gz MSIXGGZWCFDOKY-SOUVJXGZSA-N 2 1 360.524 -0.296 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)CC[N@H+]1C ZINC001127701513 837194025 /nfs/dbraw/zinc/19/40/25/837194025.db2.gz RIJPPAFNMFKPEX-LSDHHAIUSA-N 2 1 363.524 -0.126 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127701542 837194448 /nfs/dbraw/zinc/19/44/48/837194448.db2.gz SUCOQGRIDJUPHV-UONOGXRCSA-N 2 1 355.483 -0.096 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001127705436 837194218 /nfs/dbraw/zinc/19/42/18/837194218.db2.gz DCUVXNRYVZMQDZ-BHYGNILZSA-N 2 1 357.495 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001127705439 837193999 /nfs/dbraw/zinc/19/39/99/837193999.db2.gz DCUVXNRYVZMQDZ-HYVNUMGLSA-N 2 1 357.495 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001127705816 837193890 /nfs/dbraw/zinc/19/38/90/837193890.db2.gz GRVPNMDXBBVGES-QWHCGFSZSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC001127707001 837227265 /nfs/dbraw/zinc/22/72/65/837227265.db2.gz SMZYTJLGBLKLTG-UONOGXRCSA-N 2 1 351.451 -0.980 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127707044 837226864 /nfs/dbraw/zinc/22/68/64/837226864.db2.gz SZOVHHXZJNDUJL-HZSPNIEDSA-N 2 1 355.483 -0.985 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127707049 837227420 /nfs/dbraw/zinc/22/74/20/837227420.db2.gz SZOVHHXZJNDUJL-MELADBBJSA-N 2 1 355.483 -0.985 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCO)n3CC2)CC[N@H+]1C ZINC001127997210 837345976 /nfs/dbraw/zinc/34/59/76/837345976.db2.gz JSURGXXAISTNKL-HZSPNIEDSA-N 2 1 350.467 -0.479 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCO)n3CC2)CC[N@@H+]1C ZINC001127997210 837345962 /nfs/dbraw/zinc/34/59/62/837345962.db2.gz JSURGXXAISTNKL-HZSPNIEDSA-N 2 1 350.467 -0.479 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCO)n3CC2)CC[N@H+]1C ZINC001127997211 837345714 /nfs/dbraw/zinc/34/57/14/837345714.db2.gz JSURGXXAISTNKL-MGPQQGTHSA-N 2 1 350.467 -0.479 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCO)n3CC2)CC[N@@H+]1C ZINC001127997211 837345705 /nfs/dbraw/zinc/34/57/05/837345705.db2.gz JSURGXXAISTNKL-MGPQQGTHSA-N 2 1 350.467 -0.479 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004475 837748926 /nfs/dbraw/zinc/74/89/26/837748926.db2.gz QOUJXSFDDQQCDK-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004475 837748916 /nfs/dbraw/zinc/74/89/16/837748916.db2.gz QOUJXSFDDQQCDK-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004475 837748909 /nfs/dbraw/zinc/74/89/09/837748909.db2.gz QOUJXSFDDQQCDK-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004481 837748370 /nfs/dbraw/zinc/74/83/70/837748370.db2.gz QUMFPOCWLBFMAV-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004481 837748364 /nfs/dbraw/zinc/74/83/64/837748364.db2.gz QUMFPOCWLBFMAV-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004481 837748358 /nfs/dbraw/zinc/74/83/58/837748358.db2.gz QUMFPOCWLBFMAV-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129029301 837753821 /nfs/dbraw/zinc/75/38/21/837753821.db2.gz BAWJYKRELOKHQX-KFWWJZLASA-N 2 1 356.446 -0.054 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129029301 837753815 /nfs/dbraw/zinc/75/38/15/837753815.db2.gz BAWJYKRELOKHQX-KFWWJZLASA-N 2 1 356.446 -0.054 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129029305 837753250 /nfs/dbraw/zinc/75/32/50/837753250.db2.gz BAWJYKRELOKHQX-ZNMIVQPWSA-N 2 1 356.446 -0.054 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129029305 837753242 /nfs/dbraw/zinc/75/32/42/837753242.db2.gz BAWJYKRELOKHQX-ZNMIVQPWSA-N 2 1 356.446 -0.054 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129029731 837753549 /nfs/dbraw/zinc/75/35/49/837753549.db2.gz LTZSEWHPJMOIFP-KFWWJZLASA-N 2 1 356.446 -0.318 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129029731 837753541 /nfs/dbraw/zinc/75/35/41/837753541.db2.gz LTZSEWHPJMOIFP-KFWWJZLASA-N 2 1 356.446 -0.318 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129029732 837752456 /nfs/dbraw/zinc/75/24/56/837752456.db2.gz LTZSEWHPJMOIFP-ZNMIVQPWSA-N 2 1 356.446 -0.318 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129029732 837752448 /nfs/dbraw/zinc/75/24/48/837752448.db2.gz LTZSEWHPJMOIFP-ZNMIVQPWSA-N 2 1 356.446 -0.318 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052493 837756988 /nfs/dbraw/zinc/75/69/88/837756988.db2.gz HHPRFLMSRCVUGP-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052493 837756978 /nfs/dbraw/zinc/75/69/78/837756978.db2.gz HHPRFLMSRCVUGP-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052494 837756389 /nfs/dbraw/zinc/75/63/89/837756389.db2.gz HHPRFLMSRCVUGP-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052494 837756387 /nfs/dbraw/zinc/75/63/87/837756387.db2.gz HHPRFLMSRCVUGP-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129053049 837756729 /nfs/dbraw/zinc/75/67/29/837756729.db2.gz PHGJTBBKYADECD-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129053051 837755964 /nfs/dbraw/zinc/75/59/64/837755964.db2.gz PHGJTBBKYADECD-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055242 837756569 /nfs/dbraw/zinc/75/65/69/837756569.db2.gz XVYYPQCHUHCIAE-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055242 837756562 /nfs/dbraw/zinc/75/65/62/837756562.db2.gz XVYYPQCHUHCIAE-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055242 837756558 /nfs/dbraw/zinc/75/65/58/837756558.db2.gz XVYYPQCHUHCIAE-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055243 837756225 /nfs/dbraw/zinc/75/62/25/837756225.db2.gz XVYYPQCHUHCIAE-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055243 837756217 /nfs/dbraw/zinc/75/62/17/837756217.db2.gz XVYYPQCHUHCIAE-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055243 837756210 /nfs/dbraw/zinc/75/62/10/837756210.db2.gz XVYYPQCHUHCIAE-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129065554 837758201 /nfs/dbraw/zinc/75/82/01/837758201.db2.gz YNUXZWLAUIZDJN-CABCVRRESA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CCCC1 ZINC001129127862 837763863 /nfs/dbraw/zinc/76/38/63/837763863.db2.gz LYQXZTPRFFVEFR-CABCVRRESA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CCCC1 ZINC001129127862 837763854 /nfs/dbraw/zinc/76/38/54/837763854.db2.gz LYQXZTPRFFVEFR-CABCVRRESA-N 2 1 350.467 -0.124 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204489 837770489 /nfs/dbraw/zinc/77/04/89/837770489.db2.gz GEBOSLVLPRQYPU-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204490 837770361 /nfs/dbraw/zinc/77/03/61/837770361.db2.gz GEBOSLVLPRQYPU-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210311 837774101 /nfs/dbraw/zinc/77/41/01/837774101.db2.gz QLUIRGLJHAIXKI-KFWWJZLASA-N 2 1 350.467 -0.004 20 0 FBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210312 837774279 /nfs/dbraw/zinc/77/42/79/837774279.db2.gz QLUIRGLJHAIXKI-ZNMIVQPWSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210762 837774264 /nfs/dbraw/zinc/77/42/64/837774264.db2.gz WRLJVEXGYXNMQD-CABCVRRESA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210762 837774254 /nfs/dbraw/zinc/77/42/54/837774254.db2.gz WRLJVEXGYXNMQD-CABCVRRESA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210940 837773766 /nfs/dbraw/zinc/77/37/66/837773766.db2.gz ZGKDDVAESLOZHI-CABCVRRESA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219287 837775588 /nfs/dbraw/zinc/77/55/88/837775588.db2.gz CSLYRIZOKRUPFD-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129219571 837775399 /nfs/dbraw/zinc/77/53/99/837775399.db2.gz FWCHIVRGIFIZON-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129219571 837775392 /nfs/dbraw/zinc/77/53/92/837775392.db2.gz FWCHIVRGIFIZON-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129220223 837775150 /nfs/dbraw/zinc/77/51/50/837775150.db2.gz RZYCDKDYSXLDLV-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220257 837775048 /nfs/dbraw/zinc/77/50/48/837775048.db2.gz TZBYHGMDQLXEGQ-KFWWJZLASA-N 2 1 350.467 -0.004 20 0 FBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220258 837775323 /nfs/dbraw/zinc/77/53/23/837775323.db2.gz TZBYHGMDQLXEGQ-ZNMIVQPWSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129224263 837776907 /nfs/dbraw/zinc/77/69/07/837776907.db2.gz YGWFLJCGVPGWAU-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228132 837776250 /nfs/dbraw/zinc/77/62/50/837776250.db2.gz DSMZHUUXLHZGRV-CABCVRRESA-N 2 1 354.455 -0.766 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228132 837776245 /nfs/dbraw/zinc/77/62/45/837776245.db2.gz DSMZHUUXLHZGRV-CABCVRRESA-N 2 1 354.455 -0.766 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228219 837776484 /nfs/dbraw/zinc/77/64/84/837776484.db2.gz JBGZDUFVSWJYHW-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228220 837776433 /nfs/dbraw/zinc/77/64/33/837776433.db2.gz JBGZDUFVSWJYHW-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228468 837778444 /nfs/dbraw/zinc/77/84/44/837778444.db2.gz UFENFBXXCOWKHV-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228469 837777465 /nfs/dbraw/zinc/77/74/65/837777465.db2.gz UFENFBXXCOWKHV-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129228605 837778201 /nfs/dbraw/zinc/77/82/01/837778201.db2.gz ZHQIOAPFWRBQKS-OLZOCXBDSA-N 2 1 360.409 -0.147 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129228605 837778189 /nfs/dbraw/zinc/77/81/89/837778189.db2.gz ZHQIOAPFWRBQKS-OLZOCXBDSA-N 2 1 360.409 -0.147 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266701 837783211 /nfs/dbraw/zinc/78/32/11/837783211.db2.gz OXTZJYPNKCSRRF-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266701 837783207 /nfs/dbraw/zinc/78/32/07/837783207.db2.gz OXTZJYPNKCSRRF-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266701 837783202 /nfs/dbraw/zinc/78/32/02/837783202.db2.gz OXTZJYPNKCSRRF-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266701 837783198 /nfs/dbraw/zinc/78/31/98/837783198.db2.gz OXTZJYPNKCSRRF-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266702 837783172 /nfs/dbraw/zinc/78/31/72/837783172.db2.gz OXTZJYPNKCSRRF-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266702 837783167 /nfs/dbraw/zinc/78/31/67/837783167.db2.gz OXTZJYPNKCSRRF-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266702 837783164 /nfs/dbraw/zinc/78/31/64/837783164.db2.gz OXTZJYPNKCSRRF-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266702 837783159 /nfs/dbraw/zinc/78/31/59/837783159.db2.gz OXTZJYPNKCSRRF-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266788 837782796 /nfs/dbraw/zinc/78/27/96/837782796.db2.gz QYLLKBUHIKGFDP-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266788 837782785 /nfs/dbraw/zinc/78/27/85/837782785.db2.gz QYLLKBUHIKGFDP-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266788 837782779 /nfs/dbraw/zinc/78/27/79/837782779.db2.gz QYLLKBUHIKGFDP-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266791 837783256 /nfs/dbraw/zinc/78/32/56/837783256.db2.gz QYLLKBUHIKGFDP-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266791 837783252 /nfs/dbraw/zinc/78/32/52/837783252.db2.gz QYLLKBUHIKGFDP-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266791 837783248 /nfs/dbraw/zinc/78/32/48/837783248.db2.gz QYLLKBUHIKGFDP-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276214 837786509 /nfs/dbraw/zinc/78/65/09/837786509.db2.gz BBQIWNGXZYHPML-KFWWJZLASA-N 2 1 352.483 -0.022 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276223 837786399 /nfs/dbraw/zinc/78/63/99/837786399.db2.gz BBQIWNGXZYHPML-ZNMIVQPWSA-N 2 1 352.483 -0.022 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276835 837787679 /nfs/dbraw/zinc/78/76/79/837787679.db2.gz WXTSCCSPHMQFFH-CABCVRRESA-N 2 1 352.483 -0.020 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276835 837787674 /nfs/dbraw/zinc/78/76/74/837787674.db2.gz WXTSCCSPHMQFFH-CABCVRRESA-N 2 1 352.483 -0.020 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276835 837787669 /nfs/dbraw/zinc/78/76/69/837787669.db2.gz WXTSCCSPHMQFFH-CABCVRRESA-N 2 1 352.483 -0.020 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276835 837787665 /nfs/dbraw/zinc/78/76/65/837787665.db2.gz WXTSCCSPHMQFFH-CABCVRRESA-N 2 1 352.483 -0.020 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129321157 839208709 /nfs/dbraw/zinc/20/87/09/839208709.db2.gz HJZAWWFEINVVBR-CABCVRRESA-N 2 1 354.430 -0.299 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129321157 839208694 /nfs/dbraw/zinc/20/86/94/839208694.db2.gz HJZAWWFEINVVBR-CABCVRRESA-N 2 1 354.430 -0.299 20 0 FBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321619 839213284 /nfs/dbraw/zinc/21/32/84/839213284.db2.gz NCMAFUOWJDQWKR-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321619 839213271 /nfs/dbraw/zinc/21/32/71/839213271.db2.gz NCMAFUOWJDQWKR-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129326865 839233133 /nfs/dbraw/zinc/23/31/33/839233133.db2.gz NSONJWNAKBZDJC-OWCLPIDISA-N 2 1 352.483 -0.022 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129326865 839233131 /nfs/dbraw/zinc/23/31/31/839233131.db2.gz NSONJWNAKBZDJC-OWCLPIDISA-N 2 1 352.483 -0.022 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129326866 839232677 /nfs/dbraw/zinc/23/26/77/839232677.db2.gz NSONJWNAKBZDJC-PMPSAXMXSA-N 2 1 352.483 -0.022 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129326866 839232671 /nfs/dbraw/zinc/23/26/71/839232671.db2.gz NSONJWNAKBZDJC-PMPSAXMXSA-N 2 1 352.483 -0.022 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337490 839310570 /nfs/dbraw/zinc/31/05/70/839310570.db2.gz KCXIOXWPQKXPHF-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337491 839310747 /nfs/dbraw/zinc/31/07/47/839310747.db2.gz KCXIOXWPQKXPHF-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319230 /nfs/dbraw/zinc/31/92/30/839319230.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319216 /nfs/dbraw/zinc/31/92/16/839319216.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319204 /nfs/dbraw/zinc/31/92/04/839319204.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318177 /nfs/dbraw/zinc/31/81/77/839318177.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318168 /nfs/dbraw/zinc/31/81/68/839318168.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318156 /nfs/dbraw/zinc/31/81/56/839318156.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384745 839352838 /nfs/dbraw/zinc/35/28/38/839352838.db2.gz AIABAMAHJBSABS-CABCVRRESA-N 2 1 354.455 -0.766 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384745 839352823 /nfs/dbraw/zinc/35/28/23/839352823.db2.gz AIABAMAHJBSABS-CABCVRRESA-N 2 1 354.455 -0.766 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129384767 839352977 /nfs/dbraw/zinc/35/29/77/839352977.db2.gz AOUIXCXPGINGKR-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384781 839352739 /nfs/dbraw/zinc/35/27/39/839352739.db2.gz AYAURLSCXCYPAT-KFWWJZLASA-N 2 1 356.446 -0.054 20 0 FBADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384793 839351934 /nfs/dbraw/zinc/35/19/34/839351934.db2.gz AYAURLSCXCYPAT-ZNMIVQPWSA-N 2 1 356.446 -0.054 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129385102 839354706 /nfs/dbraw/zinc/35/47/06/839354706.db2.gz HXERYOBWAJGDNE-CVEARBPZSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385345 839353310 /nfs/dbraw/zinc/35/33/10/839353310.db2.gz KEMHXGLEJXHSSN-CABCVRRESA-N 2 1 354.455 -0.766 20 0 FBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385521 839353354 /nfs/dbraw/zinc/35/33/54/839353354.db2.gz OTHPYYNVHGWUQU-KFWWJZLASA-N 2 1 354.455 -0.767 20 0 FBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385603 839354784 /nfs/dbraw/zinc/35/47/84/839354784.db2.gz OTHPYYNVHGWUQU-ZNMIVQPWSA-N 2 1 354.455 -0.767 20 0 FBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385679 839356954 /nfs/dbraw/zinc/35/69/54/839356954.db2.gz QQTVRQXYWUJGFT-KFWWJZLASA-N 2 1 354.455 -0.767 20 0 FBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385685 839355973 /nfs/dbraw/zinc/35/59/73/839355973.db2.gz QQTVRQXYWUJGFT-ZNMIVQPWSA-N 2 1 354.455 -0.767 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385848 839358226 /nfs/dbraw/zinc/35/82/26/839358226.db2.gz SKPJHQOCCOAEJQ-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385848 839358217 /nfs/dbraw/zinc/35/82/17/839358217.db2.gz SKPJHQOCCOAEJQ-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385848 839358205 /nfs/dbraw/zinc/35/82/05/839358205.db2.gz SKPJHQOCCOAEJQ-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385851 839358454 /nfs/dbraw/zinc/35/84/54/839358454.db2.gz SKPJHQOCCOAEJQ-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385851 839358440 /nfs/dbraw/zinc/35/84/40/839358440.db2.gz SKPJHQOCCOAEJQ-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385851 839358428 /nfs/dbraw/zinc/35/84/28/839358428.db2.gz SKPJHQOCCOAEJQ-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386073 839357889 /nfs/dbraw/zinc/35/78/89/839357889.db2.gz XCHVWZAYJZPHNU-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386073 839357880 /nfs/dbraw/zinc/35/78/80/839357880.db2.gz XCHVWZAYJZPHNU-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386073 839357873 /nfs/dbraw/zinc/35/78/73/839357873.db2.gz XCHVWZAYJZPHNU-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386074 839359153 /nfs/dbraw/zinc/35/91/53/839359153.db2.gz XCHVWZAYJZPHNU-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386074 839359142 /nfs/dbraw/zinc/35/91/42/839359142.db2.gz XCHVWZAYJZPHNU-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386074 839359133 /nfs/dbraw/zinc/35/91/33/839359133.db2.gz XCHVWZAYJZPHNU-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407171 839499276 /nfs/dbraw/zinc/49/92/76/839499276.db2.gz GYNFRIZOHIFYPS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407171 839499267 /nfs/dbraw/zinc/49/92/67/839499267.db2.gz GYNFRIZOHIFYPS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407171 839499258 /nfs/dbraw/zinc/49/92/58/839499258.db2.gz GYNFRIZOHIFYPS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407172 839499693 /nfs/dbraw/zinc/49/96/93/839499693.db2.gz GYNFRIZOHIFYPS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407172 839499684 /nfs/dbraw/zinc/49/96/84/839499684.db2.gz GYNFRIZOHIFYPS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407172 839499680 /nfs/dbraw/zinc/49/96/80/839499680.db2.gz GYNFRIZOHIFYPS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433479 839503061 /nfs/dbraw/zinc/50/30/61/839503061.db2.gz BJRHMIHPSCAZLV-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433480 839502432 /nfs/dbraw/zinc/50/24/32/839502432.db2.gz BJRHMIHPSCAZLV-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433535 839504426 /nfs/dbraw/zinc/50/44/26/839504426.db2.gz FTSCEHVKDLHZBO-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433536 839504873 /nfs/dbraw/zinc/50/48/73/839504873.db2.gz FTSCEHVKDLHZBO-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433550 839504008 /nfs/dbraw/zinc/50/40/08/839504008.db2.gz GKFJATPEXHZQCS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433550 839504000 /nfs/dbraw/zinc/50/40/00/839504000.db2.gz GKFJATPEXHZQCS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433550 839503998 /nfs/dbraw/zinc/50/39/98/839503998.db2.gz GKFJATPEXHZQCS-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433551 839504280 /nfs/dbraw/zinc/50/42/80/839504280.db2.gz GKFJATPEXHZQCS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433551 839504275 /nfs/dbraw/zinc/50/42/75/839504275.db2.gz GKFJATPEXHZQCS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433551 839504270 /nfs/dbraw/zinc/50/42/70/839504270.db2.gz GKFJATPEXHZQCS-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504243 /nfs/dbraw/zinc/50/42/43/839504243.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504238 /nfs/dbraw/zinc/50/42/38/839504238.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504232 /nfs/dbraw/zinc/50/42/32/839504232.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503868 /nfs/dbraw/zinc/50/38/68/839503868.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503861 /nfs/dbraw/zinc/50/38/61/839503861.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503854 /nfs/dbraw/zinc/50/38/54/839503854.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433622 839504057 /nfs/dbraw/zinc/50/40/57/839504057.db2.gz JGOKKBSMSOVXEL-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433622 839504052 /nfs/dbraw/zinc/50/40/52/839504052.db2.gz JGOKKBSMSOVXEL-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433623 839503802 /nfs/dbraw/zinc/50/38/02/839503802.db2.gz JGOKKBSMSOVXEL-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433623 839503793 /nfs/dbraw/zinc/50/37/93/839503793.db2.gz JGOKKBSMSOVXEL-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433684 839503955 /nfs/dbraw/zinc/50/39/55/839503955.db2.gz MLQFBDGRNKMVMU-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433684 839503950 /nfs/dbraw/zinc/50/39/50/839503950.db2.gz MLQFBDGRNKMVMU-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433684 839503946 /nfs/dbraw/zinc/50/39/46/839503946.db2.gz MLQFBDGRNKMVMU-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433685 839504823 /nfs/dbraw/zinc/50/48/23/839504823.db2.gz MLQFBDGRNKMVMU-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433685 839504812 /nfs/dbraw/zinc/50/48/12/839504812.db2.gz MLQFBDGRNKMVMU-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433685 839504802 /nfs/dbraw/zinc/50/48/02/839504802.db2.gz MLQFBDGRNKMVMU-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129437846 839503658 /nfs/dbraw/zinc/50/36/58/839503658.db2.gz HTKNZEGPNOKHCX-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129437846 839503647 /nfs/dbraw/zinc/50/36/47/839503647.db2.gz HTKNZEGPNOKHCX-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453630 839502047 /nfs/dbraw/zinc/50/20/47/839502047.db2.gz FTFUEQXBSRTZLP-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453631 839502969 /nfs/dbraw/zinc/50/29/69/839502969.db2.gz FTFUEQXBSRTZLP-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453884 839502932 /nfs/dbraw/zinc/50/29/32/839502932.db2.gz NIVMUHYWXRPLAR-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453885 839502123 /nfs/dbraw/zinc/50/21/23/839502123.db2.gz NIVMUHYWXRPLAR-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129453944 839502634 /nfs/dbraw/zinc/50/26/34/839502634.db2.gz RSIKTSQLCNUVAA-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129453995 839503130 /nfs/dbraw/zinc/50/31/30/839503130.db2.gz SVIWIXMVRGBSSZ-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460305 839507073 /nfs/dbraw/zinc/50/70/73/839507073.db2.gz JBBFSFSNIDBETB-OWCLPIDISA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460305 839507057 /nfs/dbraw/zinc/50/70/57/839507057.db2.gz JBBFSFSNIDBETB-OWCLPIDISA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460306 839507373 /nfs/dbraw/zinc/50/73/73/839507373.db2.gz JBBFSFSNIDBETB-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460306 839507365 /nfs/dbraw/zinc/50/73/65/839507365.db2.gz JBBFSFSNIDBETB-PMPSAXMXSA-N 2 1 350.467 -0.268 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465931 839504553 /nfs/dbraw/zinc/50/45/53/839504553.db2.gz UNTMQCBIWVNLSG-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465931 839504546 /nfs/dbraw/zinc/50/45/46/839504546.db2.gz UNTMQCBIWVNLSG-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465931 839504536 /nfs/dbraw/zinc/50/45/36/839504536.db2.gz UNTMQCBIWVNLSG-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465932 839504209 /nfs/dbraw/zinc/50/42/09/839504209.db2.gz UNTMQCBIWVNLSG-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465932 839504206 /nfs/dbraw/zinc/50/42/06/839504206.db2.gz UNTMQCBIWVNLSG-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465932 839504198 /nfs/dbraw/zinc/50/41/98/839504198.db2.gz UNTMQCBIWVNLSG-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129484891 839510333 /nfs/dbraw/zinc/51/03/33/839510333.db2.gz OAUSFUAUAHWVMV-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129484891 839510324 /nfs/dbraw/zinc/51/03/24/839510324.db2.gz OAUSFUAUAHWVMV-CVEARBPZSA-N 2 1 350.467 -0.122 20 0 FBADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716725 839537000 /nfs/dbraw/zinc/53/70/00/839537000.db2.gz AFZCHLACQXWBME-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716725 839536990 /nfs/dbraw/zinc/53/69/90/839536990.db2.gz AFZCHLACQXWBME-OWCLPIDISA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716736 839536469 /nfs/dbraw/zinc/53/64/69/839536469.db2.gz AFZCHLACQXWBME-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716736 839536465 /nfs/dbraw/zinc/53/64/65/839536465.db2.gz AFZCHLACQXWBME-PMPSAXMXSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837440 839549402 /nfs/dbraw/zinc/54/94/02/839549402.db2.gz DRDPYXPKHFKRAO-OAGGEKHMSA-N 2 1 350.467 -0.125 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837443 839548936 /nfs/dbraw/zinc/54/89/36/839548936.db2.gz DRDPYXPKHFKRAO-PMPSAXMXSA-N 2 1 350.467 -0.125 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129849938 839548300 /nfs/dbraw/zinc/54/83/00/839548300.db2.gz CVANEPMZEXYABL-JJXSEGSLSA-N 2 1 350.467 -0.268 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129849949 839548028 /nfs/dbraw/zinc/54/80/28/839548028.db2.gz DKRSUNBYAKTLDQ-JJXSEGSLSA-N 2 1 350.467 -0.004 20 0 FBADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854965 839548211 /nfs/dbraw/zinc/54/82/11/839548211.db2.gz DMPLHUNDHSXSRN-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858276 839547660 /nfs/dbraw/zinc/54/76/60/839547660.db2.gz TUXMSZKYYVVSLV-FPCVCCKLSA-N 2 1 350.467 -0.004 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129884293 839551367 /nfs/dbraw/zinc/55/13/67/839551367.db2.gz JGONGNXLJBDQKA-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129884295 839551700 /nfs/dbraw/zinc/55/17/00/839551700.db2.gz JGONGNXLJBDQKA-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129900057 839557661 /nfs/dbraw/zinc/55/76/61/839557661.db2.gz YUDGFGHBOPEEPQ-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129900058 839557356 /nfs/dbraw/zinc/55/73/56/839557356.db2.gz YUDGFGHBOPEEPQ-XHSDSOJGSA-N 2 1 350.467 -0.124 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)O1 ZINC001129912657 839554276 /nfs/dbraw/zinc/55/42/76/839554276.db2.gz UIUZNLINOGVXRG-APIJFGDWSA-N 2 1 354.430 -0.302 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)O1 ZINC001129912657 839554267 /nfs/dbraw/zinc/55/42/67/839554267.db2.gz UIUZNLINOGVXRG-APIJFGDWSA-N 2 1 354.430 -0.302 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129918728 839559605 /nfs/dbraw/zinc/55/96/05/839559605.db2.gz HKTHYQRUXBCBED-OLZOCXBDSA-N 2 1 351.455 -0.904 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919203 839559678 /nfs/dbraw/zinc/55/96/78/839559678.db2.gz QHEYUZNWZFXWJI-UPJWGTAASA-N 2 1 351.455 -0.776 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919204 839560415 /nfs/dbraw/zinc/56/04/15/839560415.db2.gz QHEYUZNWZFXWJI-XQQFMLRXSA-N 2 1 351.455 -0.776 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129980401 839566424 /nfs/dbraw/zinc/56/64/24/839566424.db2.gz JIXPQSVLEZQQQC-JONQDZQNSA-N 2 1 350.467 -0.268 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980678 839566214 /nfs/dbraw/zinc/56/62/14/839566214.db2.gz SRONRIFRHDVRDY-JONQDZQNSA-N 2 1 350.467 -0.004 20 0 FBADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992138 839568689 /nfs/dbraw/zinc/56/86/89/839568689.db2.gz MOHUPMVDUKPJEK-OLZOCXBDSA-N 2 1 364.479 -0.069 20 0 FBADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005973 839571045 /nfs/dbraw/zinc/57/10/45/839571045.db2.gz NKURNTBAQVMYRY-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005974 839571293 /nfs/dbraw/zinc/57/12/93/839571293.db2.gz NKURNTBAQVMYRY-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006038 839571472 /nfs/dbraw/zinc/57/14/72/839571472.db2.gz QBUPHISVIRNBGK-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006039 839571686 /nfs/dbraw/zinc/57/16/86/839571686.db2.gz QBUPHISVIRNBGK-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011927 839569887 /nfs/dbraw/zinc/56/98/87/839569887.db2.gz FNQUSPPOXYLRTJ-CABCVRRESA-N 2 1 352.483 -0.020 20 0 FBADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012020 839570403 /nfs/dbraw/zinc/57/04/03/839570403.db2.gz JRTSFRKLJOOXJI-KFWWJZLASA-N 2 1 352.483 -0.022 20 0 FBADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012021 839570429 /nfs/dbraw/zinc/57/04/29/839570429.db2.gz JRTSFRKLJOOXJI-ZNMIVQPWSA-N 2 1 352.483 -0.022 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130012055 839569622 /nfs/dbraw/zinc/56/96/22/839569622.db2.gz MDJGRCNSRXWIJN-CABCVRRESA-N 2 1 350.467 -0.266 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012089 839570083 /nfs/dbraw/zinc/57/00/83/839570083.db2.gz NZYPTAFLQXWORL-CABCVRRESA-N 2 1 350.467 -0.002 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130012214 839570529 /nfs/dbraw/zinc/57/05/29/839570529.db2.gz VLTJPFBAGWGQKW-OLZOCXBDSA-N 2 1 351.455 -0.917 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130041024 839572612 /nfs/dbraw/zinc/57/26/12/839572612.db2.gz YHONRSYQJBBKJO-CABCVRRESA-N 2 1 354.430 -0.299 20 0 FBADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130075112 839577380 /nfs/dbraw/zinc/57/73/80/839577380.db2.gz MBGUESFMGUNSEX-MCIONIFRSA-N 2 1 351.455 -0.775 20 0 FBADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130075113 839578952 /nfs/dbraw/zinc/57/89/52/839578952.db2.gz MBGUESFMGUNSEX-MJBXVCDLSA-N 2 1 351.455 -0.775 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130075134 839578574 /nfs/dbraw/zinc/57/85/74/839578574.db2.gz NKPCTGJZUMAOJR-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130075135 839578591 /nfs/dbraw/zinc/57/85/91/839578591.db2.gz NKPCTGJZUMAOJR-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081281 839577211 /nfs/dbraw/zinc/57/72/11/839577211.db2.gz HBWAEQSCSAWDFK-KGLIPLIRSA-N 2 1 351.455 -0.903 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130081511 839577484 /nfs/dbraw/zinc/57/74/84/839577484.db2.gz SAMTVHPIRMSWHW-KGLIPLIRSA-N 2 1 351.455 -0.950 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130081545 839577644 /nfs/dbraw/zinc/57/76/44/839577644.db2.gz VBAGBKAETOARDJ-MCIONIFRSA-N 2 1 351.455 -0.904 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130081546 839577275 /nfs/dbraw/zinc/57/72/75/839577275.db2.gz VBAGBKAETOARDJ-MJBXVCDLSA-N 2 1 351.455 -0.904 20 0 FBADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086211 839577569 /nfs/dbraw/zinc/57/75/69/839577569.db2.gz PSQBWLVCLRUGLD-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086212 839577685 /nfs/dbraw/zinc/57/76/85/839577685.db2.gz PSQBWLVCLRUGLD-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086321 839577246 /nfs/dbraw/zinc/57/72/46/839577246.db2.gz VYFUHJGBGOUSBC-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086322 839577133 /nfs/dbraw/zinc/57/71/33/839577133.db2.gz VYFUHJGBGOUSBC-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130096608 839579363 /nfs/dbraw/zinc/57/93/63/839579363.db2.gz MHQIIIJWSMTDQC-KGLIPLIRSA-N 2 1 351.455 -0.903 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130096662 839580101 /nfs/dbraw/zinc/58/01/01/839580101.db2.gz OWGYCQRPWMYOEA-MCIONIFRSA-N 2 1 351.455 -0.775 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130096663 839579722 /nfs/dbraw/zinc/57/97/22/839579722.db2.gz OWGYCQRPWMYOEA-MJBXVCDLSA-N 2 1 351.455 -0.775 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107022 839581491 /nfs/dbraw/zinc/58/14/91/839581491.db2.gz DZBAHCHOZSUKFA-MCIONIFRSA-N 2 1 351.455 -0.904 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107023 839580944 /nfs/dbraw/zinc/58/09/44/839580944.db2.gz DZBAHCHOZSUKFA-MJBXVCDLSA-N 2 1 351.455 -0.904 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107412 839581237 /nfs/dbraw/zinc/58/12/37/839581237.db2.gz PEMUMCXOIXCKAW-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107413 839581615 /nfs/dbraw/zinc/58/16/15/839581615.db2.gz PEMUMCXOIXCKAW-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107681 839581759 /nfs/dbraw/zinc/58/17/59/839581759.db2.gz VJJOFQAXLOITDQ-MCIONIFRSA-N 2 1 351.455 -0.775 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107682 839581643 /nfs/dbraw/zinc/58/16/43/839581643.db2.gz VJJOFQAXLOITDQ-MJBXVCDLSA-N 2 1 351.455 -0.775 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130107707 839580802 /nfs/dbraw/zinc/58/08/02/839580802.db2.gz WYTBFQUMABWLCZ-KGLIPLIRSA-N 2 1 351.455 -0.950 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001130107749 839581350 /nfs/dbraw/zinc/58/13/50/839581350.db2.gz ZPBIHOZSMDRWLD-KGLIPLIRSA-N 2 1 351.455 -0.903 20 0 FBADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122917 839583503 /nfs/dbraw/zinc/58/35/03/839583503.db2.gz BMCAYPJSTIHGRS-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122918 839583776 /nfs/dbraw/zinc/58/37/76/839583776.db2.gz BMCAYPJSTIHGRS-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123349 839583483 /nfs/dbraw/zinc/58/34/83/839583483.db2.gz OFTOURABXNXDMZ-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123350 839583563 /nfs/dbraw/zinc/58/35/63/839583563.db2.gz OFTOURABXNXDMZ-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123608 839583714 /nfs/dbraw/zinc/58/37/14/839583714.db2.gz VYXJZFMAWXLRIK-OAGGEKHMSA-N 2 1 350.467 -0.002 20 0 FBADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123609 839584009 /nfs/dbraw/zinc/58/40/09/839584009.db2.gz VYXJZFMAWXLRIK-XHSDSOJGSA-N 2 1 350.467 -0.002 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130132950 839583965 /nfs/dbraw/zinc/58/39/65/839583965.db2.gz YBFXPJYMGLWDCW-ILXRZTDVSA-N 2 1 354.430 -0.300 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130132950 839583952 /nfs/dbraw/zinc/58/39/52/839583952.db2.gz YBFXPJYMGLWDCW-ILXRZTDVSA-N 2 1 354.430 -0.300 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130132951 839584058 /nfs/dbraw/zinc/58/40/58/839584058.db2.gz YBFXPJYMGLWDCW-QLFBSQMISA-N 2 1 354.430 -0.300 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130132951 839584047 /nfs/dbraw/zinc/58/40/47/839584047.db2.gz YBFXPJYMGLWDCW-QLFBSQMISA-N 2 1 354.430 -0.300 20 0 FBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136995 839584588 /nfs/dbraw/zinc/58/45/88/839584588.db2.gz CXSAPIATAUDEFP-MCIONIFRSA-N 2 1 351.455 -0.906 20 0 FBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136996 839585303 /nfs/dbraw/zinc/58/53/03/839585303.db2.gz CXSAPIATAUDEFP-MJBXVCDLSA-N 2 1 351.455 -0.906 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137185 839584923 /nfs/dbraw/zinc/58/49/23/839584923.db2.gz NBOISISQBBQAKH-KGLIPLIRSA-N 2 1 351.455 -0.904 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137224 839585131 /nfs/dbraw/zinc/58/51/31/839585131.db2.gz ODDBUASXSBTAEQ-OAGGEKHMSA-N 2 1 350.467 -0.124 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137225 839584871 /nfs/dbraw/zinc/58/48/71/839584871.db2.gz ODDBUASXSBTAEQ-PMPSAXMXSA-N 2 1 350.467 -0.124 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130137250 839584981 /nfs/dbraw/zinc/58/49/81/839584981.db2.gz PQEPTKAILISVQO-KGLIPLIRSA-N 2 1 351.455 -0.952 20 0 FBADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130137291 839585217 /nfs/dbraw/zinc/58/52/17/839585217.db2.gz ROQVSKSLLUWMQA-MCIONIFRSA-N 2 1 351.455 -0.776 20 0 FBADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130137292 839584695 /nfs/dbraw/zinc/58/46/95/839584695.db2.gz ROQVSKSLLUWMQA-MJBXVCDLSA-N 2 1 351.455 -0.776 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137400 839584843 /nfs/dbraw/zinc/58/48/43/839584843.db2.gz XLLWVYSCAKKHNU-OAGGEKHMSA-N 2 1 350.467 -0.004 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137401 839584898 /nfs/dbraw/zinc/58/48/98/839584898.db2.gz XLLWVYSCAKKHNU-XHSDSOJGSA-N 2 1 350.467 -0.004 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180090 839593279 /nfs/dbraw/zinc/59/32/79/839593279.db2.gz AJAGARRNLULPIM-FRRDWIJNSA-N 2 1 350.423 -0.772 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180090 839593277 /nfs/dbraw/zinc/59/32/77/839593277.db2.gz AJAGARRNLULPIM-FRRDWIJNSA-N 2 1 350.423 -0.772 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180091 839591986 /nfs/dbraw/zinc/59/19/86/839591986.db2.gz AJAGARRNLULPIM-JHJVBQTASA-N 2 1 350.423 -0.772 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180091 839591973 /nfs/dbraw/zinc/59/19/73/839591973.db2.gz AJAGARRNLULPIM-JHJVBQTASA-N 2 1 350.423 -0.772 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182265 839588356 /nfs/dbraw/zinc/58/83/56/839588356.db2.gz AKNABXXADBIAEZ-GRYCIOLGSA-N 2 1 366.384 -0.426 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182265 839588345 /nfs/dbraw/zinc/58/83/45/839588345.db2.gz AKNABXXADBIAEZ-GRYCIOLGSA-N 2 1 366.384 -0.426 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182266 839588778 /nfs/dbraw/zinc/58/87/78/839588778.db2.gz AKNABXXADBIAEZ-IJLUTSLNSA-N 2 1 366.384 -0.426 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182266 839588772 /nfs/dbraw/zinc/58/87/72/839588772.db2.gz AKNABXXADBIAEZ-IJLUTSLNSA-N 2 1 366.384 -0.426 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)O1 ZINC001130182273 839588848 /nfs/dbraw/zinc/58/88/48/839588848.db2.gz APMBWBOBLYICIN-GRYCIOLGSA-N 2 1 357.373 -0.649 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)O1 ZINC001130182273 839588841 /nfs/dbraw/zinc/58/88/41/839588841.db2.gz APMBWBOBLYICIN-GRYCIOLGSA-N 2 1 357.373 -0.649 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)O1 ZINC001130182274 839589100 /nfs/dbraw/zinc/58/91/00/839589100.db2.gz APMBWBOBLYICIN-IJLUTSLNSA-N 2 1 357.373 -0.649 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)O1 ZINC001130182274 839589094 /nfs/dbraw/zinc/58/90/94/839589094.db2.gz APMBWBOBLYICIN-IJLUTSLNSA-N 2 1 357.373 -0.649 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccs2)O1 ZINC001130182410 839593203 /nfs/dbraw/zinc/59/32/03/839593203.db2.gz GTEBYGBQNWFQJY-TZMCWYRMSA-N 2 1 354.476 -0.211 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccs2)O1 ZINC001130182410 839593198 /nfs/dbraw/zinc/59/31/98/839593198.db2.gz GTEBYGBQNWFQJY-TZMCWYRMSA-N 2 1 354.476 -0.211 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182485 839589253 /nfs/dbraw/zinc/58/92/53/839589253.db2.gz KGNBZBPHKFQFPN-GRYCIOLGSA-N 2 1 355.464 -0.105 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182485 839589248 /nfs/dbraw/zinc/58/92/48/839589248.db2.gz KGNBZBPHKFQFPN-GRYCIOLGSA-N 2 1 355.464 -0.105 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182486 839591027 /nfs/dbraw/zinc/59/10/27/839591027.db2.gz KGNBZBPHKFQFPN-IJLUTSLNSA-N 2 1 355.464 -0.105 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182486 839591021 /nfs/dbraw/zinc/59/10/21/839591021.db2.gz KGNBZBPHKFQFPN-IJLUTSLNSA-N 2 1 355.464 -0.105 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)O1 ZINC001130182652 839600609 /nfs/dbraw/zinc/60/06/09/839600609.db2.gz RGDNBYRNWSVZKY-UKRRQHHQSA-N 2 1 368.503 -0.168 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)O1 ZINC001130182652 839600608 /nfs/dbraw/zinc/60/06/08/839600608.db2.gz RGDNBYRNWSVZKY-UKRRQHHQSA-N 2 1 368.503 -0.168 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)O1 ZINC001130182697 839600617 /nfs/dbraw/zinc/60/06/17/839600617.db2.gz UBXNVEWKDDAXDG-CHWSQXEVSA-N 2 1 353.471 -0.605 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)O1 ZINC001130182697 839600616 /nfs/dbraw/zinc/60/06/16/839600616.db2.gz UBXNVEWKDDAXDG-CHWSQXEVSA-N 2 1 353.471 -0.605 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)O1 ZINC001130182722 839600342 /nfs/dbraw/zinc/60/03/42/839600342.db2.gz UVYOOMLXFUTJRC-VXGBXAGGSA-N 2 1 357.455 -0.964 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)O1 ZINC001130182722 839600337 /nfs/dbraw/zinc/60/03/37/839600337.db2.gz UVYOOMLXFUTJRC-VXGBXAGGSA-N 2 1 357.455 -0.964 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2)O1 ZINC001130182738 839600173 /nfs/dbraw/zinc/60/01/73/839600173.db2.gz VRXWMRMAKRIBPE-BFYDXBDKSA-N 2 1 351.447 -0.149 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2)O1 ZINC001130182738 839600165 /nfs/dbraw/zinc/60/01/65/839600165.db2.gz VRXWMRMAKRIBPE-BFYDXBDKSA-N 2 1 351.447 -0.149 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2)O1 ZINC001130182739 839600129 /nfs/dbraw/zinc/60/01/29/839600129.db2.gz VRXWMRMAKRIBPE-HLLBOEOZSA-N 2 1 351.447 -0.149 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2)O1 ZINC001130182739 839600123 /nfs/dbraw/zinc/60/01/23/839600123.db2.gz VRXWMRMAKRIBPE-HLLBOEOZSA-N 2 1 351.447 -0.149 20 0 FBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001130182819 839600359 /nfs/dbraw/zinc/60/03/59/839600359.db2.gz WVNZJYIQZVZVRQ-UMVBOHGHSA-N 2 1 352.435 -0.118 20 0 FBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001130182819 839600356 /nfs/dbraw/zinc/60/03/56/839600356.db2.gz WVNZJYIQZVZVRQ-UMVBOHGHSA-N 2 1 352.435 -0.118 20 0 FBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001130182821 839600643 /nfs/dbraw/zinc/60/06/43/839600643.db2.gz WVNZJYIQZVZVRQ-VNHYZAJKSA-N 2 1 352.435 -0.118 20 0 FBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001130182821 839600641 /nfs/dbraw/zinc/60/06/41/839600641.db2.gz WVNZJYIQZVZVRQ-VNHYZAJKSA-N 2 1 352.435 -0.118 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(C2CC2)C2CC2)O1 ZINC001130182868 839600595 /nfs/dbraw/zinc/60/05/95/839600595.db2.gz YLSNECXGDIXHHA-IUODEOHRSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(C2CC2)C2CC2)O1 ZINC001130182868 839600593 /nfs/dbraw/zinc/60/05/93/839600593.db2.gz YLSNECXGDIXHHA-IUODEOHRSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184169 839600201 /nfs/dbraw/zinc/60/02/01/839600201.db2.gz DVDASDYGELIDCV-UMVBOHGHSA-N 2 1 352.435 -0.291 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184169 839600194 /nfs/dbraw/zinc/60/01/94/839600194.db2.gz DVDASDYGELIDCV-UMVBOHGHSA-N 2 1 352.435 -0.291 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184170 839600013 /nfs/dbraw/zinc/60/00/13/839600013.db2.gz DVDASDYGELIDCV-VNHYZAJKSA-N 2 1 352.435 -0.291 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184170 839599997 /nfs/dbraw/zinc/59/99/97/839599997.db2.gz DVDASDYGELIDCV-VNHYZAJKSA-N 2 1 352.435 -0.291 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184184 839600613 /nfs/dbraw/zinc/60/06/13/839600613.db2.gz FOMUXWDVFDRIKK-FRRDWIJNSA-N 2 1 357.455 -0.966 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184184 839600612 /nfs/dbraw/zinc/60/06/12/839600612.db2.gz FOMUXWDVFDRIKK-FRRDWIJNSA-N 2 1 357.455 -0.966 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184185 839599939 /nfs/dbraw/zinc/59/99/39/839599939.db2.gz FOMUXWDVFDRIKK-JHJVBQTASA-N 2 1 357.455 -0.966 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184185 839599926 /nfs/dbraw/zinc/59/99/26/839599926.db2.gz FOMUXWDVFDRIKK-JHJVBQTASA-N 2 1 357.455 -0.966 20 0 FBADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184215 839600621 /nfs/dbraw/zinc/60/06/21/839600621.db2.gz GNXCVEXDBPDDLY-ZWNOBZJWSA-N 2 1 352.439 -0.610 20 0 FBADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184215 839600620 /nfs/dbraw/zinc/60/06/20/839600620.db2.gz GNXCVEXDBPDDLY-ZWNOBZJWSA-N 2 1 352.439 -0.610 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184257 839600673 /nfs/dbraw/zinc/60/06/73/839600673.db2.gz IJTQYOFQZZCCRA-QLFBSQMISA-N 2 1 358.483 -0.657 20 0 FBADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184257 839600670 /nfs/dbraw/zinc/60/06/70/839600670.db2.gz IJTQYOFQZZCCRA-QLFBSQMISA-N 2 1 358.483 -0.657 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184258 839600449 /nfs/dbraw/zinc/60/04/49/839600449.db2.gz IJTQYOFQZZCCRA-RBSFLKMASA-N 2 1 358.483 -0.657 20 0 FBADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184258 839600444 /nfs/dbraw/zinc/60/04/44/839600444.db2.gz IJTQYOFQZZCCRA-RBSFLKMASA-N 2 1 358.483 -0.657 20 0 FBADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184284 839600732 /nfs/dbraw/zinc/60/07/32/839600732.db2.gz JTSRFJTWQVJJST-HUUCEWRRSA-N 2 1 358.483 -0.657 20 0 FBADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184284 839600728 /nfs/dbraw/zinc/60/07/28/839600728.db2.gz JTSRFJTWQVJJST-HUUCEWRRSA-N 2 1 358.483 -0.657 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)O1 ZINC001130184320 839600251 /nfs/dbraw/zinc/60/02/51/839600251.db2.gz LRXZNFLUZOMTJR-UKRRQHHQSA-N 2 1 368.503 -0.168 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)O1 ZINC001130184320 839600245 /nfs/dbraw/zinc/60/02/45/839600245.db2.gz LRXZNFLUZOMTJR-UKRRQHHQSA-N 2 1 368.503 -0.168 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccco2)O1 ZINC001130184349 839600428 /nfs/dbraw/zinc/60/04/28/839600428.db2.gz MPWMECBMEOVGMT-UKRRQHHQSA-N 2 1 352.435 -0.337 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccco2)O1 ZINC001130184349 839600423 /nfs/dbraw/zinc/60/04/23/839600423.db2.gz MPWMECBMEOVGMT-UKRRQHHQSA-N 2 1 352.435 -0.337 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)O1 ZINC001130184363 839599803 /nfs/dbraw/zinc/59/98/03/839599803.db2.gz NFHVSMLBFIRTFD-IIAWOOMASA-N 2 1 355.435 -0.418 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)O1 ZINC001130184363 839599790 /nfs/dbraw/zinc/59/97/90/839599790.db2.gz NFHVSMLBFIRTFD-IIAWOOMASA-N 2 1 355.435 -0.418 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)O1 ZINC001130184364 839602300 /nfs/dbraw/zinc/60/23/00/839602300.db2.gz NFHVSMLBFIRTFD-IJEWVQPXSA-N 2 1 355.435 -0.418 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)O1 ZINC001130184364 839602296 /nfs/dbraw/zinc/60/22/96/839602296.db2.gz NFHVSMLBFIRTFD-IJEWVQPXSA-N 2 1 355.435 -0.418 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(O)cc2)O1 ZINC001130184403 839602809 /nfs/dbraw/zinc/60/28/09/839602809.db2.gz OWSRYDBRQHXZQA-IUODEOHRSA-N 2 1 350.419 -0.244 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(O)cc2)O1 ZINC001130184403 839602802 /nfs/dbraw/zinc/60/28/02/839602802.db2.gz OWSRYDBRQHXZQA-IUODEOHRSA-N 2 1 350.419 -0.244 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n(C)n1 ZINC001130184423 839602126 /nfs/dbraw/zinc/60/21/26/839602126.db2.gz PLMHAGUUXJJWLW-CHWSQXEVSA-N 2 1 352.439 -0.908 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n(C)n1 ZINC001130184423 839602116 /nfs/dbraw/zinc/60/21/16/839602116.db2.gz PLMHAGUUXJJWLW-CHWSQXEVSA-N 2 1 352.439 -0.908 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F)O1 ZINC001130184530 839601952 /nfs/dbraw/zinc/60/19/52/839601952.db2.gz UQYONQRQCGSCTA-GHMZBOCLSA-N 2 1 354.373 -0.568 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F)O1 ZINC001130184530 839601945 /nfs/dbraw/zinc/60/19/45/839601945.db2.gz UQYONQRQCGSCTA-GHMZBOCLSA-N 2 1 354.373 -0.568 20 0 FBADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184599 839601933 /nfs/dbraw/zinc/60/19/33/839601933.db2.gz VWCLYINJNWOKHC-CHWSQXEVSA-N 2 1 357.455 -0.963 20 0 FBADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184599 839601929 /nfs/dbraw/zinc/60/19/29/839601929.db2.gz VWCLYINJNWOKHC-CHWSQXEVSA-N 2 1 357.455 -0.963 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184761 839602226 /nfs/dbraw/zinc/60/22/26/839602226.db2.gz ZTOAESMHGJAXGA-GMTAPVOTSA-N 2 1 354.373 -0.522 20 0 FBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184761 839602221 /nfs/dbraw/zinc/60/22/21/839602221.db2.gz ZTOAESMHGJAXGA-GMTAPVOTSA-N 2 1 354.373 -0.522 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184762 839602616 /nfs/dbraw/zinc/60/26/16/839602616.db2.gz ZTOAESMHGJAXGA-OUAUKWLOSA-N 2 1 354.373 -0.522 20 0 FBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184762 839602603 /nfs/dbraw/zinc/60/26/03/839602603.db2.gz ZTOAESMHGJAXGA-OUAUKWLOSA-N 2 1 354.373 -0.522 20 0 FBADMP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)[NH+](C)C ZINC001130221152 839607384 /nfs/dbraw/zinc/60/73/84/839607384.db2.gz XCQNOHOXFYXGDV-XQQFMLRXSA-N 2 1 354.455 -0.785 20 0 FBADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130232618 839609436 /nfs/dbraw/zinc/60/94/36/839609436.db2.gz LEDMKCRGDCELFO-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130232618 839609430 /nfs/dbraw/zinc/60/94/30/839609430.db2.gz LEDMKCRGDCELFO-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130234588 839609506 /nfs/dbraw/zinc/60/95/06/839609506.db2.gz CGWVPMLLMYRKMM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130234588 839609503 /nfs/dbraw/zinc/60/95/03/839609503.db2.gz CGWVPMLLMYRKMM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234620 839609537 /nfs/dbraw/zinc/60/95/37/839609537.db2.gz FCGJRNCXBVVNMB-AGIUHOORSA-N 2 1 354.455 -0.785 20 0 FBADMP C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234620 839609533 /nfs/dbraw/zinc/60/95/33/839609533.db2.gz FCGJRNCXBVVNMB-AGIUHOORSA-N 2 1 354.455 -0.785 20 0 FBADMP C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234621 839609306 /nfs/dbraw/zinc/60/93/06/839609306.db2.gz FCGJRNCXBVVNMB-AVGNSLFASA-N 2 1 354.455 -0.785 20 0 FBADMP C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234621 839609300 /nfs/dbraw/zinc/60/93/00/839609300.db2.gz FCGJRNCXBVVNMB-AVGNSLFASA-N 2 1 354.455 -0.785 20 0 FBADMP COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234926 839608748 /nfs/dbraw/zinc/60/87/48/839608748.db2.gz PPVDFWDTWVSTOO-STQMWFEESA-N 2 1 354.455 -0.519 20 0 FBADMP COCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234926 839608738 /nfs/dbraw/zinc/60/87/38/839608738.db2.gz PPVDFWDTWVSTOO-STQMWFEESA-N 2 1 354.455 -0.519 20 0 FBADMP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)[NH+](C)C ZINC001130238173 839611873 /nfs/dbraw/zinc/61/18/73/839611873.db2.gz XCQNOHOXFYXGDV-AVGNSLFASA-N 2 1 354.455 -0.785 20 0 FBADMP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130242281 839611849 /nfs/dbraw/zinc/61/18/49/839611849.db2.gz PJGBJFNJUPLLAC-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130244305 839610810 /nfs/dbraw/zinc/61/08/10/839610810.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130244305 839610804 /nfs/dbraw/zinc/61/08/04/839610804.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130244305 839610798 /nfs/dbraw/zinc/61/07/98/839610798.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130244305 839610792 /nfs/dbraw/zinc/61/07/92/839610792.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130244305 839610790 /nfs/dbraw/zinc/61/07/90/839610790.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC[NH+](C)C)n[nH]1 ZINC001130247158 839610773 /nfs/dbraw/zinc/61/07/73/839610773.db2.gz WUBSPKDXKDAZCM-STQMWFEESA-N 2 1 354.455 -0.519 20 0 FBADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC[NH+](C)C)n1 ZINC001130247158 839610768 /nfs/dbraw/zinc/61/07/68/839610768.db2.gz WUBSPKDXKDAZCM-STQMWFEESA-N 2 1 354.455 -0.519 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130249077 839611550 /nfs/dbraw/zinc/61/15/50/839611550.db2.gz ISZNPNHZFZBQLE-AGIUHOORSA-N 2 1 354.430 -0.196 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130249077 839611544 /nfs/dbraw/zinc/61/15/44/839611544.db2.gz ISZNPNHZFZBQLE-AGIUHOORSA-N 2 1 354.430 -0.196 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130249077 839611533 /nfs/dbraw/zinc/61/15/33/839611533.db2.gz ISZNPNHZFZBQLE-AGIUHOORSA-N 2 1 354.430 -0.196 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130249078 839611770 /nfs/dbraw/zinc/61/17/70/839611770.db2.gz ISZNPNHZFZBQLE-AVGNSLFASA-N 2 1 354.430 -0.196 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130249078 839611767 /nfs/dbraw/zinc/61/17/67/839611767.db2.gz ISZNPNHZFZBQLE-AVGNSLFASA-N 2 1 354.430 -0.196 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130249078 839611761 /nfs/dbraw/zinc/61/17/61/839611761.db2.gz ISZNPNHZFZBQLE-AVGNSLFASA-N 2 1 354.430 -0.196 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130249277 839611139 /nfs/dbraw/zinc/61/11/39/839611139.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130249277 839611132 /nfs/dbraw/zinc/61/11/32/839611132.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130249277 839611128 /nfs/dbraw/zinc/61/11/28/839611128.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 2 1 354.455 -0.783 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130251289 839613103 /nfs/dbraw/zinc/61/31/03/839613103.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 2 1 354.455 -0.785 20 0 FBADMP CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130251289 839613099 /nfs/dbraw/zinc/61/30/99/839613099.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 2 1 354.455 -0.785 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251289 839613094 /nfs/dbraw/zinc/61/30/94/839613094.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 2 1 354.455 -0.785 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305257 839617453 /nfs/dbraw/zinc/61/74/53/839617453.db2.gz PTHIWYCRXVUSBW-QAPCUYQASA-N 2 1 354.495 -0.204 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305285 839617803 /nfs/dbraw/zinc/61/78/03/839617803.db2.gz RFFZPBMDODLZQK-QAPCUYQASA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307307 839617847 /nfs/dbraw/zinc/61/78/47/839617847.db2.gz OWYWDLGUCFXFIW-QAPCUYQASA-N 2 1 354.495 -0.206 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCCF)c1 ZINC001130546552 839626822 /nfs/dbraw/zinc/62/68/22/839626822.db2.gz HKNZTJKVHHCUSY-IMJJTQAJSA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCCF)c1 ZINC001130546552 839626814 /nfs/dbraw/zinc/62/68/14/839626814.db2.gz HKNZTJKVHHCUSY-IMJJTQAJSA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCCF)c1 ZINC001130546553 839626968 /nfs/dbraw/zinc/62/69/68/839626968.db2.gz HKNZTJKVHHCUSY-NUEKZKHPSA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCCF)c1 ZINC001130546553 839626961 /nfs/dbraw/zinc/62/69/61/839626961.db2.gz HKNZTJKVHHCUSY-NUEKZKHPSA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCCO)c1 ZINC001130555651 839627844 /nfs/dbraw/zinc/62/78/44/839627844.db2.gz IYZYTUBPBPDHKT-IMJJTQAJSA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCCO)c1 ZINC001130555651 839627833 /nfs/dbraw/zinc/62/78/33/839627833.db2.gz IYZYTUBPBPDHKT-IMJJTQAJSA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCCO)c1 ZINC001130555652 839628118 /nfs/dbraw/zinc/62/81/18/839628118.db2.gz IYZYTUBPBPDHKT-NUEKZKHPSA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCCO)c1 ZINC001130555652 839628115 /nfs/dbraw/zinc/62/81/15/839628115.db2.gz IYZYTUBPBPDHKT-NUEKZKHPSA-N 2 1 351.451 -0.983 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556276 839628104 /nfs/dbraw/zinc/62/81/04/839628104.db2.gz ZAJQOWMTJQLXBU-IMJJTQAJSA-N 2 1 351.451 -0.719 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556276 839628096 /nfs/dbraw/zinc/62/80/96/839628096.db2.gz ZAJQOWMTJQLXBU-IMJJTQAJSA-N 2 1 351.451 -0.719 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556277 839627622 /nfs/dbraw/zinc/62/76/22/839627622.db2.gz ZAJQOWMTJQLXBU-NUEKZKHPSA-N 2 1 351.451 -0.719 20 0 FBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556277 839627619 /nfs/dbraw/zinc/62/76/19/839627619.db2.gz ZAJQOWMTJQLXBU-NUEKZKHPSA-N 2 1 351.451 -0.719 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130622184 839633087 /nfs/dbraw/zinc/63/30/87/839633087.db2.gz VNZZPDBETUZVKY-GXTWGEPZSA-N 2 1 350.467 -0.480 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130706383 839636488 /nfs/dbraw/zinc/63/64/88/839636488.db2.gz CFSXAGQKWWCTCU-DZGCQCFKSA-N 2 1 350.467 -0.608 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130706858 839636412 /nfs/dbraw/zinc/63/64/12/839636412.db2.gz XLFUNUVFFIRBNG-KCQAQPDRSA-N 2 1 350.467 -0.480 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130706859 839636769 /nfs/dbraw/zinc/63/67/69/839636769.db2.gz XLFUNUVFFIRBNG-VNHYZAJKSA-N 2 1 350.467 -0.480 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130717188 839637827 /nfs/dbraw/zinc/63/78/27/839637827.db2.gz FKBPIEJGSLLUFT-DZGCQCFKSA-N 2 1 350.467 -0.479 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130719190 839637879 /nfs/dbraw/zinc/63/78/79/839637879.db2.gz BWRBCOLTAMXNCL-KCQAQPDRSA-N 2 1 350.467 -0.480 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130719191 839637649 /nfs/dbraw/zinc/63/76/49/839637649.db2.gz BWRBCOLTAMXNCL-VNHYZAJKSA-N 2 1 350.467 -0.480 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130719325 839637735 /nfs/dbraw/zinc/63/77/35/839637735.db2.gz JPIVZOCCLQBYHB-DZGCQCFKSA-N 2 1 350.467 -0.608 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130734214 839639006 /nfs/dbraw/zinc/63/90/06/839639006.db2.gz IQRYANVUTGUBNU-KCQAQPDRSA-N 2 1 350.467 -0.482 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130734215 839639236 /nfs/dbraw/zinc/63/92/36/839639236.db2.gz IQRYANVUTGUBNU-VNHYZAJKSA-N 2 1 350.467 -0.482 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736733 839639316 /nfs/dbraw/zinc/63/93/16/839639316.db2.gz LTMOZDFIEKHBQY-DZGCQCFKSA-N 2 1 350.467 -0.610 20 0 FBADMP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802146 839651494 /nfs/dbraw/zinc/65/14/94/839651494.db2.gz FGNYKSSSWAHUOI-QWHCGFSZSA-N 2 1 354.455 -0.171 20 0 FBADMP C[C@@H](O)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802356 839651333 /nfs/dbraw/zinc/65/13/33/839651333.db2.gz PTIRQXZRXRLRBD-FRRDWIJNSA-N 2 1 354.455 -0.437 20 0 FBADMP C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802357 839651530 /nfs/dbraw/zinc/65/15/30/839651530.db2.gz PTIRQXZRXRLRBD-RWMBFGLXSA-N 2 1 354.455 -0.437 20 0 FBADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130804733 839649893 /nfs/dbraw/zinc/64/98/93/839649893.db2.gz NHUINYJCKJQSQD-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130804812 839650003 /nfs/dbraw/zinc/65/00/03/839650003.db2.gz OYFQPSOQXGNVAF-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130813574 839653304 /nfs/dbraw/zinc/65/33/04/839653304.db2.gz RRMZQMSTZLEUKR-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130813574 839653297 /nfs/dbraw/zinc/65/32/97/839653297.db2.gz RRMZQMSTZLEUKR-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130813574 839653288 /nfs/dbraw/zinc/65/32/88/839653288.db2.gz RRMZQMSTZLEUKR-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130815969 839652314 /nfs/dbraw/zinc/65/23/14/839652314.db2.gz IGUAHAOVHYHKLZ-QWHCGFSZSA-N 2 1 354.455 -0.435 20 0 FBADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC[NH+](C)C)n[nH]2)O1 ZINC001130816329 839653132 /nfs/dbraw/zinc/65/31/32/839653132.db2.gz RKXMRAUCZBTIGW-QWHCGFSZSA-N 2 1 354.455 -0.171 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)C1 ZINC001130817290 839652562 /nfs/dbraw/zinc/65/25/62/839652562.db2.gz KITBAQCZWWLSQG-FRRDWIJNSA-N 2 1 352.439 -0.825 20 0 FBADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)C1 ZINC001130817290 839652556 /nfs/dbraw/zinc/65/25/56/839652556.db2.gz KITBAQCZWWLSQG-FRRDWIJNSA-N 2 1 352.439 -0.825 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)C1 ZINC001130817290 839652549 /nfs/dbraw/zinc/65/25/49/839652549.db2.gz KITBAQCZWWLSQG-FRRDWIJNSA-N 2 1 352.439 -0.825 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)C1 ZINC001130817291 839652414 /nfs/dbraw/zinc/65/24/14/839652414.db2.gz KITBAQCZWWLSQG-RWMBFGLXSA-N 2 1 352.439 -0.825 20 0 FBADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)C1 ZINC001130817291 839652408 /nfs/dbraw/zinc/65/24/08/839652408.db2.gz KITBAQCZWWLSQG-RWMBFGLXSA-N 2 1 352.439 -0.825 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)C1 ZINC001130817291 839652400 /nfs/dbraw/zinc/65/24/00/839652400.db2.gz KITBAQCZWWLSQG-RWMBFGLXSA-N 2 1 352.439 -0.825 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130819923 839652597 /nfs/dbraw/zinc/65/25/97/839652597.db2.gz KQZVDQOUJCUOCE-QWHCGFSZSA-N 2 1 354.455 -0.437 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001130945853 839660822 /nfs/dbraw/zinc/66/08/22/839660822.db2.gz DNWGFQDBMKLXGC-FMKPAKJESA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001130945853 839660819 /nfs/dbraw/zinc/66/08/19/839660819.db2.gz DNWGFQDBMKLXGC-FMKPAKJESA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001130945854 839660858 /nfs/dbraw/zinc/66/08/58/839660858.db2.gz DNWGFQDBMKLXGC-IIAWOOMASA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001130945854 839660857 /nfs/dbraw/zinc/66/08/57/839660857.db2.gz DNWGFQDBMKLXGC-IIAWOOMASA-N 2 1 351.451 -0.983 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCF ZINC001130946568 839661890 /nfs/dbraw/zinc/66/18/90/839661890.db2.gz VZQBBBXQRLMJKN-FMKPAKJESA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCF ZINC001130946568 839661887 /nfs/dbraw/zinc/66/18/87/839661887.db2.gz VZQBBBXQRLMJKN-FMKPAKJESA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCF ZINC001130946569 839661554 /nfs/dbraw/zinc/66/15/54/839661554.db2.gz VZQBBBXQRLMJKN-IIAWOOMASA-N 2 1 353.442 -0.006 20 0 FBADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCF ZINC001130946569 839661538 /nfs/dbraw/zinc/66/15/38/839661538.db2.gz VZQBBBXQRLMJKN-IIAWOOMASA-N 2 1 353.442 -0.006 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131020400 839665645 /nfs/dbraw/zinc/66/56/45/839665645.db2.gz UHZJSOPCRLFDKR-CHWSQXEVSA-N 2 1 350.467 -0.480 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131101013 839670449 /nfs/dbraw/zinc/67/04/49/839670449.db2.gz ISKFJFKWZBYMJU-BFHYXJOUSA-N 2 1 350.467 -0.480 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131101014 839670965 /nfs/dbraw/zinc/67/09/65/839670965.db2.gz ISKFJFKWZBYMJU-MGPQQGTHSA-N 2 1 350.467 -0.480 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001131101338 839670618 /nfs/dbraw/zinc/67/06/18/839670618.db2.gz WEHRSJHYHUJQGX-ZIAGYGMSSA-N 2 1 350.467 -0.608 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001131115211 839672126 /nfs/dbraw/zinc/67/21/26/839672126.db2.gz DKTKPMJHLRAULN-ZIAGYGMSSA-N 2 1 350.467 -0.608 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131115544 839671077 /nfs/dbraw/zinc/67/10/77/839671077.db2.gz RJPMZXXENRNRLY-ZIAGYGMSSA-N 2 1 350.467 -0.479 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131115661 839670571 /nfs/dbraw/zinc/67/05/71/839670571.db2.gz SIVONRJOIHELDS-BFHYXJOUSA-N 2 1 350.467 -0.480 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131115662 839670861 /nfs/dbraw/zinc/67/08/61/839670861.db2.gz SIVONRJOIHELDS-MGPQQGTHSA-N 2 1 350.467 -0.480 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131127937 839672062 /nfs/dbraw/zinc/67/20/62/839672062.db2.gz MWNSZGJNBCLIJX-ZIAGYGMSSA-N 2 1 350.467 -0.610 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131130167 839673519 /nfs/dbraw/zinc/67/35/19/839673519.db2.gz BUCHVRYFIXFFPO-BFHYXJOUSA-N 2 1 350.467 -0.482 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131130168 839673118 /nfs/dbraw/zinc/67/31/18/839673118.db2.gz BUCHVRYFIXFFPO-MGPQQGTHSA-N 2 1 350.467 -0.482 20 0 FBADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131312926 839681126 /nfs/dbraw/zinc/68/11/26/839681126.db2.gz BTLXUZYZTMYXMJ-KFWWJZLASA-N 2 1 354.451 -0.310 20 0 FBADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131312926 839681118 /nfs/dbraw/zinc/68/11/18/839681118.db2.gz BTLXUZYZTMYXMJ-KFWWJZLASA-N 2 1 354.451 -0.310 20 0 FBADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131312927 839681427 /nfs/dbraw/zinc/68/14/27/839681427.db2.gz BTLXUZYZTMYXMJ-ZNMIVQPWSA-N 2 1 354.451 -0.310 20 0 FBADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131312927 839681424 /nfs/dbraw/zinc/68/14/24/839681424.db2.gz BTLXUZYZTMYXMJ-ZNMIVQPWSA-N 2 1 354.451 -0.310 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001131312930 839681309 /nfs/dbraw/zinc/68/13/09/839681309.db2.gz BUPXKHJLUWYJEO-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001131312930 839681302 /nfs/dbraw/zinc/68/13/02/839681302.db2.gz BUPXKHJLUWYJEO-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001131312931 839680566 /nfs/dbraw/zinc/68/05/66/839680566.db2.gz BUPXKHJLUWYJEO-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001131312931 839680559 /nfs/dbraw/zinc/68/05/59/839680559.db2.gz BUPXKHJLUWYJEO-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001131313444 839681102 /nfs/dbraw/zinc/68/11/02/839681102.db2.gz RXSAOQJODMFTGX-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001131313444 839681096 /nfs/dbraw/zinc/68/10/96/839681096.db2.gz RXSAOQJODMFTGX-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001131313445 839680816 /nfs/dbraw/zinc/68/08/16/839680816.db2.gz RXSAOQJODMFTGX-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001131313445 839680810 /nfs/dbraw/zinc/68/08/10/839680810.db2.gz RXSAOQJODMFTGX-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001131316066 839679186 /nfs/dbraw/zinc/67/91/86/839679186.db2.gz AKGGJLQNTXZVRV-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001131316066 839679180 /nfs/dbraw/zinc/67/91/80/839679180.db2.gz AKGGJLQNTXZVRV-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001131316066 839679174 /nfs/dbraw/zinc/67/91/74/839679174.db2.gz AKGGJLQNTXZVRV-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001131316066 839679167 /nfs/dbraw/zinc/67/91/67/839679167.db2.gz AKGGJLQNTXZVRV-KFWWJZLASA-N 2 1 354.451 -0.574 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001131316067 839679604 /nfs/dbraw/zinc/67/96/04/839679604.db2.gz AKGGJLQNTXZVRV-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001131316067 839679600 /nfs/dbraw/zinc/67/96/00/839679600.db2.gz AKGGJLQNTXZVRV-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001131316067 839679594 /nfs/dbraw/zinc/67/95/94/839679594.db2.gz AKGGJLQNTXZVRV-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001131316067 839679589 /nfs/dbraw/zinc/67/95/89/839679589.db2.gz AKGGJLQNTXZVRV-ZNMIVQPWSA-N 2 1 354.451 -0.574 20 0 FBADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316648 839679751 /nfs/dbraw/zinc/67/97/51/839679751.db2.gz QHQMVYUJNCEZGR-KFWWJZLASA-N 2 1 354.451 -0.310 20 0 FBADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316648 839679748 /nfs/dbraw/zinc/67/97/48/839679748.db2.gz QHQMVYUJNCEZGR-KFWWJZLASA-N 2 1 354.451 -0.310 20 0 FBADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316649 839679529 /nfs/dbraw/zinc/67/95/29/839679529.db2.gz QHQMVYUJNCEZGR-ZNMIVQPWSA-N 2 1 354.451 -0.310 20 0 FBADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316649 839679522 /nfs/dbraw/zinc/67/95/22/839679522.db2.gz QHQMVYUJNCEZGR-ZNMIVQPWSA-N 2 1 354.451 -0.310 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131461250 839685306 /nfs/dbraw/zinc/68/53/06/839685306.db2.gz HHXBSXJPAWLKRW-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131461250 839685301 /nfs/dbraw/zinc/68/53/01/839685301.db2.gz HHXBSXJPAWLKRW-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131461252 839684798 /nfs/dbraw/zinc/68/47/98/839684798.db2.gz HHXBSXJPAWLKRW-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131461252 839684794 /nfs/dbraw/zinc/68/47/94/839684794.db2.gz HHXBSXJPAWLKRW-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461884 839684740 /nfs/dbraw/zinc/68/47/40/839684740.db2.gz VIZXXVUHQYRICJ-IKGGRYGDSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461884 839684735 /nfs/dbraw/zinc/68/47/35/839684735.db2.gz VIZXXVUHQYRICJ-IKGGRYGDSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461885 839684544 /nfs/dbraw/zinc/68/45/44/839684544.db2.gz VIZXXVUHQYRICJ-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461885 839684539 /nfs/dbraw/zinc/68/45/39/839684539.db2.gz VIZXXVUHQYRICJ-ZACQAIPSSA-N 2 1 355.479 -0.051 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131464396 839684577 /nfs/dbraw/zinc/68/45/77/839684577.db2.gz PTFWGWAAXUYRQW-INMHGKMJSA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131464397 839684708 /nfs/dbraw/zinc/68/47/08/839684708.db2.gz PTFWGWAAXUYRQW-VYDXJSESSA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604749 839694645 /nfs/dbraw/zinc/69/46/45/839694645.db2.gz FHTTWJXKWOMSKY-INMHGKMJSA-N 2 1 352.479 -0.330 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604750 839694669 /nfs/dbraw/zinc/69/46/69/839694669.db2.gz FHTTWJXKWOMSKY-UXLLHSPISA-N 2 1 352.479 -0.330 20 0 FBADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126506 839728363 /nfs/dbraw/zinc/72/83/63/839728363.db2.gz VGRGVSGYEUTNLY-CVEARBPZSA-N 2 1 368.503 -0.413 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[N@H+]2CC[C@@H](F)C2)cn1 ZINC001136833653 839789358 /nfs/dbraw/zinc/78/93/58/839789358.db2.gz YREGGXCFBFPORR-CYBMUJFWSA-N 2 1 354.430 -0.067 20 0 FBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[N@H+]2CC[C@H](F)C2)cn1 ZINC001136833654 839788888 /nfs/dbraw/zinc/78/88/88/839788888.db2.gz YREGGXCFBFPORR-ZDUSSCGKSA-N 2 1 354.430 -0.067 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001144579562 839877577 /nfs/dbraw/zinc/87/75/77/839877577.db2.gz PNLYKCHDFCXQDT-HZPDHXFCSA-N 2 1 354.495 -0.156 20 0 FBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146266001 839913448 /nfs/dbraw/zinc/91/34/48/839913448.db2.gz XQUAIKWOXRXDNH-NEPJUHHUSA-N 2 1 373.479 -0.816 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCNS(C)(=O)=O)C3)CC[NH+]1C ZINC001147582718 839932972 /nfs/dbraw/zinc/93/29/72/839932972.db2.gz DBYHYINPAGHGJC-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CCNS(C)(=O)=O)C3)CC[NH+]1C ZINC001147582718 839932962 /nfs/dbraw/zinc/93/29/62/839932962.db2.gz DBYHYINPAGHGJC-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCNS(C)(=O)=O)C3)CC[N@H+]1C ZINC001147582718 839932956 /nfs/dbraw/zinc/93/29/56/839932956.db2.gz DBYHYINPAGHGJC-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCNS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001147582718 839932947 /nfs/dbraw/zinc/93/29/47/839932947.db2.gz DBYHYINPAGHGJC-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582729 839932609 /nfs/dbraw/zinc/93/26/09/839932609.db2.gz DKMKKVBFNSARPB-FRRDWIJNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582729 839932602 /nfs/dbraw/zinc/93/26/02/839932602.db2.gz DKMKKVBFNSARPB-FRRDWIJNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582729 839932598 /nfs/dbraw/zinc/93/25/98/839932598.db2.gz DKMKKVBFNSARPB-FRRDWIJNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582730 839932820 /nfs/dbraw/zinc/93/28/20/839932820.db2.gz DKMKKVBFNSARPB-JHJVBQTASA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582730 839932811 /nfs/dbraw/zinc/93/28/11/839932811.db2.gz DKMKKVBFNSARPB-JHJVBQTASA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582730 839932802 /nfs/dbraw/zinc/93/28/02/839932802.db2.gz DKMKKVBFNSARPB-JHJVBQTASA-N 2 1 351.451 -0.556 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582958 839932914 /nfs/dbraw/zinc/93/29/14/839932914.db2.gz KCJITWVUGZGLBO-CHWSQXEVSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582958 839932907 /nfs/dbraw/zinc/93/29/07/839932907.db2.gz KCJITWVUGZGLBO-CHWSQXEVSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582958 839932899 /nfs/dbraw/zinc/93/28/99/839932899.db2.gz KCJITWVUGZGLBO-CHWSQXEVSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582958 839932886 /nfs/dbraw/zinc/93/28/86/839932886.db2.gz KCJITWVUGZGLBO-CHWSQXEVSA-N 2 1 351.451 -0.684 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)CC[NH+]1C ZINC001147583173 839932434 /nfs/dbraw/zinc/93/24/34/839932434.db2.gz MIPMCIPNBMXGAE-QWHCGFSZSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)CC[NH+]1C ZINC001147583173 839932431 /nfs/dbraw/zinc/93/24/31/839932431.db2.gz MIPMCIPNBMXGAE-QWHCGFSZSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)CC[N@H+]1C ZINC001147583173 839932426 /nfs/dbraw/zinc/93/24/26/839932426.db2.gz MIPMCIPNBMXGAE-QWHCGFSZSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)CC[N@@H+]1C ZINC001147583173 839932420 /nfs/dbraw/zinc/93/24/20/839932420.db2.gz MIPMCIPNBMXGAE-QWHCGFSZSA-N 2 1 351.451 -0.554 20 0 FBADMP COCCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772733 839938933 /nfs/dbraw/zinc/93/89/33/839938933.db2.gz BEXKDWIICAFGGW-HZPDHXFCSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772733 839938929 /nfs/dbraw/zinc/93/89/29/839938929.db2.gz BEXKDWIICAFGGW-HZPDHXFCSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772733 839938925 /nfs/dbraw/zinc/93/89/25/839938925.db2.gz BEXKDWIICAFGGW-HZPDHXFCSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772733 839938919 /nfs/dbraw/zinc/93/89/19/839938919.db2.gz BEXKDWIICAFGGW-HZPDHXFCSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)CCCO2)CC[NH+]1C ZINC001149733290 843734708 /nfs/dbraw/zinc/73/47/08/843734708.db2.gz AKOKZNNLVGLJLY-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)CC[NH+]1C ZINC001149733290 843734698 /nfs/dbraw/zinc/73/46/98/843734698.db2.gz AKOKZNNLVGLJLY-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)CC[N@H+]1C ZINC001149733290 843734692 /nfs/dbraw/zinc/73/46/92/843734692.db2.gz AKOKZNNLVGLJLY-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCOCCO)CCCO2)CC[NH+]1C ZINC001149733294 843734535 /nfs/dbraw/zinc/73/45/35/843734535.db2.gz AKOKZNNLVGLJLY-YESZJQIVSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)CC[NH+]1C ZINC001149733294 843734525 /nfs/dbraw/zinc/73/45/25/843734525.db2.gz AKOKZNNLVGLJLY-YESZJQIVSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)CC[N@H+]1C ZINC001149733294 843734515 /nfs/dbraw/zinc/73/45/15/843734515.db2.gz AKOKZNNLVGLJLY-YESZJQIVSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860527 843757884 /nfs/dbraw/zinc/75/78/84/843757884.db2.gz FVPHTVOTQSGFSE-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860527 843757875 /nfs/dbraw/zinc/75/78/75/843757875.db2.gz FVPHTVOTQSGFSE-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860527 843757870 /nfs/dbraw/zinc/75/78/70/843757870.db2.gz FVPHTVOTQSGFSE-BZUAXINKSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860528 843757588 /nfs/dbraw/zinc/75/75/88/843757588.db2.gz FVPHTVOTQSGFSE-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860528 843757584 /nfs/dbraw/zinc/75/75/84/843757584.db2.gz FVPHTVOTQSGFSE-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860528 843757575 /nfs/dbraw/zinc/75/75/75/843757575.db2.gz FVPHTVOTQSGFSE-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP O=C(N[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001152586333 843765294 /nfs/dbraw/zinc/76/52/94/843765294.db2.gz MEEBWJCAZSLINU-QAPCUYQASA-N 2 1 350.463 -0.478 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451801 843774858 /nfs/dbraw/zinc/77/48/58/843774858.db2.gz JDEGNGXVDAIMRT-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451801 843774855 /nfs/dbraw/zinc/77/48/55/843774855.db2.gz JDEGNGXVDAIMRT-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451801 843774852 /nfs/dbraw/zinc/77/48/52/843774852.db2.gz JDEGNGXVDAIMRT-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451801 843774849 /nfs/dbraw/zinc/77/48/49/843774849.db2.gz JDEGNGXVDAIMRT-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[NH+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153492083 843774294 /nfs/dbraw/zinc/77/42/94/843774294.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153492083 843774282 /nfs/dbraw/zinc/77/42/82/843774282.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153492083 843774279 /nfs/dbraw/zinc/77/42/79/843774279.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC(=O)NC)CC[NH+]1C ZINC001153501700 843774378 /nfs/dbraw/zinc/77/43/78/843774378.db2.gz ROOILDKZCQKZTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC(=O)NC)CC[NH+]1C ZINC001153501700 843774375 /nfs/dbraw/zinc/77/43/75/843774375.db2.gz ROOILDKZCQKZTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001153501700 843774366 /nfs/dbraw/zinc/77/43/66/843774366.db2.gz ROOILDKZCQKZTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001153501700 843774355 /nfs/dbraw/zinc/77/43/55/843774355.db2.gz ROOILDKZCQKZTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[NH+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998065 843783651 /nfs/dbraw/zinc/78/36/51/843783651.db2.gz GWBSMOCZCOMYQJ-RBSFLKMASA-N 2 1 355.483 -0.443 20 0 FBADMP CC[NH+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998065 843783646 /nfs/dbraw/zinc/78/36/46/843783646.db2.gz GWBSMOCZCOMYQJ-RBSFLKMASA-N 2 1 355.483 -0.443 20 0 FBADMP CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998065 843783641 /nfs/dbraw/zinc/78/36/41/843783641.db2.gz GWBSMOCZCOMYQJ-RBSFLKMASA-N 2 1 355.483 -0.443 20 0 FBADMP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998065 843783634 /nfs/dbraw/zinc/78/36/34/843783634.db2.gz GWBSMOCZCOMYQJ-RBSFLKMASA-N 2 1 355.483 -0.443 20 0 FBADMP CCS(=O)(=O)N1CCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001154808322 843796950 /nfs/dbraw/zinc/79/69/50/843796950.db2.gz RRZRBWAVUDQXAW-UHFFFAOYSA-N 2 1 354.480 -0.124 20 0 FBADMP C[NH+](C)C[C@@H]1COCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001154962995 843799119 /nfs/dbraw/zinc/79/91/19/843799119.db2.gz XGFXFLUWEAUPJA-GFCCVEGCSA-N 2 1 369.491 -0.665 20 0 FBADMP C[NH+](C)C[C@H]1COCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001154963000 843798917 /nfs/dbraw/zinc/79/89/17/843798917.db2.gz XGFXFLUWEAUPJA-LBPRGKRZSA-N 2 1 369.491 -0.665 20 0 FBADMP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001155321434 843806415 /nfs/dbraw/zinc/80/64/15/843806415.db2.gz NPUNVPKKPAYLIL-IJLUTSLNSA-N 2 1 350.423 -0.455 20 0 FBADMP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001155321434 843806411 /nfs/dbraw/zinc/80/64/11/843806411.db2.gz NPUNVPKKPAYLIL-IJLUTSLNSA-N 2 1 350.423 -0.455 20 0 FBADMP CC[N@@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001155321749 843805861 /nfs/dbraw/zinc/80/58/61/843805861.db2.gz YJXKNXURAPOHAP-MGPQQGTHSA-N 2 1 371.507 -0.101 20 0 FBADMP CC[N@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001155321749 843805855 /nfs/dbraw/zinc/80/58/55/843805855.db2.gz YJXKNXURAPOHAP-MGPQQGTHSA-N 2 1 371.507 -0.101 20 0 FBADMP COC(=O)[C@@H](Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)C(C)(C)[NH3+] ZINC001155370464 843807522 /nfs/dbraw/zinc/80/75/22/843807522.db2.gz JNEUZFJRAOMLFH-GFCCVEGCSA-N 2 1 350.423 -0.393 20 0 FBADMP C[C@H](C[NH+](C)C)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155915286 843815475 /nfs/dbraw/zinc/81/54/75/843815475.db2.gz RUJMLBZKXOPVLS-CYBMUJFWSA-N 2 1 351.455 -0.671 20 0 FBADMP C[C@@H](C[NH+](C)C)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155915287 843815685 /nfs/dbraw/zinc/81/56/85/843815685.db2.gz RUJMLBZKXOPVLS-ZDUSSCGKSA-N 2 1 351.455 -0.671 20 0 FBADMP Cc1ncc(C[NH3+])c(=N)n1-c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001156824842 843828862 /nfs/dbraw/zinc/82/88/62/843828862.db2.gz FQFSBONSJWEYCE-UHFFFAOYSA-N 2 1 363.447 -0.999 20 0 FBADMP COC(=O)[C@@H](CCC[NH3+])Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001157117812 843834801 /nfs/dbraw/zinc/83/48/01/843834801.db2.gz LGTWWECINALEOI-GFCCVEGCSA-N 2 1 350.423 -0.391 20 0 FBADMP CC(C)C[C@H](NC(=O)C[NH2+]CCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157310221 843838827 /nfs/dbraw/zinc/83/88/27/843838827.db2.gz ROCKPMYRSYMIIP-ZDUSSCGKSA-N 2 1 358.483 -0.086 20 0 FBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001157323750 843840131 /nfs/dbraw/zinc/84/01/31/843840131.db2.gz YHDKNIJPNOLLCH-KBPBESRZSA-N 2 1 356.467 -0.061 20 0 FBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001157324344 843839941 /nfs/dbraw/zinc/83/99/41/843839941.db2.gz WRSKZEGFUMWOCA-HOCLYGCPSA-N 2 1 353.511 -0.190 20 0 FBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001157324345 843839393 /nfs/dbraw/zinc/83/93/93/843839393.db2.gz WRSKZEGFUMWOCA-ZBFHGGJFSA-N 2 1 353.511 -0.190 20 0 FBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)n[nH]1 ZINC001157439891 843841745 /nfs/dbraw/zinc/84/17/45/843841745.db2.gz PLEOJEOPBJULDP-JTQLQIEISA-N 2 1 354.436 -0.641 20 0 FBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)n[nH]1 ZINC001157439892 843841922 /nfs/dbraw/zinc/84/19/22/843841922.db2.gz PLEOJEOPBJULDP-SNVBAGLBSA-N 2 1 354.436 -0.641 20 0 FBADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157448653 843842345 /nfs/dbraw/zinc/84/23/45/843842345.db2.gz DWENUMIVZQJBEM-AWEZNQCLSA-N 2 1 355.483 -0.990 20 0 FBADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157448654 843842022 /nfs/dbraw/zinc/84/20/22/843842022.db2.gz DWENUMIVZQJBEM-CQSZACIVSA-N 2 1 355.483 -0.990 20 0 FBADMP C[N@H+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001157495378 843843308 /nfs/dbraw/zinc/84/33/08/843843308.db2.gz KFTKAIDSGKDQMM-HNNXBMFYSA-N 2 1 354.476 -0.278 20 0 FBADMP C[N@@H+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001157495378 843843297 /nfs/dbraw/zinc/84/32/97/843843297.db2.gz KFTKAIDSGKDQMM-HNNXBMFYSA-N 2 1 354.476 -0.278 20 0 FBADMP C[N@H+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001157495383 843842792 /nfs/dbraw/zinc/84/27/92/843842792.db2.gz KFTKAIDSGKDQMM-OAHLLOKOSA-N 2 1 354.476 -0.278 20 0 FBADMP C[N@@H+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001157495383 843842779 /nfs/dbraw/zinc/84/27/79/843842779.db2.gz KFTKAIDSGKDQMM-OAHLLOKOSA-N 2 1 354.476 -0.278 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001157978391 843851442 /nfs/dbraw/zinc/85/14/42/843851442.db2.gz URFGSZJFUFCMAY-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001157978391 843851435 /nfs/dbraw/zinc/85/14/35/843851435.db2.gz URFGSZJFUFCMAY-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001157978391 843851425 /nfs/dbraw/zinc/85/14/25/843851425.db2.gz URFGSZJFUFCMAY-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001157978391 843851415 /nfs/dbraw/zinc/85/14/15/843851415.db2.gz URFGSZJFUFCMAY-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001158000749 843851671 /nfs/dbraw/zinc/85/16/71/843851671.db2.gz ZKQOFAWFHNFMSR-GDBMZVCRSA-N 2 1 352.479 -0.186 20 0 FBADMP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001158000750 843851991 /nfs/dbraw/zinc/85/19/91/843851991.db2.gz ZKQOFAWFHNFMSR-GOEBONIOSA-N 2 1 352.479 -0.186 20 0 FBADMP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001158000751 843852214 /nfs/dbraw/zinc/85/22/14/843852214.db2.gz ZKQOFAWFHNFMSR-HOCLYGCPSA-N 2 1 352.479 -0.186 20 0 FBADMP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001158000752 843851901 /nfs/dbraw/zinc/85/19/01/843851901.db2.gz ZKQOFAWFHNFMSR-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CN1C[C@@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071078 843853621 /nfs/dbraw/zinc/85/36/21/843853621.db2.gz UCNCFTBRFPBFEU-HNNXBMFYSA-N 2 1 352.479 -0.580 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071078 843853611 /nfs/dbraw/zinc/85/36/11/843853611.db2.gz UCNCFTBRFPBFEU-HNNXBMFYSA-N 2 1 352.479 -0.580 20 0 FBADMP CN1C[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071079 843853572 /nfs/dbraw/zinc/85/35/72/843853572.db2.gz UCNCFTBRFPBFEU-OAHLLOKOSA-N 2 1 352.479 -0.580 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071079 843853563 /nfs/dbraw/zinc/85/35/63/843853563.db2.gz UCNCFTBRFPBFEU-OAHLLOKOSA-N 2 1 352.479 -0.580 20 0 FBADMP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093526 843853942 /nfs/dbraw/zinc/85/39/42/843853942.db2.gz WSPMECYYCMVXQQ-GUYCJALGSA-N 2 1 352.435 -0.730 20 0 FBADMP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093527 843853518 /nfs/dbraw/zinc/85/35/18/843853518.db2.gz WSPMECYYCMVXQQ-SUMWQHHRSA-N 2 1 352.435 -0.730 20 0 FBADMP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102915 843853544 /nfs/dbraw/zinc/85/35/44/843853544.db2.gz XZZMFTGFFIABPY-SJCJKPOMSA-N 2 1 354.451 -0.484 20 0 FBADMP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102916 843854019 /nfs/dbraw/zinc/85/40/19/843854019.db2.gz XZZMFTGFFIABPY-YVEFUNNKSA-N 2 1 354.451 -0.484 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1C ZINC001158372751 843858665 /nfs/dbraw/zinc/85/86/65/843858665.db2.gz UKIDUBRQPBSCGC-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1C ZINC001158372752 843858705 /nfs/dbraw/zinc/85/87/05/843858705.db2.gz UKIDUBRQPBSCGC-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158378951 843858991 /nfs/dbraw/zinc/85/89/91/843858991.db2.gz BICZBIIOESXOIL-BIMULSAOSA-N 3 1 352.357 -0.794 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158378953 843858581 /nfs/dbraw/zinc/85/85/81/843858581.db2.gz BICZBIIOESXOIL-TVYUQYBPSA-N 3 1 352.357 -0.794 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158378954 843859026 /nfs/dbraw/zinc/85/90/26/843859026.db2.gz BICZBIIOESXOIL-XDTLVQLUSA-N 3 1 352.357 -0.794 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158378956 843859706 /nfs/dbraw/zinc/85/97/06/843859706.db2.gz BICZBIIOESXOIL-ZWKOPEQDSA-N 3 1 352.357 -0.794 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001158380086 843859925 /nfs/dbraw/zinc/85/99/25/843859925.db2.gz LMWCGIJNXPJTSP-BFYDXBDKSA-N 2 1 357.495 -0.021 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001158380087 843859747 /nfs/dbraw/zinc/85/97/47/843859747.db2.gz LMWCGIJNXPJTSP-HLLBOEOZSA-N 2 1 357.495 -0.021 20 0 FBADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158380303 843859401 /nfs/dbraw/zinc/85/94/01/843859401.db2.gz PFPNAZQGQWUNAU-VXGBXAGGSA-N 2 1 352.439 -0.706 20 0 FBADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158380303 843859393 /nfs/dbraw/zinc/85/93/93/843859393.db2.gz PFPNAZQGQWUNAU-VXGBXAGGSA-N 2 1 352.439 -0.706 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380368 843859244 /nfs/dbraw/zinc/85/92/44/843859244.db2.gz RETASOGAXVXNGJ-ZIAGYGMSSA-N 2 1 355.483 -0.096 20 0 FBADMP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380633 843859590 /nfs/dbraw/zinc/85/95/90/843859590.db2.gz SEYDMYCHEWRHHO-HUUCEWRRSA-N 2 1 363.524 -0.126 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])COC1)C2 ZINC001158381086 843859943 /nfs/dbraw/zinc/85/99/43/843859943.db2.gz JMLNEKBAUITVJE-AAEUAGOBSA-N 2 1 351.325 -0.742 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])COC1)C2 ZINC001158381088 843859913 /nfs/dbraw/zinc/85/99/13/843859913.db2.gz JMLNEKBAUITVJE-DGCLKSJQSA-N 2 1 351.325 -0.742 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])COC1)C2 ZINC001158381090 843859868 /nfs/dbraw/zinc/85/98/68/843859868.db2.gz JMLNEKBAUITVJE-WCQYABFASA-N 2 1 351.325 -0.742 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])COC1)C2 ZINC001158381092 843859827 /nfs/dbraw/zinc/85/98/27/843859827.db2.gz JMLNEKBAUITVJE-YPMHNXCESA-N 2 1 351.325 -0.742 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNCCC[NH3+])C2 ZINC001158381415 843859198 /nfs/dbraw/zinc/85/91/98/843859198.db2.gz JWTZUUPJKBVMDR-KBPBESRZSA-N 2 1 366.384 -0.532 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNCCC[NH3+])C2 ZINC001158381416 843859962 /nfs/dbraw/zinc/85/99/62/843859962.db2.gz JWTZUUPJKBVMDR-KGLIPLIRSA-N 2 1 366.384 -0.532 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNCCC[NH3+])C2 ZINC001158381418 843859630 /nfs/dbraw/zinc/85/96/30/843859630.db2.gz JWTZUUPJKBVMDR-UONOGXRCSA-N 2 1 366.384 -0.532 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNCCC[NH3+])C2 ZINC001158381419 843859843 /nfs/dbraw/zinc/85/98/43/843859843.db2.gz JWTZUUPJKBVMDR-ZIAGYGMSSA-N 2 1 366.384 -0.532 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001158381645 843859312 /nfs/dbraw/zinc/85/93/12/843859312.db2.gz HWWGUMCTCJHISG-BIMULSAOSA-N 2 1 351.325 -0.524 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001158381648 843859230 /nfs/dbraw/zinc/85/92/30/843859230.db2.gz HWWGUMCTCJHISG-TVYUQYBPSA-N 2 1 351.325 -0.524 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001158381652 843859894 /nfs/dbraw/zinc/85/98/94/843859894.db2.gz HWWGUMCTCJHISG-XDTLVQLUSA-N 2 1 351.325 -0.524 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001158381655 843859530 /nfs/dbraw/zinc/85/95/30/843859530.db2.gz HWWGUMCTCJHISG-ZWKOPEQDSA-N 2 1 351.325 -0.524 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001158382692 843859487 /nfs/dbraw/zinc/85/94/87/843859487.db2.gz MVHJRJKMJNYGMY-OAACRXHESA-N 2 1 364.368 -0.781 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001158382695 843859808 /nfs/dbraw/zinc/85/98/08/843859808.db2.gz MVHJRJKMJNYGMY-QOBDMFJFSA-N 2 1 364.368 -0.781 20 0 FBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001158382697 843860198 /nfs/dbraw/zinc/86/01/98/843860198.db2.gz MVHJRJKMJNYGMY-RDBQEKCUSA-N 2 1 364.368 -0.781 20 0 FBADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001158382699 843860762 /nfs/dbraw/zinc/86/07/62/843860762.db2.gz MVHJRJKMJNYGMY-XXSPCDMZSA-N 2 1 364.368 -0.781 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC001158389343 843861079 /nfs/dbraw/zinc/86/10/79/843861079.db2.gz BJWGVZPULMKRKS-TZMCWYRMSA-N 2 1 351.451 -0.980 20 0 FBADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389663 843861599 /nfs/dbraw/zinc/86/15/99/843861599.db2.gz IIHRYUIXYRRAST-BFHYXJOUSA-N 2 1 355.483 -0.985 20 0 FBADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389664 843861351 /nfs/dbraw/zinc/86/13/51/843861351.db2.gz IIHRYUIXYRRAST-MGPQQGTHSA-N 2 1 355.483 -0.985 20 0 FBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001158389835 843861655 /nfs/dbraw/zinc/86/16/55/843861655.db2.gz JJAARQTUGCWCQK-OUCADQQQSA-N 2 1 353.467 -0.201 20 0 FBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001158389836 843861557 /nfs/dbraw/zinc/86/15/57/843861557.db2.gz JJAARQTUGCWCQK-YRGRVCCFSA-N 2 1 353.467 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001158389922 843861296 /nfs/dbraw/zinc/86/12/96/843861296.db2.gz NROQULFBMRLJHF-CHWSQXEVSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC001158403365 843861147 /nfs/dbraw/zinc/86/11/47/843861147.db2.gz GUJXANAODZVTTA-HRCADAONSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001158404599 843861514 /nfs/dbraw/zinc/86/15/14/843861514.db2.gz XFBDBXMYBFVEGD-LSDHHAIUSA-N 2 1 360.524 -0.152 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001158404849 843861962 /nfs/dbraw/zinc/86/19/62/843861962.db2.gz ZZXVQSXQKBUTLY-UONOGXRCSA-N 2 1 353.467 -0.199 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@H+]1C ZINC001158411376 843862228 /nfs/dbraw/zinc/86/22/28/843862228.db2.gz DSKMJRULMQKWCA-HRCADAONSA-N 2 1 354.495 -0.035 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001158411378 843862092 /nfs/dbraw/zinc/86/20/92/843862092.db2.gz DSKMJRULMQKWCA-OWCLPIDISA-N 2 1 354.495 -0.035 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001158412114 843861944 /nfs/dbraw/zinc/86/19/44/843861944.db2.gz MYMKEARUTUSLPG-UONOGXRCSA-N 2 1 353.467 -0.246 20 0 FBADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C1([NH3+])COC1)C2 ZINC001158468407 843863938 /nfs/dbraw/zinc/86/39/38/843863938.db2.gz PEJOXHTUEYRRQF-SUMWQHHRSA-N 2 1 351.447 -0.114 20 0 FBADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC2)CC1 ZINC001158514169 843865828 /nfs/dbraw/zinc/86/58/28/843865828.db2.gz UKYODVPOHMCNAX-HOCLYGCPSA-N 2 1 352.479 -0.058 20 0 FBADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC2)CC1 ZINC001158514170 843865615 /nfs/dbraw/zinc/86/56/15/843865615.db2.gz UKYODVPOHMCNAX-ZBFHGGJFSA-N 2 1 352.479 -0.058 20 0 FBADMP CN1C[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567862 843866272 /nfs/dbraw/zinc/86/62/72/843866272.db2.gz LGILUCDXSQRELD-QLFBSQMISA-N 2 1 354.470 -0.025 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567862 843866262 /nfs/dbraw/zinc/86/62/62/843866262.db2.gz LGILUCDXSQRELD-QLFBSQMISA-N 3 1 354.470 -0.025 20 0 FBADMP CN1C[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567863 843866739 /nfs/dbraw/zinc/86/67/39/843866739.db2.gz LGILUCDXSQRELD-RBSFLKMASA-N 2 1 354.470 -0.025 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567863 843866734 /nfs/dbraw/zinc/86/67/34/843866734.db2.gz LGILUCDXSQRELD-RBSFLKMASA-N 3 1 354.470 -0.025 20 0 FBADMP CN1C[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567864 843866759 /nfs/dbraw/zinc/86/67/59/843866759.db2.gz LGILUCDXSQRELD-RRFJBIMHSA-N 2 1 354.470 -0.025 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567864 843866754 /nfs/dbraw/zinc/86/67/54/843866754.db2.gz LGILUCDXSQRELD-RRFJBIMHSA-N 3 1 354.470 -0.025 20 0 FBADMP CN1C[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567865 843866389 /nfs/dbraw/zinc/86/63/89/843866389.db2.gz LGILUCDXSQRELD-SOUVJXGZSA-N 2 1 354.470 -0.025 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567865 843866382 /nfs/dbraw/zinc/86/63/82/843866382.db2.gz LGILUCDXSQRELD-SOUVJXGZSA-N 3 1 354.470 -0.025 20 0 FBADMP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626036 843866627 /nfs/dbraw/zinc/86/66/27/843866627.db2.gz CIHCUWTWVOWRMO-FZKCQIBNSA-N 2 1 353.511 -0.015 20 0 FBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626036 843866623 /nfs/dbraw/zinc/86/66/23/843866623.db2.gz CIHCUWTWVOWRMO-FZKCQIBNSA-N 3 1 353.511 -0.015 20 0 FBADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001158734989 843868508 /nfs/dbraw/zinc/86/85/08/843868508.db2.gz JADXLFVPYVPSFI-NSHDSACASA-N 2 1 373.479 -0.545 20 0 FBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158735969 843868437 /nfs/dbraw/zinc/86/84/37/843868437.db2.gz XJJLTVPCTXEOTA-LBPRGKRZSA-N 2 1 373.479 -0.675 20 0 FBADMP CC(C)N(C(=O)[C@@H](N)CSCC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158759236 843869247 /nfs/dbraw/zinc/86/92/47/843869247.db2.gz MKMLIHUWAXXAKO-ZDUSSCGKSA-N 2 1 352.508 -0.075 20 0 FBADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC2 ZINC001158890133 843870537 /nfs/dbraw/zinc/87/05/37/843870537.db2.gz AKVKRRIDBGFJTB-ZDUSSCGKSA-N 2 1 354.451 -0.530 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CC[C@H](N)C(=O)OC)CC2 ZINC001158890133 843870530 /nfs/dbraw/zinc/87/05/30/843870530.db2.gz AKVKRRIDBGFJTB-ZDUSSCGKSA-N 2 1 354.451 -0.530 20 0 FBADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001158890159 843870955 /nfs/dbraw/zinc/87/09/55/843870955.db2.gz ATLULKLIUIODAR-UHFFFAOYSA-N 3 1 351.495 -0.469 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CNC1CC[NH2+]CC1)CC2 ZINC001158890159 843870946 /nfs/dbraw/zinc/87/09/46/843870946.db2.gz ATLULKLIUIODAR-UHFFFAOYSA-N 3 1 351.495 -0.469 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC2 ZINC001158890693 843870760 /nfs/dbraw/zinc/87/07/60/843870760.db2.gz KLDLNZFOLJQDMJ-HNNXBMFYSA-N 2 1 353.511 -0.094 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890725 843870501 /nfs/dbraw/zinc/87/05/01/843870501.db2.gz LJKUXRDEBPQLMC-INIZCTEOSA-N 2 1 351.495 -0.484 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890726 843871004 /nfs/dbraw/zinc/87/10/04/843871004.db2.gz LJKUXRDEBPQLMC-MRXNPFEDSA-N 2 1 351.495 -0.484 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158891341 843871075 /nfs/dbraw/zinc/87/10/75/843871075.db2.gz XIUKCBIYLJBTFW-ZDUSSCGKSA-N 2 1 357.524 -0.791 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935205 843871413 /nfs/dbraw/zinc/87/14/13/843871413.db2.gz OPRJQKSGHRKFFI-RZFFKMDDSA-N 2 1 356.442 -0.656 20 0 FBADMP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001159046698 843875786 /nfs/dbraw/zinc/87/57/86/843875786.db2.gz IHXIRKRZBBGIRM-BZUAXINKSA-N 2 1 352.479 -0.330 20 0 FBADMP CN(c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C(C)(C)C[NH3+] ZINC001159051807 843876286 /nfs/dbraw/zinc/87/62/86/843876286.db2.gz RYLUGOKIFURCTK-UHFFFAOYSA-N 2 1 351.455 -0.282 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159091242 843875801 /nfs/dbraw/zinc/87/58/01/843875801.db2.gz LUFLIRFLMCTIQL-TTZDDIAXSA-N 2 1 354.451 -0.940 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001159125052 843877835 /nfs/dbraw/zinc/87/78/35/843877835.db2.gz SMFCNYGPXYONHL-MAUKXSAKSA-N 2 1 352.479 -0.185 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001159125052 843877824 /nfs/dbraw/zinc/87/78/24/843877824.db2.gz SMFCNYGPXYONHL-MAUKXSAKSA-N 2 1 352.479 -0.185 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001159125053 843877670 /nfs/dbraw/zinc/87/76/70/843877670.db2.gz SMFCNYGPXYONHL-YJBOKZPZSA-N 2 1 352.479 -0.185 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001159125053 843877659 /nfs/dbraw/zinc/87/76/59/843877659.db2.gz SMFCNYGPXYONHL-YJBOKZPZSA-N 2 1 352.479 -0.185 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH2+]CC3)C2)C1 ZINC001159125692 843877867 /nfs/dbraw/zinc/87/78/67/843877867.db2.gz YAIWUDFCIIKPIR-GOSISDBHSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH2+]CC3)C2)C1 ZINC001159125692 843877861 /nfs/dbraw/zinc/87/78/61/843877861.db2.gz YAIWUDFCIIKPIR-GOSISDBHSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH2+]CC3)C2)C1 ZINC001159125693 843877153 /nfs/dbraw/zinc/87/71/53/843877153.db2.gz YAIWUDFCIIKPIR-SFHVURJKSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH2+]CC3)C2)C1 ZINC001159125693 843877147 /nfs/dbraw/zinc/87/71/47/843877147.db2.gz YAIWUDFCIIKPIR-SFHVURJKSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C2)C1 ZINC001159125892 843877460 /nfs/dbraw/zinc/87/74/60/843877460.db2.gz ZOGLUNBMKSOQRK-IIDMSEBBSA-N 2 1 352.479 -0.199 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C2)C1 ZINC001159125892 843877454 /nfs/dbraw/zinc/87/74/54/843877454.db2.gz ZOGLUNBMKSOQRK-IIDMSEBBSA-N 2 1 352.479 -0.199 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C2)C1 ZINC001159125894 843877532 /nfs/dbraw/zinc/87/75/32/843877532.db2.gz ZOGLUNBMKSOQRK-RKVPGOIHSA-N 2 1 352.479 -0.199 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C2)C1 ZINC001159125894 843877525 /nfs/dbraw/zinc/87/75/25/843877525.db2.gz ZOGLUNBMKSOQRK-RKVPGOIHSA-N 2 1 352.479 -0.199 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126394 843877207 /nfs/dbraw/zinc/87/72/07/843877207.db2.gz NPHQZLUPBZEXDN-MSOLQXFVSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126394 843877200 /nfs/dbraw/zinc/87/72/00/843877200.db2.gz NPHQZLUPBZEXDN-MSOLQXFVSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126395 843877074 /nfs/dbraw/zinc/87/70/74/843877074.db2.gz NPHQZLUPBZEXDN-QZTJIDSGSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126395 843877063 /nfs/dbraw/zinc/87/70/63/843877063.db2.gz NPHQZLUPBZEXDN-QZTJIDSGSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126396 843877590 /nfs/dbraw/zinc/87/75/90/843877590.db2.gz NPHQZLUPBZEXDN-ROUUACIJSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126396 843877581 /nfs/dbraw/zinc/87/75/81/843877581.db2.gz NPHQZLUPBZEXDN-ROUUACIJSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126397 843877311 /nfs/dbraw/zinc/87/73/11/843877311.db2.gz NPHQZLUPBZEXDN-ZWKOTPCHSA-N 2 1 352.479 -0.327 20 0 FBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC001159126397 843877304 /nfs/dbraw/zinc/87/73/04/843877304.db2.gz NPHQZLUPBZEXDN-ZWKOTPCHSA-N 2 1 352.479 -0.327 20 0 FBADMP CCN1C[C@H]2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001159404920 843881555 /nfs/dbraw/zinc/88/15/55/843881555.db2.gz ZDOFSXGUTQDENP-UKRRQHHQSA-N 2 1 358.508 -0.400 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159427760 843882004 /nfs/dbraw/zinc/88/20/04/843882004.db2.gz OXLUZQYEGMNMQR-BBRMVZONSA-N 2 1 368.459 -0.615 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159427761 843881806 /nfs/dbraw/zinc/88/18/06/843881806.db2.gz OXLUZQYEGMNMQR-XJKSGUPXSA-N 2 1 368.459 -0.615 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001159436511 843881745 /nfs/dbraw/zinc/88/17/45/843881745.db2.gz QGRQFPCDXQHFSV-HACGYAERSA-N 2 1 366.487 -0.442 20 0 FBADMP [NH3+]CCOCCOCCNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159445693 843882102 /nfs/dbraw/zinc/88/21/02/843882102.db2.gz SOTIOGMKFPCNPI-UHFFFAOYSA-N 2 1 352.439 -0.680 20 0 FBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C[C@H](O)C[NH3+])CCC2 ZINC001159481408 843882924 /nfs/dbraw/zinc/88/29/24/843882924.db2.gz OIQCZHHUJVZCBY-AWEZNQCLSA-N 2 1 351.451 -0.475 20 0 FBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C[C@@H](O)C[NH3+])CCC2 ZINC001159481409 843883308 /nfs/dbraw/zinc/88/33/08/843883308.db2.gz OIQCZHHUJVZCBY-CQSZACIVSA-N 2 1 351.451 -0.475 20 0 FBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCC2 ZINC001159481500 843882633 /nfs/dbraw/zinc/88/26/33/843882633.db2.gz RPBWWTKRDJDNOW-AWEZNQCLSA-N 3 1 350.467 -0.508 20 0 FBADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCC2 ZINC001159481500 843882625 /nfs/dbraw/zinc/88/26/25/843882625.db2.gz RPBWWTKRDJDNOW-AWEZNQCLSA-N 3 1 350.467 -0.508 20 0 FBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC[NH3+])CCC2 ZINC001159481500 843882620 /nfs/dbraw/zinc/88/26/20/843882620.db2.gz RPBWWTKRDJDNOW-AWEZNQCLSA-N 2 1 350.467 -0.508 20 0 FBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491275 843882656 /nfs/dbraw/zinc/88/26/56/843882656.db2.gz BOVNEZAVZUFOBN-LBPRGKRZSA-N 2 1 350.423 -0.819 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@H]2C1 ZINC001159532649 843884025 /nfs/dbraw/zinc/88/40/25/843884025.db2.gz FLOQEHSNGWODIR-LVQVYYBASA-N 2 1 352.479 -0.071 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599784 843884575 /nfs/dbraw/zinc/88/45/75/843884575.db2.gz OADPUOMRAMZBTP-BZUAXINKSA-N 2 1 350.463 -0.530 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC[C@@H]2C1 ZINC001159634787 843886016 /nfs/dbraw/zinc/88/60/16/843886016.db2.gz DKOMKRMIQMMZBA-QLFBSQMISA-N 2 1 357.451 -0.537 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC[C@@H]2C1 ZINC001159634787 843886007 /nfs/dbraw/zinc/88/60/07/843886007.db2.gz DKOMKRMIQMMZBA-QLFBSQMISA-N 2 1 357.451 -0.537 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159635047 843886462 /nfs/dbraw/zinc/88/64/62/843886462.db2.gz GGLMKZYWLDJPTQ-NVXWUHKLSA-N 3 1 354.495 -0.476 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159635047 843886453 /nfs/dbraw/zinc/88/64/53/843886453.db2.gz GGLMKZYWLDJPTQ-NVXWUHKLSA-N 3 1 354.495 -0.476 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159635047 843886444 /nfs/dbraw/zinc/88/64/44/843886444.db2.gz GGLMKZYWLDJPTQ-NVXWUHKLSA-N 2 1 354.495 -0.476 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@@H]2C1 ZINC001159635075 843886487 /nfs/dbraw/zinc/88/64/87/843886487.db2.gz GPSXRHGBSUFCLA-QLFBSQMISA-N 3 1 360.524 -0.799 20 0 FBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001159635126 843885459 /nfs/dbraw/zinc/88/54/59/843885459.db2.gz HWNHKGVBTKUJED-IXDOHACOSA-N 3 1 356.511 -0.101 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CCCCNC(N)=[NH2+])CC[C@@H]2C1 ZINC001159635235 843885601 /nfs/dbraw/zinc/88/56/01/843885601.db2.gz ISMQGUPHXGNLEP-HUUCEWRRSA-N 2 1 355.483 -0.165 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635347 843886172 /nfs/dbraw/zinc/88/61/72/843886172.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635347 843886163 /nfs/dbraw/zinc/88/61/63/843886163.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)CC[C@@H]2C1 ZINC001159635347 843886156 /nfs/dbraw/zinc/88/61/56/843886156.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635348 843886352 /nfs/dbraw/zinc/88/63/52/843886352.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635348 843886347 /nfs/dbraw/zinc/88/63/47/843886347.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC[C@@H]2C1 ZINC001159635348 843886338 /nfs/dbraw/zinc/88/63/38/843886338.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 2 1 351.451 -0.525 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC[C@@H]2C1 ZINC001159635527 843886113 /nfs/dbraw/zinc/88/61/13/843886113.db2.gz OPAGJOXNHWBORU-CFJKZRSOSA-N 2 1 361.508 -0.722 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC[C@@H]2C1 ZINC001159635528 843885792 /nfs/dbraw/zinc/88/57/92/843885792.db2.gz OPAGJOXNHWBORU-XILIYIEPSA-N 2 1 361.508 -0.722 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)CC[C@@H]2C1 ZINC001159636073 843886286 /nfs/dbraw/zinc/88/62/86/843886286.db2.gz REUOCKCUNKSVPA-HBPKQKSZSA-N 2 1 352.479 -0.596 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)CC[C@@H]2C1 ZINC001159636073 843886277 /nfs/dbraw/zinc/88/62/77/843886277.db2.gz REUOCKCUNKSVPA-HBPKQKSZSA-N 2 1 352.479 -0.596 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)CC[C@@H]2C1 ZINC001159636073 843886268 /nfs/dbraw/zinc/88/62/68/843886268.db2.gz REUOCKCUNKSVPA-HBPKQKSZSA-N 2 1 352.479 -0.596 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159637035 843885525 /nfs/dbraw/zinc/88/55/25/843885525.db2.gz VYMKKJOCBVAYAH-BRWVUGGUSA-N 3 1 354.495 -0.491 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159637037 843885416 /nfs/dbraw/zinc/88/54/16/843885416.db2.gz VYMKKJOCBVAYAH-ZACQAIPSSA-N 3 1 354.495 -0.491 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC[C@@H]2C1 ZINC001159637039 843886052 /nfs/dbraw/zinc/88/60/52/843886052.db2.gz VYZUDYPPUGMEOG-DRRXZNNHSA-N 2 1 352.479 -0.868 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)CC[C@@H]2C1 ZINC001159637558 843885627 /nfs/dbraw/zinc/88/56/27/843885627.db2.gz ZMGATUDKEIPCOZ-HPFXQQBRSA-N 2 1 352.479 -0.866 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)CC[C@@H]2C1 ZINC001159637559 843885856 /nfs/dbraw/zinc/88/58/56/843885856.db2.gz ZMGATUDKEIPCOZ-KONPQCLYSA-N 2 1 352.479 -0.866 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)CC[C@@H]2C1 ZINC001159637560 843885949 /nfs/dbraw/zinc/88/59/49/843885949.db2.gz ZMGATUDKEIPCOZ-KYHPRHEASA-N 2 1 352.479 -0.866 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)CC[C@@H]2C1 ZINC001159637561 843885386 /nfs/dbraw/zinc/88/53/86/843885386.db2.gz ZMGATUDKEIPCOZ-YFHUEUNASA-N 2 1 352.479 -0.866 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159678242 843885486 /nfs/dbraw/zinc/88/54/86/843885486.db2.gz VWUBKQJDRMIUOE-VNHYZAJKSA-N 2 1 350.419 -0.355 20 0 FBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C[C@@H](O)C[NH3+])C3)O2)CC1 ZINC001159756338 843888044 /nfs/dbraw/zinc/88/80/44/843888044.db2.gz ANDNJLUWEMOYRG-JFIYKMOQSA-N 2 1 354.495 -0.516 20 0 FBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C[C@H](O)C[NH3+])C3)O2)CC1 ZINC001159756339 843887987 /nfs/dbraw/zinc/88/79/87/843887987.db2.gz ANDNJLUWEMOYRG-LZLYRXPVSA-N 2 1 354.495 -0.516 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770798 843888996 /nfs/dbraw/zinc/88/89/96/843888996.db2.gz VUGSNLLXPWXHRE-OAGGEKHMSA-N 2 1 350.463 -0.387 20 0 FBADMP CCOC(=O)CN(CC[NH3+])c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159865333 843890728 /nfs/dbraw/zinc/89/07/28/843890728.db2.gz ZUEDBGFYOKRWKO-UHFFFAOYSA-N 2 1 350.423 -0.755 20 0 FBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929529 843891848 /nfs/dbraw/zinc/89/18/48/843891848.db2.gz GKNMSGQAQZZGKH-HRCADAONSA-N 2 1 353.511 -0.287 20 0 FBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929529 843891836 /nfs/dbraw/zinc/89/18/36/843891836.db2.gz GKNMSGQAQZZGKH-HRCADAONSA-N 2 1 353.511 -0.287 20 0 FBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929672 843891735 /nfs/dbraw/zinc/89/17/35/843891735.db2.gz IJBRFVYSAPJWRL-MPTYRVRUSA-N 2 1 353.511 -0.287 20 0 FBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929672 843891730 /nfs/dbraw/zinc/89/17/30/843891730.db2.gz IJBRFVYSAPJWRL-MPTYRVRUSA-N 2 1 353.511 -0.287 20 0 FBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929754 843891801 /nfs/dbraw/zinc/89/18/01/843891801.db2.gz LRTNQRDQPKIFLN-YESZJQIVSA-N 2 1 353.511 -0.143 20 0 FBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929754 843891793 /nfs/dbraw/zinc/89/17/93/843891793.db2.gz LRTNQRDQPKIFLN-YESZJQIVSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001159930007 843892084 /nfs/dbraw/zinc/89/20/84/843892084.db2.gz OIUXQIRRAQJZDA-HRCADAONSA-N 2 1 351.495 -0.437 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001159930007 843892075 /nfs/dbraw/zinc/89/20/75/843892075.db2.gz OIUXQIRRAQJZDA-HRCADAONSA-N 2 1 351.495 -0.437 20 0 FBADMP Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)n1 ZINC001159961908 843892325 /nfs/dbraw/zinc/89/23/25/843892325.db2.gz OEGPYXRTKDHOMI-HNNXBMFYSA-N 2 1 350.467 -0.710 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159981053 843892541 /nfs/dbraw/zinc/89/25/41/843892541.db2.gz VPPSMSLDIMPEEA-KEYYUXOJSA-N 2 1 354.451 -0.939 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160015447 843893271 /nfs/dbraw/zinc/89/32/71/843893271.db2.gz BHNDSRMFQKJXRY-UKJIMTQDSA-N 2 1 353.448 -0.693 20 0 FBADMP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1=O ZINC001160155547 843896198 /nfs/dbraw/zinc/89/61/98/843896198.db2.gz IZLMJOCGZJHNON-XHSDSOJGSA-N 2 1 350.463 -0.352 20 0 FBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155835 843895812 /nfs/dbraw/zinc/89/58/12/843895812.db2.gz MDPXFQVJNAOBKE-XHSDSOJGSA-N 2 1 352.479 -0.202 20 0 FBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155864 843896647 /nfs/dbraw/zinc/89/66/47/843896647.db2.gz MZZJNTVUMOEQIZ-FAYQHZLMSA-N 2 1 352.479 -0.202 20 0 FBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157465 843896067 /nfs/dbraw/zinc/89/60/67/843896067.db2.gz WKPBEFMAPQOTBM-BBWFWOEESA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001160175380 843896005 /nfs/dbraw/zinc/89/60/05/843896005.db2.gz OSMFCUDQKLVXEZ-TZMCWYRMSA-N 2 1 351.451 -0.340 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001160175380 843895997 /nfs/dbraw/zinc/89/59/97/843895997.db2.gz OSMFCUDQKLVXEZ-TZMCWYRMSA-N 2 1 351.451 -0.340 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001160175380 843895989 /nfs/dbraw/zinc/89/59/89/843895989.db2.gz OSMFCUDQKLVXEZ-TZMCWYRMSA-N 2 1 351.451 -0.340 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001160175380 843895981 /nfs/dbraw/zinc/89/59/81/843895981.db2.gz OSMFCUDQKLVXEZ-TZMCWYRMSA-N 2 1 351.451 -0.340 20 0 FBADMP CC(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001160192044 843896170 /nfs/dbraw/zinc/89/61/70/843896170.db2.gz QJYSFVGULKMCML-GUYCJALGSA-N 2 1 353.467 -0.972 20 0 FBADMP CC(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001160192046 843895952 /nfs/dbraw/zinc/89/59/52/843895952.db2.gz QJYSFVGULKMCML-SUMWQHHRSA-N 2 1 353.467 -0.972 20 0 FBADMP CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2c2ccccc21 ZINC001160202931 843896849 /nfs/dbraw/zinc/89/68/49/843896849.db2.gz OTNAHFBAASVSKC-YUTCNCBUSA-N 2 1 352.460 -0.316 20 0 FBADMP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C[NH2+]C3CC[NH2+]CC3)[C@@H]2C1 ZINC001160295550 843897889 /nfs/dbraw/zinc/89/78/89/843897889.db2.gz NQKGKNOYMDETEH-NUEKZKHPSA-N 2 1 352.479 -0.141 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160357728 843899926 /nfs/dbraw/zinc/89/99/26/843899926.db2.gz MDFAXBDDSVWQIV-GUYCJALGSA-N 2 1 350.419 -0.211 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160357730 843899643 /nfs/dbraw/zinc/89/96/43/843899643.db2.gz MDFAXBDDSVWQIV-SUMWQHHRSA-N 2 1 350.419 -0.211 20 0 FBADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CCC2 ZINC001160370667 843900173 /nfs/dbraw/zinc/90/01/73/843900173.db2.gz AAYVTSORPQGCGB-KBPBESRZSA-N 2 1 350.467 -0.617 20 0 FBADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CCC2 ZINC001160370670 843899503 /nfs/dbraw/zinc/89/95/03/843899503.db2.gz AAYVTSORPQGCGB-KGLIPLIRSA-N 2 1 350.467 -0.617 20 0 FBADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1COCC[NH2+]1)CCC2 ZINC001160371443 843900292 /nfs/dbraw/zinc/90/02/92/843900292.db2.gz JFMQKCLMQQOXCW-HNNXBMFYSA-N 2 1 351.451 -0.318 20 0 FBADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)CNCCC[NH3+])CCC2 ZINC001160372121 843900286 /nfs/dbraw/zinc/90/02/86/843900286.db2.gz NWFCFJSDIOUZOY-UHFFFAOYSA-N 2 1 352.483 -0.368 20 0 FBADMP CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160388161 843899994 /nfs/dbraw/zinc/89/99/94/843899994.db2.gz IEAYFVSZCVOLAP-HNNXBMFYSA-N 2 1 353.511 -0.012 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160388972 843899887 /nfs/dbraw/zinc/89/98/87/843899887.db2.gz RTNYSRWLHCTJOD-ZQDZILKHSA-N 2 1 354.451 -0.530 20 0 FBADMP CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160392263 843900825 /nfs/dbraw/zinc/90/08/25/843900825.db2.gz VXIWLDHXMQSCHY-AWEZNQCLSA-N 2 1 371.551 -0.449 20 0 FBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160415559 843900974 /nfs/dbraw/zinc/90/09/74/843900974.db2.gz ZBPBAHWBSRSSQP-CAOSSQGBSA-N 2 1 351.451 -0.276 20 0 FBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160427255 843900948 /nfs/dbraw/zinc/90/09/48/843900948.db2.gz LKIWEQDJXWJYHG-KBPBESRZSA-N 2 1 354.451 -0.892 20 0 FBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160427256 843900515 /nfs/dbraw/zinc/90/05/15/843900515.db2.gz LKIWEQDJXWJYHG-KGLIPLIRSA-N 2 1 354.451 -0.892 20 0 FBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160427257 843900866 /nfs/dbraw/zinc/90/08/66/843900866.db2.gz LKIWEQDJXWJYHG-UONOGXRCSA-N 2 1 354.451 -0.892 20 0 FBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160427258 843900715 /nfs/dbraw/zinc/90/07/15/843900715.db2.gz LKIWEQDJXWJYHG-ZIAGYGMSSA-N 2 1 354.451 -0.892 20 0 FBADMP CNC(=O)[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466766 843902564 /nfs/dbraw/zinc/90/25/64/843902564.db2.gz HRXQUFOTZPKNTI-IIAWOOMASA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466766 843902560 /nfs/dbraw/zinc/90/25/60/843902560.db2.gz HRXQUFOTZPKNTI-IIAWOOMASA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466766 843902556 /nfs/dbraw/zinc/90/25/56/843902556.db2.gz HRXQUFOTZPKNTI-IIAWOOMASA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466766 843902553 /nfs/dbraw/zinc/90/25/53/843902553.db2.gz HRXQUFOTZPKNTI-IIAWOOMASA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466767 843902688 /nfs/dbraw/zinc/90/26/88/843902688.db2.gz HRXQUFOTZPKNTI-IJEWVQPXSA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466767 843902686 /nfs/dbraw/zinc/90/26/86/843902686.db2.gz HRXQUFOTZPKNTI-IJEWVQPXSA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466767 843902684 /nfs/dbraw/zinc/90/26/84/843902684.db2.gz HRXQUFOTZPKNTI-IJEWVQPXSA-N 2 1 352.479 -0.022 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466767 843902681 /nfs/dbraw/zinc/90/26/81/843902681.db2.gz HRXQUFOTZPKNTI-IJEWVQPXSA-N 2 1 352.479 -0.022 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](CCOCCO)CC2)O1 ZINC001160467806 843902826 /nfs/dbraw/zinc/90/28/26/843902826.db2.gz WZOVKNOLBBMXGR-NVXWUHKLSA-N 2 1 355.479 -0.147 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](CCOCCO)CC2)O1 ZINC001160467806 843902820 /nfs/dbraw/zinc/90/28/20/843902820.db2.gz WZOVKNOLBBMXGR-NVXWUHKLSA-N 2 1 355.479 -0.147 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCOCCO)CC2)O1 ZINC001160467806 843902814 /nfs/dbraw/zinc/90/28/14/843902814.db2.gz WZOVKNOLBBMXGR-NVXWUHKLSA-N 2 1 355.479 -0.147 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCOCCO)CC2)O1 ZINC001160467806 843902808 /nfs/dbraw/zinc/90/28/08/843902808.db2.gz WZOVKNOLBBMXGR-NVXWUHKLSA-N 2 1 355.479 -0.147 20 0 FBADMP COC[C@H](O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478963 843902459 /nfs/dbraw/zinc/90/24/59/843902459.db2.gz GNKBOEVLRLEYJA-DJIMGWMZSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@H](O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478963 843902454 /nfs/dbraw/zinc/90/24/54/843902454.db2.gz GNKBOEVLRLEYJA-DJIMGWMZSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478963 843902450 /nfs/dbraw/zinc/90/24/50/843902450.db2.gz GNKBOEVLRLEYJA-DJIMGWMZSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478963 843902444 /nfs/dbraw/zinc/90/24/44/843902444.db2.gz GNKBOEVLRLEYJA-DJIMGWMZSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@@H](O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478964 843902654 /nfs/dbraw/zinc/90/26/54/843902654.db2.gz GNKBOEVLRLEYJA-HYVNUMGLSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@@H](O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478964 843902650 /nfs/dbraw/zinc/90/26/50/843902650.db2.gz GNKBOEVLRLEYJA-HYVNUMGLSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478964 843902649 /nfs/dbraw/zinc/90/26/49/843902649.db2.gz GNKBOEVLRLEYJA-HYVNUMGLSA-N 2 1 355.479 -0.149 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478964 843902645 /nfs/dbraw/zinc/90/26/45/843902645.db2.gz GNKBOEVLRLEYJA-HYVNUMGLSA-N 2 1 355.479 -0.149 20 0 FBADMP N[C@@H](CSCC[NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589393 843904554 /nfs/dbraw/zinc/90/45/54/843904554.db2.gz QZHJIBXDNSGNFU-ZDUSSCGKSA-N 2 1 363.487 -0.138 20 0 FBADMP Cc1cc[nH+]c(N2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2)c1 ZINC001160603325 843904958 /nfs/dbraw/zinc/90/49/58/843904958.db2.gz VWDOOXVEBBUMAW-UHFFFAOYSA-N 2 1 355.464 -0.741 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1=O ZINC001160604180 843905276 /nfs/dbraw/zinc/90/52/76/843905276.db2.gz DPLUDPZTEFBECY-CABCVRRESA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1=O ZINC001160604180 843905271 /nfs/dbraw/zinc/90/52/71/843905271.db2.gz DPLUDPZTEFBECY-CABCVRRESA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC1=O ZINC001160604180 843905269 /nfs/dbraw/zinc/90/52/69/843905269.db2.gz DPLUDPZTEFBECY-CABCVRRESA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)CC[N@H+]2CC[C@H](F)C2)CC1=O ZINC001160604181 843905077 /nfs/dbraw/zinc/90/50/77/843905077.db2.gz DPLUDPZTEFBECY-GJZGRUSLSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1=O ZINC001160604181 843905075 /nfs/dbraw/zinc/90/50/75/843905075.db2.gz DPLUDPZTEFBECY-GJZGRUSLSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC1=O ZINC001160604181 843905073 /nfs/dbraw/zinc/90/50/73/843905073.db2.gz DPLUDPZTEFBECY-GJZGRUSLSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1=O ZINC001160604182 843905187 /nfs/dbraw/zinc/90/51/87/843905187.db2.gz DPLUDPZTEFBECY-HUUCEWRRSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1=O ZINC001160604182 843905180 /nfs/dbraw/zinc/90/51/80/843905180.db2.gz DPLUDPZTEFBECY-HUUCEWRRSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC1=O ZINC001160604182 843905173 /nfs/dbraw/zinc/90/51/73/843905173.db2.gz DPLUDPZTEFBECY-HUUCEWRRSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[N@H+]2CC[C@H](F)C2)CC1=O ZINC001160604183 843905353 /nfs/dbraw/zinc/90/53/53/843905353.db2.gz DPLUDPZTEFBECY-LSDHHAIUSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1=O ZINC001160604183 843905347 /nfs/dbraw/zinc/90/53/47/843905347.db2.gz DPLUDPZTEFBECY-LSDHHAIUSA-N 2 1 358.458 -0.284 20 0 FBADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC1=O ZINC001160604183 843905346 /nfs/dbraw/zinc/90/53/46/843905346.db2.gz DPLUDPZTEFBECY-LSDHHAIUSA-N 2 1 358.458 -0.284 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160627562 843904925 /nfs/dbraw/zinc/90/49/25/843904925.db2.gz DXXJZWYDVZWJEC-KRWDZBQOSA-N 3 1 356.559 -0.531 20 0 FBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160627572 843905225 /nfs/dbraw/zinc/90/52/25/843905225.db2.gz DXXJZWYDVZWJEC-QGZVFWFLSA-N 3 1 356.559 -0.531 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]1C2 ZINC001160791847 843909196 /nfs/dbraw/zinc/90/91/96/843909196.db2.gz FOSZNNWFWFKZOE-FSZRXZPDSA-N 2 1 350.463 -0.909 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160792050 843909042 /nfs/dbraw/zinc/90/90/42/843909042.db2.gz MPBRFAUJYMYFSR-PXMRGAAZSA-N 3 1 350.463 -0.815 20 0 FBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160792708 843909131 /nfs/dbraw/zinc/90/91/31/843909131.db2.gz XCOPBNDWVLUROV-UOSRWGBYSA-N 2 1 353.419 -0.876 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3COC(C)(C)C[NH2+]3)C[C@H]1C2 ZINC001160793806 843909317 /nfs/dbraw/zinc/90/93/17/843909317.db2.gz HXQWGULMEGWINA-MTVAPTMQSA-N 2 1 351.447 -0.390 20 0 FBADMP CCOC(=O)[C@]12CN(C(=O)CCN3CC[NH+](C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160806011 843909237 /nfs/dbraw/zinc/90/92/37/843909237.db2.gz JUTUKJVJAIENDN-CRAIPNDOSA-N 2 1 352.479 -0.375 20 0 FBADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160839301 843910182 /nfs/dbraw/zinc/91/01/82/843910182.db2.gz RYUKEFFRKDLAON-KBPBESRZSA-N 2 1 359.492 -0.810 20 0 FBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160839303 843910097 /nfs/dbraw/zinc/91/00/97/843910097.db2.gz RYUKEFFRKDLAON-KGLIPLIRSA-N 2 1 359.492 -0.810 20 0 FBADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160839306 843910207 /nfs/dbraw/zinc/91/02/07/843910207.db2.gz RYUKEFFRKDLAON-UONOGXRCSA-N 2 1 359.492 -0.810 20 0 FBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160839308 843910067 /nfs/dbraw/zinc/91/00/67/843910067.db2.gz RYUKEFFRKDLAON-ZIAGYGMSSA-N 2 1 359.492 -0.810 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850562 843910631 /nfs/dbraw/zinc/91/06/31/843910631.db2.gz BNFNKSFGSBPLGX-ZIAGYGMSSA-N 2 1 364.512 -0.869 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850562 843910626 /nfs/dbraw/zinc/91/06/26/843910626.db2.gz BNFNKSFGSBPLGX-ZIAGYGMSSA-N 2 1 364.512 -0.869 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C)O1 ZINC001160850646 843910737 /nfs/dbraw/zinc/91/07/37/843910737.db2.gz DORSJBCHSOATAV-ZIAGYGMSSA-N 2 1 357.499 -0.101 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C)O1 ZINC001160850646 843910732 /nfs/dbraw/zinc/91/07/32/843910732.db2.gz DORSJBCHSOATAV-ZIAGYGMSSA-N 2 1 357.499 -0.101 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)O1 ZINC001160850903 843910844 /nfs/dbraw/zinc/91/08/44/843910844.db2.gz JHGHINQPZXCOOP-VXGBXAGGSA-N 2 1 368.400 -0.130 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)O1 ZINC001160850903 843910841 /nfs/dbraw/zinc/91/08/41/843910841.db2.gz JHGHINQPZXCOOP-VXGBXAGGSA-N 2 1 368.400 -0.130 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)O1 ZINC001160850942 843910518 /nfs/dbraw/zinc/91/05/18/843910518.db2.gz KKTVGGSPUBCLBX-FRRDWIJNSA-N 2 1 371.400 -0.259 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)O1 ZINC001160850942 843910511 /nfs/dbraw/zinc/91/05/11/843910511.db2.gz KKTVGGSPUBCLBX-FRRDWIJNSA-N 2 1 371.400 -0.259 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)O1 ZINC001160850943 843910995 /nfs/dbraw/zinc/91/09/95/843910995.db2.gz KKTVGGSPUBCLBX-JHJVBQTASA-N 2 1 371.400 -0.259 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)O1 ZINC001160850943 843910990 /nfs/dbraw/zinc/91/09/90/843910990.db2.gz KKTVGGSPUBCLBX-JHJVBQTASA-N 2 1 371.400 -0.259 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)O1 ZINC001160850961 843910611 /nfs/dbraw/zinc/91/06/11/843910611.db2.gz KZLVYLDWJBXQNV-ZIAGYGMSSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)O1 ZINC001160850961 843910606 /nfs/dbraw/zinc/91/06/06/843910606.db2.gz KZLVYLDWJBXQNV-ZIAGYGMSSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)O1 ZINC001160850963 843910678 /nfs/dbraw/zinc/91/06/78/843910678.db2.gz LANQFGWOAQJLEP-UKRRQHHQSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)O1 ZINC001160850963 843910674 /nfs/dbraw/zinc/91/06/74/843910674.db2.gz LANQFGWOAQJLEP-UKRRQHHQSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)O1 ZINC001160851035 843910545 /nfs/dbraw/zinc/91/05/45/843910545.db2.gz NGUSBDWCSIVQBA-QLFBSQMISA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)O1 ZINC001160851035 843910539 /nfs/dbraw/zinc/91/05/39/843910539.db2.gz NGUSBDWCSIVQBA-QLFBSQMISA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)O1 ZINC001160851036 843910811 /nfs/dbraw/zinc/91/08/11/843910811.db2.gz NGUSBDWCSIVQBA-RBSFLKMASA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)O1 ZINC001160851036 843910809 /nfs/dbraw/zinc/91/08/09/843910809.db2.gz NGUSBDWCSIVQBA-RBSFLKMASA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)O1 ZINC001160851267 843911109 /nfs/dbraw/zinc/91/11/09/843911109.db2.gz VIDLACBXCOKBRT-FVQBIDKESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)O1 ZINC001160851267 843911104 /nfs/dbraw/zinc/91/11/04/843911104.db2.gz VIDLACBXCOKBRT-FVQBIDKESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C3CCC3)C2=O)O1 ZINC001160851268 843910718 /nfs/dbraw/zinc/91/07/18/843910718.db2.gz VIDLACBXCOKBRT-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C3CCC3)C2=O)O1 ZINC001160851268 843910714 /nfs/dbraw/zinc/91/07/14/843910714.db2.gz VIDLACBXCOKBRT-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855076 843910772 /nfs/dbraw/zinc/91/07/72/843910772.db2.gz LWRNYXKYHLKVDD-INIZCTEOSA-N 2 1 366.487 -0.352 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855076 843910768 /nfs/dbraw/zinc/91/07/68/843910768.db2.gz LWRNYXKYHLKVDD-INIZCTEOSA-N 2 1 366.487 -0.352 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855077 843911010 /nfs/dbraw/zinc/91/10/10/843911010.db2.gz LWRNYXKYHLKVDD-MRXNPFEDSA-N 2 1 366.487 -0.352 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855077 843911005 /nfs/dbraw/zinc/91/10/05/843911005.db2.gz LWRNYXKYHLKVDD-MRXNPFEDSA-N 2 1 366.487 -0.352 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001160857114 843910933 /nfs/dbraw/zinc/91/09/33/843910933.db2.gz DWKXVOHPMWFFEN-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001160857114 843910929 /nfs/dbraw/zinc/91/09/29/843910929.db2.gz DWKXVOHPMWFFEN-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)O1 ZINC001160857115 843910981 /nfs/dbraw/zinc/91/09/81/843910981.db2.gz DWKXVOHPMWFFEN-RRFJBIMHSA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)O1 ZINC001160857115 843910976 /nfs/dbraw/zinc/91/09/76/843910976.db2.gz DWKXVOHPMWFFEN-RRFJBIMHSA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)O1 ZINC001160857328 843911084 /nfs/dbraw/zinc/91/10/84/843911084.db2.gz FGKDMBNPSIJECS-ZIAGYGMSSA-N 2 1 364.512 -0.917 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)O1 ZINC001160857328 843911077 /nfs/dbraw/zinc/91/10/77/843911077.db2.gz FGKDMBNPSIJECS-ZIAGYGMSSA-N 2 1 364.512 -0.917 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)O1 ZINC001160857514 843910859 /nfs/dbraw/zinc/91/08/59/843910859.db2.gz IJCNWHIAYKSJOA-VXGBXAGGSA-N 2 1 368.400 -0.178 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)O1 ZINC001160857514 843910856 /nfs/dbraw/zinc/91/08/56/843910856.db2.gz IJCNWHIAYKSJOA-VXGBXAGGSA-N 2 1 368.400 -0.178 20 0 FBADMP COc1coc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1=O ZINC001160857757 843910584 /nfs/dbraw/zinc/91/05/84/843910584.db2.gz PGHYMAMUINNPND-IUODEOHRSA-N 2 1 353.419 -0.037 20 0 FBADMP COc1coc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1=O ZINC001160857757 843910579 /nfs/dbraw/zinc/91/05/79/843910579.db2.gz PGHYMAMUINNPND-IUODEOHRSA-N 2 1 353.419 -0.037 20 0 FBADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857809 843910963 /nfs/dbraw/zinc/91/09/63/843910963.db2.gz RHMBDFDTAJRUGB-QLFBSQMISA-N 2 1 358.483 -0.657 20 0 FBADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857809 843910959 /nfs/dbraw/zinc/91/09/59/843910959.db2.gz RHMBDFDTAJRUGB-QLFBSQMISA-N 2 1 358.483 -0.657 20 0 FBADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857810 843910568 /nfs/dbraw/zinc/91/05/68/843910568.db2.gz RHMBDFDTAJRUGB-RBSFLKMASA-N 2 1 358.483 -0.657 20 0 FBADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857810 843910563 /nfs/dbraw/zinc/91/05/63/843910563.db2.gz RHMBDFDTAJRUGB-RBSFLKMASA-N 2 1 358.483 -0.657 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)O1 ZINC001160857919 843910753 /nfs/dbraw/zinc/91/07/53/843910753.db2.gz RSQGVWFPVZKXOX-CHWSQXEVSA-N 2 1 369.491 -0.079 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)O1 ZINC001160857919 843910751 /nfs/dbraw/zinc/91/07/51/843910751.db2.gz RSQGVWFPVZKXOX-CHWSQXEVSA-N 2 1 369.491 -0.079 20 0 FBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001160858001 843911951 /nfs/dbraw/zinc/91/19/51/843911951.db2.gz VTAGQBGWOYEKPB-GRYCIOLGSA-N 2 1 368.400 -0.132 20 0 FBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001160858001 843911949 /nfs/dbraw/zinc/91/19/49/843911949.db2.gz VTAGQBGWOYEKPB-GRYCIOLGSA-N 2 1 368.400 -0.132 20 0 FBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001160858002 843911867 /nfs/dbraw/zinc/91/18/67/843911867.db2.gz VTAGQBGWOYEKPB-IJLUTSLNSA-N 2 1 368.400 -0.132 20 0 FBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001160858002 843911863 /nfs/dbraw/zinc/91/18/63/843911863.db2.gz VTAGQBGWOYEKPB-IJLUTSLNSA-N 2 1 368.400 -0.132 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160861911 843911822 /nfs/dbraw/zinc/91/18/22/843911822.db2.gz AHKSMBNNOMTIRD-CHWSQXEVSA-N 2 1 357.455 -0.963 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160861911 843911821 /nfs/dbraw/zinc/91/18/21/843911821.db2.gz AHKSMBNNOMTIRD-CHWSQXEVSA-N 2 1 357.455 -0.963 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)O1 ZINC001160861953 843911578 /nfs/dbraw/zinc/91/15/78/843911578.db2.gz CKMQSMYQTIOMFR-GHMZBOCLSA-N 2 1 356.452 -0.708 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)O1 ZINC001160861953 843911575 /nfs/dbraw/zinc/91/15/75/843911575.db2.gz CKMQSMYQTIOMFR-GHMZBOCLSA-N 2 1 356.452 -0.708 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F)O1 ZINC001160861964 843911786 /nfs/dbraw/zinc/91/17/86/843911786.db2.gz DMPYIDZMYANJHI-GHMZBOCLSA-N 2 1 354.373 -0.520 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F)O1 ZINC001160861964 843911781 /nfs/dbraw/zinc/91/17/81/843911781.db2.gz DMPYIDZMYANJHI-GHMZBOCLSA-N 2 1 354.373 -0.520 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001160861988 843911879 /nfs/dbraw/zinc/91/18/79/843911879.db2.gz GASMFHFNYNONDT-CHWSQXEVSA-N 2 1 352.439 -0.877 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001160861988 843911876 /nfs/dbraw/zinc/91/18/76/843911876.db2.gz GASMFHFNYNONDT-CHWSQXEVSA-N 2 1 352.439 -0.877 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)O1 ZINC001160861990 843911894 /nfs/dbraw/zinc/91/18/94/843911894.db2.gz GCUXFLCDDLMIQW-QLFBSQMISA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)O1 ZINC001160861990 843911891 /nfs/dbraw/zinc/91/18/91/843911891.db2.gz GCUXFLCDDLMIQW-QLFBSQMISA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)O1 ZINC001160861991 843912005 /nfs/dbraw/zinc/91/20/05/843912005.db2.gz GCUXFLCDDLMIQW-RBSFLKMASA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)O1 ZINC001160861991 843912001 /nfs/dbraw/zinc/91/20/01/843912001.db2.gz GCUXFLCDDLMIQW-RBSFLKMASA-N 2 1 361.508 -0.374 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)no1 ZINC001160861996 843911448 /nfs/dbraw/zinc/91/14/48/843911448.db2.gz GGZNWEJGVBPLMX-CHWSQXEVSA-N 2 1 353.423 -0.263 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)no1 ZINC001160861996 843911443 /nfs/dbraw/zinc/91/14/43/843911443.db2.gz GGZNWEJGVBPLMX-CHWSQXEVSA-N 2 1 353.423 -0.263 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862243 843911729 /nfs/dbraw/zinc/91/17/29/843911729.db2.gz JBVTYUHBOQBVGG-FRRDWIJNSA-N 2 1 357.455 -0.964 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862243 843911724 /nfs/dbraw/zinc/91/17/24/843911724.db2.gz JBVTYUHBOQBVGG-FRRDWIJNSA-N 2 1 357.455 -0.964 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862244 843911684 /nfs/dbraw/zinc/91/16/84/843911684.db2.gz JBVTYUHBOQBVGG-JHJVBQTASA-N 2 1 357.455 -0.964 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862244 843911678 /nfs/dbraw/zinc/91/16/78/843911678.db2.gz JBVTYUHBOQBVGG-JHJVBQTASA-N 2 1 357.455 -0.964 20 0 FBADMP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001160862259 843911653 /nfs/dbraw/zinc/91/16/53/843911653.db2.gz JRLGMHZVWYEPFB-ZYHUDNBSSA-N 2 1 370.479 -0.400 20 0 FBADMP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001160862259 843911645 /nfs/dbraw/zinc/91/16/45/843911645.db2.gz JRLGMHZVWYEPFB-ZYHUDNBSSA-N 2 1 370.479 -0.400 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001160862276 843911535 /nfs/dbraw/zinc/91/15/35/843911535.db2.gz KSMFWHWAHZWIDK-CHWSQXEVSA-N 2 1 353.423 -0.263 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001160862276 843911530 /nfs/dbraw/zinc/91/15/30/843911530.db2.gz KSMFWHWAHZWIDK-CHWSQXEVSA-N 2 1 353.423 -0.263 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)O1 ZINC001160862278 843911631 /nfs/dbraw/zinc/91/16/31/843911631.db2.gz KTQGSHVXQRGQRQ-QLFBSQMISA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)O1 ZINC001160862278 843911624 /nfs/dbraw/zinc/91/16/24/843911624.db2.gz KTQGSHVXQRGQRQ-QLFBSQMISA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)O1 ZINC001160862279 843911704 /nfs/dbraw/zinc/91/17/04/843911704.db2.gz KTQGSHVXQRGQRQ-RBSFLKMASA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)O1 ZINC001160862279 843911701 /nfs/dbraw/zinc/91/17/01/843911701.db2.gz KTQGSHVXQRGQRQ-RBSFLKMASA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nccs2)O1 ZINC001160862556 843911938 /nfs/dbraw/zinc/91/19/38/843911938.db2.gz RAVJMZASGXUAPS-VXGBXAGGSA-N 2 1 355.464 -0.103 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nccs2)O1 ZINC001160862556 843911934 /nfs/dbraw/zinc/91/19/34/843911934.db2.gz RAVJMZASGXUAPS-VXGBXAGGSA-N 2 1 355.464 -0.103 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)O1 ZINC001160862665 843911370 /nfs/dbraw/zinc/91/13/70/843911370.db2.gz UILYIQRRFSCGLT-CHWSQXEVSA-N 2 1 350.423 -0.770 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)O1 ZINC001160862665 843911363 /nfs/dbraw/zinc/91/13/63/843911363.db2.gz UILYIQRRFSCGLT-CHWSQXEVSA-N 2 1 350.423 -0.770 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001160862698 843911771 /nfs/dbraw/zinc/91/17/71/843911771.db2.gz VKXKSYDEHMNHIC-UKRRQHHQSA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001160862698 843911765 /nfs/dbraw/zinc/91/17/65/843911765.db2.gz VKXKSYDEHMNHIC-UKRRQHHQSA-N 2 1 356.467 -0.903 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCCC3)O1 ZINC001160862861 843912035 /nfs/dbraw/zinc/91/20/35/843912035.db2.gz YMSZQFMPHMMLCY-ZIAGYGMSSA-N 2 1 350.467 -0.071 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCCC3)O1 ZINC001160862861 843912030 /nfs/dbraw/zinc/91/20/30/843912030.db2.gz YMSZQFMPHMMLCY-ZIAGYGMSSA-N 2 1 350.467 -0.071 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ncnn2CC(F)F)O1 ZINC001160862887 843911395 /nfs/dbraw/zinc/91/13/95/843911395.db2.gz ZWJGTLPWYUYIKC-VXGBXAGGSA-N 2 1 360.409 -0.142 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ncnn2CC(F)F)O1 ZINC001160862887 843911389 /nfs/dbraw/zinc/91/13/89/843911389.db2.gz ZWJGTLPWYUYIKC-VXGBXAGGSA-N 2 1 360.409 -0.142 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccco2)O1 ZINC001160862890 843911561 /nfs/dbraw/zinc/91/15/61/843911561.db2.gz ZZOPXCWEVJIHFD-UKRRQHHQSA-N 2 1 352.435 -0.289 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccco2)O1 ZINC001160862890 843911553 /nfs/dbraw/zinc/91/15/53/843911553.db2.gz ZZOPXCWEVJIHFD-UKRRQHHQSA-N 2 1 352.435 -0.289 20 0 FBADMP CN1C[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999928 843914281 /nfs/dbraw/zinc/91/42/81/843914281.db2.gz NAIJOHFUJWSYQU-CABCVRRESA-N 2 1 352.479 -0.845 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999928 843914275 /nfs/dbraw/zinc/91/42/75/843914275.db2.gz NAIJOHFUJWSYQU-CABCVRRESA-N 3 1 352.479 -0.845 20 0 FBADMP CN1C[C@@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999932 843914371 /nfs/dbraw/zinc/91/43/71/843914371.db2.gz NAIJOHFUJWSYQU-GJZGRUSLSA-N 2 1 352.479 -0.845 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999932 843914364 /nfs/dbraw/zinc/91/43/64/843914364.db2.gz NAIJOHFUJWSYQU-GJZGRUSLSA-N 3 1 352.479 -0.845 20 0 FBADMP CN1C[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999935 843914013 /nfs/dbraw/zinc/91/40/13/843914013.db2.gz NAIJOHFUJWSYQU-HUUCEWRRSA-N 2 1 352.479 -0.845 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999935 843914012 /nfs/dbraw/zinc/91/40/12/843914012.db2.gz NAIJOHFUJWSYQU-HUUCEWRRSA-N 3 1 352.479 -0.845 20 0 FBADMP CN1C[C@@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999937 843914196 /nfs/dbraw/zinc/91/41/96/843914196.db2.gz NAIJOHFUJWSYQU-LSDHHAIUSA-N 2 1 352.479 -0.845 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999937 843914188 /nfs/dbraw/zinc/91/41/88/843914188.db2.gz NAIJOHFUJWSYQU-LSDHHAIUSA-N 3 1 352.479 -0.845 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068095 843915404 /nfs/dbraw/zinc/91/54/04/843915404.db2.gz NEUCOZBGFQBDDJ-AWEZNQCLSA-N 2 1 367.475 -0.698 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068097 843915670 /nfs/dbraw/zinc/91/56/70/843915670.db2.gz NEUCOZBGFQBDDJ-CQSZACIVSA-N 2 1 367.475 -0.698 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001161081067 843915691 /nfs/dbraw/zinc/91/56/91/843915691.db2.gz DFCSZNUMGQDTQQ-ILXRZTDVSA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001161081067 843915688 /nfs/dbraw/zinc/91/56/88/843915688.db2.gz DFCSZNUMGQDTQQ-ILXRZTDVSA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001161081068 843915343 /nfs/dbraw/zinc/91/53/43/843915343.db2.gz DFCSZNUMGQDTQQ-KFWWJZLASA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001161081068 843915333 /nfs/dbraw/zinc/91/53/33/843915333.db2.gz DFCSZNUMGQDTQQ-KFWWJZLASA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]21 ZINC001161081069 843915710 /nfs/dbraw/zinc/91/57/10/843915710.db2.gz DFCSZNUMGQDTQQ-QLFBSQMISA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]21 ZINC001161081069 843915705 /nfs/dbraw/zinc/91/57/05/843915705.db2.gz DFCSZNUMGQDTQQ-QLFBSQMISA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]21 ZINC001161081070 843915577 /nfs/dbraw/zinc/91/55/77/843915577.db2.gz DFCSZNUMGQDTQQ-RBSFLKMASA-N 2 1 355.504 -0.047 20 0 FBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]21 ZINC001161081070 843915573 /nfs/dbraw/zinc/91/55/73/843915573.db2.gz DFCSZNUMGQDTQQ-RBSFLKMASA-N 2 1 355.504 -0.047 20 0 FBADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001161157766 843916846 /nfs/dbraw/zinc/91/68/46/843916846.db2.gz IZQGAGPCNJWCDN-AWEZNQCLSA-N 2 1 356.467 -0.820 20 0 FBADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161157766 843916841 /nfs/dbraw/zinc/91/68/41/843916841.db2.gz IZQGAGPCNJWCDN-AWEZNQCLSA-N 2 1 356.467 -0.820 20 0 FBADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001161157767 843917226 /nfs/dbraw/zinc/91/72/26/843917226.db2.gz IZQGAGPCNJWCDN-CQSZACIVSA-N 2 1 356.467 -0.820 20 0 FBADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161157767 843917217 /nfs/dbraw/zinc/91/72/17/843917217.db2.gz IZQGAGPCNJWCDN-CQSZACIVSA-N 2 1 356.467 -0.820 20 0 FBADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161160852 843917081 /nfs/dbraw/zinc/91/70/81/843917081.db2.gz HNEVPFIJWZLVMD-UHFFFAOYSA-N 2 1 356.492 -0.203 20 0 FBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196193 843917244 /nfs/dbraw/zinc/91/72/44/843917244.db2.gz ALVBJNJJGQAAJE-IAGOWNOFSA-N 3 1 354.495 -0.740 20 0 FBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196196 843917374 /nfs/dbraw/zinc/91/73/74/843917374.db2.gz ALVBJNJJGQAAJE-IRXDYDNUSA-N 3 1 354.495 -0.740 20 0 FBADMP O=C([C@@H]1CNC(=O)N1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196409 843917153 /nfs/dbraw/zinc/91/71/53/843917153.db2.gz GMIKIQUBPFMDIU-HNNXBMFYSA-N 2 1 353.467 -0.782 20 0 FBADMP O=C([C@@H]1COCC[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197508 843917388 /nfs/dbraw/zinc/91/73/88/843917388.db2.gz AZNGJZGTIDVEJT-KRWDZBQOSA-N 2 1 354.495 -0.475 20 0 FBADMP C[NH2+][C@H](C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@@H](C)O ZINC001161197788 843917126 /nfs/dbraw/zinc/91/71/26/843917126.db2.gz FJWOITUXHQHPGY-WBVHZDCISA-N 3 1 356.511 -0.494 20 0 FBADMP [NH3+][C@@H]1COC[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198024 843917459 /nfs/dbraw/zinc/91/74/59/843917459.db2.gz JRFGAJVINKNERH-DLBZAZTESA-N 3 1 354.495 -0.489 20 0 FBADMP O=C([C@H]1C[NH2+]C[C@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198027 843916984 /nfs/dbraw/zinc/91/69/84/843916984.db2.gz JUPREKVAXNMNCA-DLBZAZTESA-N 3 1 354.495 -0.883 20 0 FBADMP O=C([C@@H]1C[NH2+]C[C@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198028 843917424 /nfs/dbraw/zinc/91/74/24/843917424.db2.gz JUPREKVAXNMNCA-IAGOWNOFSA-N 3 1 354.495 -0.883 20 0 FBADMP O=C([C@H]1C[NH2+]C[C@@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198029 843917287 /nfs/dbraw/zinc/91/72/87/843917287.db2.gz JUPREKVAXNMNCA-IRXDYDNUSA-N 3 1 354.495 -0.883 20 0 FBADMP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198030 843917267 /nfs/dbraw/zinc/91/72/67/843917267.db2.gz JUPREKVAXNMNCA-SJORKVTESA-N 3 1 354.495 -0.883 20 0 FBADMP N[C@]1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161198130 843917319 /nfs/dbraw/zinc/91/73/19/843917319.db2.gz LXKUCENVSZEEHF-GOSISDBHSA-N 3 1 353.511 -0.772 20 0 FBADMP N[C@@]1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161198191 843917481 /nfs/dbraw/zinc/91/74/81/843917481.db2.gz LXKUCENVSZEEHF-SFHVURJKSA-N 3 1 353.511 -0.772 20 0 FBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198312 843917356 /nfs/dbraw/zinc/91/73/56/843917356.db2.gz PKQSJKUPSYEMDI-IRXDYDNUSA-N 3 1 353.511 -0.916 20 0 FBADMP [NH3+]CCCNCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198462 843917434 /nfs/dbraw/zinc/91/74/34/843917434.db2.gz RWHKRGFRWXXYGI-UHFFFAOYSA-N 2 1 355.527 -0.525 20 0 FBADMP O=C([C@H]1[NH2+]CC[C@@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198770 843918121 /nfs/dbraw/zinc/91/81/21/843918121.db2.gz XRBDULMXROGMFK-IRXDYDNUSA-N 3 1 354.495 -0.740 20 0 FBADMP O=C([C@H]1[NH2+]CC[C@H]1O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198771 843917927 /nfs/dbraw/zinc/91/79/27/843917927.db2.gz XRBDULMXROGMFK-SJORKVTESA-N 3 1 354.495 -0.740 20 0 FBADMP COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)cc1 ZINC001161269253 843918759 /nfs/dbraw/zinc/91/87/59/843918759.db2.gz VMVJVSFDSWTQFX-HNNXBMFYSA-N 2 1 370.475 -0.359 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270720 843919603 /nfs/dbraw/zinc/91/96/03/843919603.db2.gz WKYDWTBDQGQRHS-UHFFFAOYSA-N 2 1 358.508 -0.255 20 0 FBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270911 843919644 /nfs/dbraw/zinc/91/96/44/843919644.db2.gz ZCEWUECOMNCQNA-UHFFFAOYSA-N 2 1 353.467 -0.639 20 0 FBADMP COc1cc(C)nc(N(C(=O)[C@@H](N)CSCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309815 843920233 /nfs/dbraw/zinc/92/02/33/843920233.db2.gz VMAYBMGTRFKVGU-ZDUSSCGKSA-N 2 1 368.507 -0.102 20 0 FBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379450 843921694 /nfs/dbraw/zinc/92/16/94/843921694.db2.gz PZDRLNWZTQDZDK-BPUTZDHNSA-N 3 1 353.511 -0.112 20 0 FBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379451 843921659 /nfs/dbraw/zinc/92/16/59/843921659.db2.gz PZDRLNWZTQDZDK-IMJJTQAJSA-N 3 1 353.511 -0.112 20 0 FBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001161386873 843922088 /nfs/dbraw/zinc/92/20/88/843922088.db2.gz MQKUFQGVSLSKDG-CYBMUJFWSA-N 2 1 356.448 -0.410 20 0 FBADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001161386874 843922102 /nfs/dbraw/zinc/92/21/02/843922102.db2.gz MQKUFQGVSLSKDG-ZDUSSCGKSA-N 2 1 356.448 -0.410 20 0 FBADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001161480318 843923170 /nfs/dbraw/zinc/92/31/70/843923170.db2.gz OVUIGKRJWIMLBF-DEYYWGMASA-N 2 1 352.479 -0.188 20 0 FBADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001161480320 843923447 /nfs/dbraw/zinc/92/34/47/843923447.db2.gz OVUIGKRJWIMLBF-GLJUWKHASA-N 2 1 352.479 -0.188 20 0 FBADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001161480322 843923105 /nfs/dbraw/zinc/92/31/05/843923105.db2.gz OVUIGKRJWIMLBF-IYOUNJFTSA-N 2 1 352.479 -0.188 20 0 FBADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001161480324 843923835 /nfs/dbraw/zinc/92/38/35/843923835.db2.gz OVUIGKRJWIMLBF-LBTNJELSSA-N 2 1 352.479 -0.188 20 0 FBADMP [NH3+]C1CC[NH+](CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001161870124 843927978 /nfs/dbraw/zinc/92/79/78/843927978.db2.gz GQRSKOUAAHIETO-UHFFFAOYSA-N 2 1 369.491 -0.063 20 0 FBADMP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275530 843931693 /nfs/dbraw/zinc/93/16/93/843931693.db2.gz VWXAOYCRWMALSC-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](CCCO)CC1 ZINC001162319958 843931892 /nfs/dbraw/zinc/93/18/92/843931892.db2.gz DZZIFQLEVZEYHO-HZPDHXFCSA-N 2 1 357.495 -0.067 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](CCCO)CC1 ZINC001162319958 843931887 /nfs/dbraw/zinc/93/18/87/843931887.db2.gz DZZIFQLEVZEYHO-HZPDHXFCSA-N 2 1 357.495 -0.067 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)O)CC1 ZINC001162320768 843931538 /nfs/dbraw/zinc/93/15/38/843931538.db2.gz PXULAUUNNZJZPT-ARFHVFGLSA-N 2 1 357.495 -0.069 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)O)CC1 ZINC001162320768 843931533 /nfs/dbraw/zinc/93/15/33/843931533.db2.gz PXULAUUNNZJZPT-ARFHVFGLSA-N 2 1 357.495 -0.069 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162320769 843931502 /nfs/dbraw/zinc/93/15/02/843931502.db2.gz PXULAUUNNZJZPT-BZUAXINKSA-N 2 1 357.495 -0.069 20 0 FBADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162320769 843931497 /nfs/dbraw/zinc/93/14/97/843931497.db2.gz PXULAUUNNZJZPT-BZUAXINKSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(S(N)(=O)=O)cc1C(=O)OC ZINC001163128582 843941586 /nfs/dbraw/zinc/94/15/86/843941586.db2.gz MCSAPJBBKMDSQN-UHFFFAOYSA-N 2 1 372.451 -0.206 20 0 FBADMP CN(CC[NH+](C)C)c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001163590169 843943729 /nfs/dbraw/zinc/94/37/29/843943729.db2.gz VBEMWCMARIOAAG-UHFFFAOYSA-N 2 1 351.455 -0.457 20 0 FBADMP CS(=O)(=O)c1nc2c(c(N3CCC(F)(F)[C@H]([NH3+])C3)n1)CC[NH2+]CC2 ZINC001164316323 843947643 /nfs/dbraw/zinc/94/76/43/843947643.db2.gz BNYRPCAYBVDOFQ-LLVKDONJSA-N 2 1 361.418 -0.259 20 0 FBADMP CS(=O)(=O)c1nc2c(c(N3CCC(F)(F)[C@@H]([NH3+])C3)n1)CC[NH2+]CC2 ZINC001164316325 843947487 /nfs/dbraw/zinc/94/74/87/843947487.db2.gz BNYRPCAYBVDOFQ-NSHDSACASA-N 2 1 361.418 -0.259 20 0 FBADMP C[NH+]1CCN(c2nccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n2)CC1 ZINC001164416430 718885740 /nfs/dbraw/zinc/88/57/40/718885740.db2.gz WOYXPLNRRQGFMV-UHFFFAOYSA-N 2 1 369.477 -0.081 20 0 FBADMP C[NH+]1CCN(c2nccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001164423534 718918444 /nfs/dbraw/zinc/91/84/44/718918444.db2.gz IGZGETDZRVRKPL-GOSISDBHSA-N 2 1 362.478 -0.186 20 0 FBADMP C[NH+]1CCN(c2nccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001164423535 718918137 /nfs/dbraw/zinc/91/81/37/718918137.db2.gz IGZGETDZRVRKPL-SFHVURJKSA-N 2 1 362.478 -0.186 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001164575603 843949416 /nfs/dbraw/zinc/94/94/16/843949416.db2.gz CNWVMZJVLSJEOD-ZIAGYGMSSA-N 2 1 360.524 -0.248 20 0 FBADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001164576642 843949460 /nfs/dbraw/zinc/94/94/60/843949460.db2.gz VDKRRRYGIPFCTL-JHJVBQTASA-N 2 1 353.467 -0.214 20 0 FBADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001164576643 843949525 /nfs/dbraw/zinc/94/95/25/843949525.db2.gz VDKRRRYGIPFCTL-YNEHKIRRSA-N 2 1 353.467 -0.214 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001164578811 843949399 /nfs/dbraw/zinc/94/93/99/843949399.db2.gz STSYRMIZQOHFMR-CHWSQXEVSA-N 2 1 350.467 -0.175 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001164578854 843949507 /nfs/dbraw/zinc/94/95/07/843949507.db2.gz WFULJKWYTRXOKU-QWHCGFSZSA-N 2 1 353.467 -0.212 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582646 843949549 /nfs/dbraw/zinc/94/95/49/843949549.db2.gz LVBXSERRIPQGIW-CHWSQXEVSA-N 2 1 353.467 -0.342 20 0 FBADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164618188 719018552 /nfs/dbraw/zinc/01/85/52/719018552.db2.gz QROCMLSBBFPWMS-ILXRZTDVSA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164618189 719018293 /nfs/dbraw/zinc/01/82/93/719018293.db2.gz QROCMLSBBFPWMS-KKUMJFAQSA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164618190 719018315 /nfs/dbraw/zinc/01/83/15/719018315.db2.gz QROCMLSBBFPWMS-QLFBSQMISA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164618191 719018535 /nfs/dbraw/zinc/01/85/35/719018535.db2.gz QROCMLSBBFPWMS-SOUVJXGZSA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164618284 719013269 /nfs/dbraw/zinc/01/32/69/719013269.db2.gz RZZXOKPDXGHAAN-ILXRZTDVSA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164618286 719012857 /nfs/dbraw/zinc/01/28/57/719012857.db2.gz RZZXOKPDXGHAAN-KKUMJFAQSA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164618288 719013006 /nfs/dbraw/zinc/01/30/06/719013006.db2.gz RZZXOKPDXGHAAN-QLFBSQMISA-N 2 1 360.462 -0.042 20 0 FBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164618290 719013196 /nfs/dbraw/zinc/01/31/96/719013196.db2.gz RZZXOKPDXGHAAN-SOUVJXGZSA-N 2 1 360.462 -0.042 20 0 FBADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(N)(=O)=O)nn2)c2c1CC[NH2+]C2 ZINC001164679759 719648223 /nfs/dbraw/zinc/64/82/23/719648223.db2.gz MGMYSVYCHRLAJF-UHFFFAOYSA-N 2 1 365.463 -0.204 20 0 FBADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(N)(=O)=O)nn2)c2c1CC[NH2+]C2 ZINC001164679759 719648219 /nfs/dbraw/zinc/64/82/19/719648219.db2.gz MGMYSVYCHRLAJF-UHFFFAOYSA-N 2 1 365.463 -0.204 20 0 FBADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164752052 720951892 /nfs/dbraw/zinc/95/18/92/720951892.db2.gz UOJLWSYRCYDQHW-UHFFFAOYSA-N 2 1 357.418 -0.078 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C[NH3+])ncn3)CC2)C1 ZINC001164870461 721267950 /nfs/dbraw/zinc/26/79/50/721267950.db2.gz ZETQLLSCHJCCSL-UHFFFAOYSA-N 2 1 362.478 -0.058 20 0 FBADMP C[N@@H+]1C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C1 ZINC001165144296 843949778 /nfs/dbraw/zinc/94/97/78/843949778.db2.gz HRAJWJLCWAUCAC-TXEJJXNPSA-N 2 1 351.476 -0.434 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3nncn3C)CC2)O1 ZINC001165711278 843953596 /nfs/dbraw/zinc/95/35/96/843953596.db2.gz LQKGMUGKUYHSKQ-ZIAGYGMSSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3nncn3C)CC2)O1 ZINC001165711278 843953589 /nfs/dbraw/zinc/95/35/89/843953589.db2.gz LQKGMUGKUYHSKQ-ZIAGYGMSSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001165711551 843953706 /nfs/dbraw/zinc/95/37/06/843953706.db2.gz RYHXEHBMUAYAJR-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001165711551 843953701 /nfs/dbraw/zinc/95/37/01/843953701.db2.gz RYHXEHBMUAYAJR-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001165727670 843953959 /nfs/dbraw/zinc/95/39/59/843953959.db2.gz GKXRAZDTFVWDAN-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001165727670 843953956 /nfs/dbraw/zinc/95/39/56/843953956.db2.gz GKXRAZDTFVWDAN-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001165727677 843953998 /nfs/dbraw/zinc/95/39/98/843953998.db2.gz GKXRAZDTFVWDAN-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001165727677 843953997 /nfs/dbraw/zinc/95/39/97/843953997.db2.gz GKXRAZDTFVWDAN-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001165727802 843953506 /nfs/dbraw/zinc/95/35/06/843953506.db2.gz INOIJWLMTKISLF-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001165727802 843953498 /nfs/dbraw/zinc/95/34/98/843953498.db2.gz INOIJWLMTKISLF-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnnn3C)CC2)O1 ZINC001165727875 843953619 /nfs/dbraw/zinc/95/36/19/843953619.db2.gz JHSYFGKFHBTJSZ-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnnn3C)CC2)O1 ZINC001165727875 843953616 /nfs/dbraw/zinc/95/36/16/843953616.db2.gz JHSYFGKFHBTJSZ-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC3CC3)CC2)O1 ZINC001165727891 843954015 /nfs/dbraw/zinc/95/40/15/843954015.db2.gz KAFPARSEBIZQQW-UKRRQHHQSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC3CC3)CC2)O1 ZINC001165727891 843954012 /nfs/dbraw/zinc/95/40/12/843954012.db2.gz KAFPARSEBIZQQW-UKRRQHHQSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)O1 ZINC001165727918 843954039 /nfs/dbraw/zinc/95/40/39/843954039.db2.gz KNIRSHNCPUBTEK-ZIAGYGMSSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)O1 ZINC001165727918 843954035 /nfs/dbraw/zinc/95/40/35/843954035.db2.gz KNIRSHNCPUBTEK-ZIAGYGMSSA-N 2 1 361.508 -0.374 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001165728763 843953441 /nfs/dbraw/zinc/95/34/41/843953441.db2.gz TYIZWCPSTUXYLJ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001165728763 843953434 /nfs/dbraw/zinc/95/34/34/843953434.db2.gz TYIZWCPSTUXYLJ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001165728764 843953792 /nfs/dbraw/zinc/95/37/92/843953792.db2.gz TYIZWCPSTUXYLJ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001165728764 843953787 /nfs/dbraw/zinc/95/37/87/843953787.db2.gz TYIZWCPSTUXYLJ-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCn3cncn3)CC2)O1 ZINC001165728845 843954030 /nfs/dbraw/zinc/95/40/30/843954030.db2.gz VTVJIEXTQCPEKR-HUUCEWRRSA-N 2 1 350.467 -0.127 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCn3cncn3)CC2)O1 ZINC001165728845 843954025 /nfs/dbraw/zinc/95/40/25/843954025.db2.gz VTVJIEXTQCPEKR-HUUCEWRRSA-N 2 1 350.467 -0.127 20 0 FBADMP N=c1sc2c(n1-c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC[NH2+]C2 ZINC001166859833 843963355 /nfs/dbraw/zinc/96/33/55/843963355.db2.gz DESLVAQASHKMHV-UHFFFAOYSA-N 2 1 359.459 -0.106 20 0 FBADMP [NH3+][C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C[C@@H]1F ZINC001166927630 843964165 /nfs/dbraw/zinc/96/41/65/843964165.db2.gz GLOKTPRZWMTSRK-NWDGAFQWSA-N 2 1 353.402 -0.970 20 0 FBADMP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]([NH3+])C(F)(F)C3)n1)CC[NH2+]CC2 ZINC001166961180 843964680 /nfs/dbraw/zinc/96/46/80/843964680.db2.gz WNTYWPZIXPKWPD-LLVKDONJSA-N 2 1 361.418 -0.259 20 0 FBADMP CS(=O)(=O)c1nc2c(c(N3CC[C@H]([NH3+])C(F)(F)C3)n1)CC[NH2+]CC2 ZINC001166961183 843964925 /nfs/dbraw/zinc/96/49/25/843964925.db2.gz WNTYWPZIXPKWPD-NSHDSACASA-N 2 1 361.418 -0.259 20 0 FBADMP CS(=O)(=O)c1nc2c(c(N3CCc4[nH+]ccn4CC3)n1)CC[NH2+]CC2 ZINC001167177916 835985512 /nfs/dbraw/zinc/98/55/12/835985512.db2.gz BDOOSZQVLHHNLP-UHFFFAOYSA-N 2 1 362.459 -0.173 20 0 FBADMP N=c1cc(C[NH3+])ncn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001167362050 835999465 /nfs/dbraw/zinc/99/94/65/835999465.db2.gz LWPKIPARJMMOLB-UHFFFAOYSA-N 2 1 362.459 -0.159 20 0 FBADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC1 ZINC001169240045 839258572 /nfs/dbraw/zinc/25/85/72/839258572.db2.gz CCRALKUWKHNFBK-RRFJBIMHSA-N 2 1 352.435 -0.020 20 0 FBADMP CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548943 839308892 /nfs/dbraw/zinc/30/88/92/839308892.db2.gz JFRRKHYJPRCFNN-BRWVUGGUSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548943 839308880 /nfs/dbraw/zinc/30/88/80/839308880.db2.gz JFRRKHYJPRCFNN-BRWVUGGUSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548943 839308868 /nfs/dbraw/zinc/30/88/68/839308868.db2.gz JFRRKHYJPRCFNN-BRWVUGGUSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548945 839309579 /nfs/dbraw/zinc/30/95/79/839309579.db2.gz JFRRKHYJPRCFNN-IXDOHACOSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548945 839309573 /nfs/dbraw/zinc/30/95/73/839309573.db2.gz JFRRKHYJPRCFNN-IXDOHACOSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548945 839309560 /nfs/dbraw/zinc/30/95/60/839309560.db2.gz JFRRKHYJPRCFNN-IXDOHACOSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(CC[NH3+])CCNc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001170499319 839624326 /nfs/dbraw/zinc/62/43/26/839624326.db2.gz QVFNSHGALGVODW-UHFFFAOYSA-N 2 1 356.496 -0.534 20 0 FBADMP C[NH+]1CCN(C(=O)c2ccnc(NCCOCCOCC[NH3+])c2)CC1 ZINC001170505037 839629224 /nfs/dbraw/zinc/62/92/24/839629224.db2.gz JJKRMKWLVOIPRA-UHFFFAOYSA-N 2 1 351.451 -0.127 20 0 FBADMP [NH3+]CCC[C@H]([NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1 ZINC001170906646 839754271 /nfs/dbraw/zinc/75/42/71/839754271.db2.gz XIGFPLJHLDOTQO-CYBMUJFWSA-N 2 1 357.415 -0.142 20 0 FBADMP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1 ZINC001170906652 839754245 /nfs/dbraw/zinc/75/42/45/839754245.db2.gz XIGFPLJHLDOTQO-ZDUSSCGKSA-N 2 1 357.415 -0.142 20 0 FBADMP C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487630 840256493 /nfs/dbraw/zinc/25/64/93/840256493.db2.gz WYTGSZHAPRMFIV-BFHYXJOUSA-N 2 1 353.471 -0.306 20 0 FBADMP C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487631 840256649 /nfs/dbraw/zinc/25/66/49/840256649.db2.gz WYTGSZHAPRMFIV-MGPQQGTHSA-N 2 1 353.471 -0.306 20 0 FBADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499779 840256286 /nfs/dbraw/zinc/25/62/86/840256286.db2.gz IGOFRSQWZBTQIS-JHJVBQTASA-N 2 1 357.455 -0.835 20 0 FBADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499779 840256276 /nfs/dbraw/zinc/25/62/76/840256276.db2.gz IGOFRSQWZBTQIS-JHJVBQTASA-N 2 1 357.455 -0.835 20 0 FBADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499780 840256416 /nfs/dbraw/zinc/25/64/16/840256416.db2.gz IGOFRSQWZBTQIS-YNEHKIRRSA-N 2 1 357.455 -0.835 20 0 FBADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499780 840256403 /nfs/dbraw/zinc/25/64/03/840256403.db2.gz IGOFRSQWZBTQIS-YNEHKIRRSA-N 2 1 357.455 -0.835 20 0 FBADMP C[C@@H](CCCCNCc1nnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500285 840256564 /nfs/dbraw/zinc/25/65/64/840256564.db2.gz KENFWDWSYVBXBG-BFHYXJOUSA-N 2 1 353.471 -0.306 20 0 FBADMP C[C@@H](CCCCNCc1nnn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500285 840256559 /nfs/dbraw/zinc/25/65/59/840256559.db2.gz KENFWDWSYVBXBG-BFHYXJOUSA-N 2 1 353.471 -0.306 20 0 FBADMP C[C@H](CCCCNCc1nnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500286 840256155 /nfs/dbraw/zinc/25/61/55/840256155.db2.gz KENFWDWSYVBXBG-MGPQQGTHSA-N 2 1 353.471 -0.306 20 0 FBADMP C[C@H](CCCCNCc1nnn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500286 840256139 /nfs/dbraw/zinc/25/61/39/840256139.db2.gz KENFWDWSYVBXBG-MGPQQGTHSA-N 2 1 353.471 -0.306 20 0 FBADMP CN1CCN(Cc2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)s2)CC1 ZINC001171662005 840257956 /nfs/dbraw/zinc/25/79/56/840257956.db2.gz KABTWOFHERFRRN-KRWDZBQOSA-N 2 1 368.503 -0.424 20 0 FBADMP CN1CCN(Cc2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)s2)CC1 ZINC001171662006 840257624 /nfs/dbraw/zinc/25/76/24/840257624.db2.gz KABTWOFHERFRRN-QGZVFWFLSA-N 2 1 368.503 -0.424 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119242 840264438 /nfs/dbraw/zinc/26/44/38/840264438.db2.gz WUXPADFBTJPGOI-BTTYYORXSA-N 2 1 354.451 -0.613 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119242 840264425 /nfs/dbraw/zinc/26/44/25/840264425.db2.gz WUXPADFBTJPGOI-BTTYYORXSA-N 2 1 354.451 -0.613 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119243 840265316 /nfs/dbraw/zinc/26/53/16/840265316.db2.gz WUXPADFBTJPGOI-ZSOGYDGISA-N 2 1 354.451 -0.613 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119243 840265311 /nfs/dbraw/zinc/26/53/11/840265311.db2.gz WUXPADFBTJPGOI-ZSOGYDGISA-N 2 1 354.451 -0.613 20 0 FBADMP CNC(=O)CN1CCO[C@H]2C[N@H+](C3CC[NH+](CCCOC)CC3)C[C@H]21 ZINC001172252539 840264892 /nfs/dbraw/zinc/26/48/92/840264892.db2.gz TWVQNLMNIRCWRZ-SJORKVTESA-N 2 1 354.495 -0.382 20 0 FBADMP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CC[NH+](CCCOC)CC3)C[C@H]21 ZINC001172252539 840264883 /nfs/dbraw/zinc/26/48/83/840264883.db2.gz TWVQNLMNIRCWRZ-SJORKVTESA-N 2 1 354.495 -0.382 20 0 FBADMP COCCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CNC(=O)CN3C(C)=O)CC1 ZINC001172255154 840264772 /nfs/dbraw/zinc/26/47/72/840264772.db2.gz ININCBSFIRRDPL-GOSISDBHSA-N 2 1 352.479 -0.090 20 0 FBADMP COCCC[NH+]1CCC([N@@H+]2CC[C@]3(C2)CNC(=O)CN3C(C)=O)CC1 ZINC001172255154 840264753 /nfs/dbraw/zinc/26/47/53/840264753.db2.gz ININCBSFIRRDPL-GOSISDBHSA-N 2 1 352.479 -0.090 20 0 FBADMP COCCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)CC1 ZINC001172255155 840265162 /nfs/dbraw/zinc/26/51/62/840265162.db2.gz ININCBSFIRRDPL-SFHVURJKSA-N 2 1 352.479 -0.090 20 0 FBADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)CC1 ZINC001172255155 840265151 /nfs/dbraw/zinc/26/51/51/840265151.db2.gz ININCBSFIRRDPL-SFHVURJKSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[N@H+]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001173363649 840269369 /nfs/dbraw/zinc/26/93/69/840269369.db2.gz PUGUOGXUQKEODX-AWEZNQCLSA-N 2 1 369.491 -0.408 20 0 FBADMP CC[N@@H+]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001173363649 840269361 /nfs/dbraw/zinc/26/93/61/840269361.db2.gz PUGUOGXUQKEODX-AWEZNQCLSA-N 2 1 369.491 -0.408 20 0 FBADMP CC[N@H+]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001173363651 840269199 /nfs/dbraw/zinc/26/91/99/840269199.db2.gz PUGUOGXUQKEODX-CQSZACIVSA-N 2 1 369.491 -0.408 20 0 FBADMP CC[N@@H+]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001173363651 840269192 /nfs/dbraw/zinc/26/91/92/840269192.db2.gz PUGUOGXUQKEODX-CQSZACIVSA-N 2 1 369.491 -0.408 20 0 FBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173568598 840272330 /nfs/dbraw/zinc/27/23/30/840272330.db2.gz YSPABISXBCASKH-BTTYYORXSA-N 2 1 355.435 -0.519 20 0 FBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173568599 840272553 /nfs/dbraw/zinc/27/25/53/840272553.db2.gz YSPABISXBCASKH-ZSOGYDGISA-N 2 1 355.435 -0.519 20 0 FBADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CCn1ccnc1 ZINC001176873735 840304306 /nfs/dbraw/zinc/30/43/06/840304306.db2.gz CPSCGZYJTJCJMQ-UHFFFAOYSA-N 2 1 353.404 -0.105 20 0 FBADMP CN(CCCNC(=O)C[NH+]1CCC(c2cncn2C)CC1)S(C)(=O)=O ZINC001176977955 840307077 /nfs/dbraw/zinc/30/70/77/840307077.db2.gz OTZRMYWKRWPLNG-UHFFFAOYSA-N 2 1 371.507 -0.003 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001178730822 840341121 /nfs/dbraw/zinc/34/11/21/840341121.db2.gz FGIAXBHYOBUWDU-BARDWOONSA-N 2 1 360.524 -0.203 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731020 840341958 /nfs/dbraw/zinc/34/19/58/840341958.db2.gz KYLBGTGQQMKRGN-RQJABVFESA-N 2 1 353.467 -0.249 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731578 840341174 /nfs/dbraw/zinc/34/11/74/840341174.db2.gz YEILBFDYAAVPDH-BARDWOONSA-N 2 1 360.524 -0.155 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001178735845 840341454 /nfs/dbraw/zinc/34/14/54/840341454.db2.gz FSAYQNFROSADBQ-ZQDZILKHSA-N 2 1 360.524 -0.155 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]2C)CC[N@H+]1C ZINC001178736254 840340781 /nfs/dbraw/zinc/34/07/81/840340781.db2.gz RDUGOURDXMLHMT-XDQVBPFNSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)O1 ZINC001178811380 840344274 /nfs/dbraw/zinc/34/42/74/840344274.db2.gz TVIWPHBIHOEEBI-ZIAGYGMSSA-N 2 1 353.471 -0.305 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001178811383 840345280 /nfs/dbraw/zinc/34/52/80/840345280.db2.gz UAMGSRUZJHAYED-CHWSQXEVSA-N 2 1 357.455 -0.833 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001178811383 840345271 /nfs/dbraw/zinc/34/52/71/840345271.db2.gz UAMGSRUZJHAYED-CHWSQXEVSA-N 2 1 357.455 -0.833 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCCNCc2nnn(C)n2)O1 ZINC001178811702 840345187 /nfs/dbraw/zinc/34/51/87/840345187.db2.gz ZGJFCKMNEKWYIP-ZIAGYGMSSA-N 2 1 353.471 -0.305 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001178948101 840347603 /nfs/dbraw/zinc/34/76/03/840347603.db2.gz FWMNCDDBECUXHD-IAGOWNOFSA-N 2 1 354.495 -0.571 20 0 FBADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001178948101 840347597 /nfs/dbraw/zinc/34/75/97/840347597.db2.gz FWMNCDDBECUXHD-IAGOWNOFSA-N 2 1 354.495 -0.571 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178948202 840347544 /nfs/dbraw/zinc/34/75/44/840347544.db2.gz IJWMWNUZKCGOAW-UHFFFAOYSA-N 2 1 351.495 -0.563 20 0 FBADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178948202 840347537 /nfs/dbraw/zinc/34/75/37/840347537.db2.gz IJWMWNUZKCGOAW-UHFFFAOYSA-N 2 1 351.495 -0.563 20 0 FBADMP C[NH+]1CCN(CC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001178956591 840346814 /nfs/dbraw/zinc/34/68/14/840346814.db2.gz WSFXYGXXZFWTTK-UHFFFAOYSA-N 2 1 356.268 -0.002 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178981844 840347444 /nfs/dbraw/zinc/34/74/44/840347444.db2.gz FYVJLMLVXAGVQU-CBBWQLFWSA-N 2 1 361.508 -0.281 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178981844 840347427 /nfs/dbraw/zinc/34/74/27/840347427.db2.gz FYVJLMLVXAGVQU-CBBWQLFWSA-N 2 1 361.508 -0.281 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982011 840348570 /nfs/dbraw/zinc/34/85/70/840348570.db2.gz JBXTZZAERLYCSF-BFJAYTPKSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982011 840348555 /nfs/dbraw/zinc/34/85/55/840348555.db2.gz JBXTZZAERLYCSF-BFJAYTPKSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982696 840349825 /nfs/dbraw/zinc/34/98/25/840349825.db2.gz QTZWZTATROFFAQ-BFJAYTPKSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982696 840349812 /nfs/dbraw/zinc/34/98/12/840349812.db2.gz QTZWZTATROFFAQ-BFJAYTPKSA-N 2 1 352.479 -0.095 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982717 840348980 /nfs/dbraw/zinc/34/89/80/840348980.db2.gz RDLAEOYROIYXRF-BFJAYTPKSA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982717 840348965 /nfs/dbraw/zinc/34/89/65/840348965.db2.gz RDLAEOYROIYXRF-BFJAYTPKSA-N 2 1 352.479 -0.189 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001180762416 840392174 /nfs/dbraw/zinc/39/21/74/840392174.db2.gz CGFFLWSMIZHJGB-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001180762416 840392169 /nfs/dbraw/zinc/39/21/69/840392169.db2.gz CGFFLWSMIZHJGB-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001180762417 840391745 /nfs/dbraw/zinc/39/17/45/840391745.db2.gz CGFFLWSMIZHJGB-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001180762417 840391739 /nfs/dbraw/zinc/39/17/39/840391739.db2.gz CGFFLWSMIZHJGB-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001181507422 840405800 /nfs/dbraw/zinc/40/58/00/840405800.db2.gz BGJXNZASZNIMDQ-HPTBWKMGSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001181884727 840412826 /nfs/dbraw/zinc/41/28/26/840412826.db2.gz KPMBPFCNWGKQJF-ATNYBXOESA-N 2 1 354.495 -0.132 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001181884727 840412819 /nfs/dbraw/zinc/41/28/19/840412819.db2.gz KPMBPFCNWGKQJF-ATNYBXOESA-N 2 1 354.495 -0.132 20 0 FBADMP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885291 840413042 /nfs/dbraw/zinc/41/30/42/840413042.db2.gz UMPZROHPYGUYSY-XLKGFZLASA-N 2 1 357.495 -0.213 20 0 FBADMP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885291 840413037 /nfs/dbraw/zinc/41/30/37/840413037.db2.gz UMPZROHPYGUYSY-XLKGFZLASA-N 2 1 357.495 -0.213 20 0 FBADMP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885293 840413368 /nfs/dbraw/zinc/41/33/68/840413368.db2.gz UMPZROHPYGUYSY-XSDHEKCYSA-N 2 1 357.495 -0.213 20 0 FBADMP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885293 840413363 /nfs/dbraw/zinc/41/33/63/840413363.db2.gz UMPZROHPYGUYSY-XSDHEKCYSA-N 2 1 357.495 -0.213 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001181885509 840412926 /nfs/dbraw/zinc/41/29/26/840412926.db2.gz WXDTWNPUDOKDHZ-YFHUEUNASA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001181885509 840412920 /nfs/dbraw/zinc/41/29/20/840412920.db2.gz WXDTWNPUDOKDHZ-YFHUEUNASA-N 2 1 357.495 -0.211 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885531 840412892 /nfs/dbraw/zinc/41/28/92/840412892.db2.gz XVCYTUCBODNAOP-ATNYBXOESA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885531 840412885 /nfs/dbraw/zinc/41/28/85/840412885.db2.gz XVCYTUCBODNAOP-ATNYBXOESA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182031034 840415917 /nfs/dbraw/zinc/41/59/17/840415917.db2.gz IWHOZOCTRFMIPR-UHFFFAOYSA-N 2 1 352.479 -0.354 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001182032749 840415944 /nfs/dbraw/zinc/41/59/44/840415944.db2.gz UQIQKIACYKZQBK-HZPDHXFCSA-N 2 1 355.479 -0.361 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001182676325 840436016 /nfs/dbraw/zinc/43/60/16/840436016.db2.gz HENRSNQBHHHMGE-MRVWCRGKSA-N 2 1 351.451 -0.495 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676335 840436005 /nfs/dbraw/zinc/43/60/05/840436005.db2.gz ICDGSQVVARDHGS-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001182676336 840436348 /nfs/dbraw/zinc/43/63/48/840436348.db2.gz IDVOUHSKGMJVQK-LVQVYYBASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001182676349 840436607 /nfs/dbraw/zinc/43/66/07/840436607.db2.gz IXOFQSYDIZNDBC-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676945 840436538 /nfs/dbraw/zinc/43/65/38/840436538.db2.gz SQNYUSIHERUERB-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001182683638 840436117 /nfs/dbraw/zinc/43/61/17/840436117.db2.gz CEBOCPDQJAVMGW-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC001182684551 840436594 /nfs/dbraw/zinc/43/65/94/840436594.db2.gz QSXYZJDBEKCFHA-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001182692105 840436323 /nfs/dbraw/zinc/43/63/23/840436323.db2.gz CMAKSLYYIHXZOE-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692309 840436188 /nfs/dbraw/zinc/43/61/88/840436188.db2.gz HWWYXOPXYCZGCY-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001182692456 840435905 /nfs/dbraw/zinc/43/59/05/840435905.db2.gz KLGZZLBPHHWWRX-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001183576006 840458478 /nfs/dbraw/zinc/45/84/78/840458478.db2.gz AACUPUHGYNMKEB-FVQBIDKESA-N 2 1 352.479 -0.045 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576100 840458543 /nfs/dbraw/zinc/45/85/43/840458543.db2.gz BWWIGHAUFKZPLY-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576217 840457851 /nfs/dbraw/zinc/45/78/51/840457851.db2.gz GRIRHYXNAIFUCH-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576453 840458431 /nfs/dbraw/zinc/45/84/31/840458431.db2.gz NKUUVDARJYPAHB-FVQBIDKESA-N 2 1 356.467 -0.951 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576453 840458424 /nfs/dbraw/zinc/45/84/24/840458424.db2.gz NKUUVDARJYPAHB-FVQBIDKESA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001183576467 840458575 /nfs/dbraw/zinc/45/85/75/840458575.db2.gz NZYOQSSGQCSSED-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001183577029 840458039 /nfs/dbraw/zinc/45/80/39/840458039.db2.gz VEVLIGKYJGWQIJ-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)O1 ZINC001183577032 840458254 /nfs/dbraw/zinc/45/82/54/840458254.db2.gz VHARSKZMNWOFNY-IJLUTSLNSA-N 2 1 366.384 -0.426 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183577057 840458231 /nfs/dbraw/zinc/45/82/31/840458231.db2.gz WJTZQDVDTYCSLS-RBSFLKMASA-N 2 1 355.483 -0.396 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183577057 840458225 /nfs/dbraw/zinc/45/82/25/840458225.db2.gz WJTZQDVDTYCSLS-RBSFLKMASA-N 2 1 355.483 -0.396 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183581914 840457919 /nfs/dbraw/zinc/45/79/19/840457919.db2.gz PAERWTDGBQOHEA-RBSFLKMASA-N 2 1 361.508 -0.279 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183581914 840457912 /nfs/dbraw/zinc/45/79/12/840457912.db2.gz PAERWTDGBQOHEA-RBSFLKMASA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)O1 ZINC001183591236 840460051 /nfs/dbraw/zinc/46/00/51/840460051.db2.gz IABQPXVUNQFGCJ-JHJVBQTASA-N 2 1 351.407 -0.477 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)O1 ZINC001183591236 840460047 /nfs/dbraw/zinc/46/00/47/840460047.db2.gz IABQPXVUNQFGCJ-JHJVBQTASA-N 2 1 351.407 -0.477 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001183591270 840459627 /nfs/dbraw/zinc/45/96/27/840459627.db2.gz ISUWEZARFRZSIB-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001183591270 840459618 /nfs/dbraw/zinc/45/96/18/840459618.db2.gz ISUWEZARFRZSIB-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001183592290 840460138 /nfs/dbraw/zinc/46/01/38/840460138.db2.gz QIFZNKBZGSGDTI-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001183592290 840460133 /nfs/dbraw/zinc/46/01/33/840460133.db2.gz QIFZNKBZGSGDTI-BZUAXINKSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+]1CCN(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001183695981 840462129 /nfs/dbraw/zinc/46/21/29/840462129.db2.gz ZUMLSASWVZSBKD-UHFFFAOYSA-N 2 1 353.511 -0.853 20 0 FBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001185240666 840488395 /nfs/dbraw/zinc/48/83/95/840488395.db2.gz JUVRIYFHZDFTAP-AWEZNQCLSA-N 2 1 354.411 -0.856 20 0 FBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001185240666 840488358 /nfs/dbraw/zinc/48/83/58/840488358.db2.gz JUVRIYFHZDFTAP-AWEZNQCLSA-N 2 1 354.411 -0.856 20 0 FBADMP CNC(=O)C[NH+]1CCCC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185250303 840488547 /nfs/dbraw/zinc/48/85/47/840488547.db2.gz FJRMCUARFJUMHW-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP CNC(=O)C[NH+]1CCCC12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185250305 840488280 /nfs/dbraw/zinc/48/82/80/840488280.db2.gz FJRMCUARFJUMHW-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)CC[C@@H]2C1 ZINC001185254216 840489954 /nfs/dbraw/zinc/48/99/54/840489954.db2.gz ZMENUBYGGXZYOJ-BRWVUGGUSA-N 2 1 354.495 -0.572 20 0 FBADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)CC[C@@H]2C1 ZINC001185254216 840489948 /nfs/dbraw/zinc/48/99/48/840489948.db2.gz ZMENUBYGGXZYOJ-BRWVUGGUSA-N 2 1 354.495 -0.572 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)CC[C@@H]2C1 ZINC001185254216 840489940 /nfs/dbraw/zinc/48/99/40/840489940.db2.gz ZMENUBYGGXZYOJ-BRWVUGGUSA-N 2 1 354.495 -0.572 20 0 FBADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)CC[C@@H]2C1 ZINC001185254224 840490137 /nfs/dbraw/zinc/49/01/37/840490137.db2.gz ZMENUBYGGXZYOJ-IXDOHACOSA-N 2 1 354.495 -0.572 20 0 FBADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)CC[C@@H]2C1 ZINC001185254224 840490131 /nfs/dbraw/zinc/49/01/31/840490131.db2.gz ZMENUBYGGXZYOJ-IXDOHACOSA-N 2 1 354.495 -0.572 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC[C@@H]2C1 ZINC001185254224 840490122 /nfs/dbraw/zinc/49/01/22/840490122.db2.gz ZMENUBYGGXZYOJ-IXDOHACOSA-N 2 1 354.495 -0.572 20 0 FBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001185266851 840490785 /nfs/dbraw/zinc/49/07/85/840490785.db2.gz HUEMIWWRRMQVIO-AWEZNQCLSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001185266851 840490780 /nfs/dbraw/zinc/49/07/80/840490780.db2.gz HUEMIWWRRMQVIO-AWEZNQCLSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C ZINC001185266851 840490778 /nfs/dbraw/zinc/49/07/78/840490778.db2.gz HUEMIWWRRMQVIO-AWEZNQCLSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001185266852 840489818 /nfs/dbraw/zinc/48/98/18/840489818.db2.gz HUEMIWWRRMQVIO-CQSZACIVSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001185266852 840489811 /nfs/dbraw/zinc/48/98/11/840489811.db2.gz HUEMIWWRRMQVIO-CQSZACIVSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C ZINC001185266852 840489802 /nfs/dbraw/zinc/48/98/02/840489802.db2.gz HUEMIWWRRMQVIO-CQSZACIVSA-N 2 1 357.499 -0.195 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001185266909 840490305 /nfs/dbraw/zinc/49/03/05/840490305.db2.gz JDBJMYLJHUIMOH-GFCCVEGCSA-N 2 1 356.268 -0.004 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001185266910 840490663 /nfs/dbraw/zinc/49/06/63/840490663.db2.gz JDBJMYLJHUIMOH-LBPRGKRZSA-N 2 1 356.268 -0.004 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186038921 840513713 /nfs/dbraw/zinc/51/37/13/840513713.db2.gz SZTSWQSBBAEKTN-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186038922 840513682 /nfs/dbraw/zinc/51/36/82/840513682.db2.gz SZTSWQSBBAEKTN-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001186106506 840515456 /nfs/dbraw/zinc/51/54/56/840515456.db2.gz PAUJZRYONMISJW-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CCOC(=O)CC1([NH3+])CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC001186118911 840515849 /nfs/dbraw/zinc/51/58/49/840515849.db2.gz KTPXHLXQURPMIA-ZDUSSCGKSA-N 2 1 355.435 -0.246 20 0 FBADMP C[N@H+]1CCC[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001186353624 840518213 /nfs/dbraw/zinc/51/82/13/840518213.db2.gz LGLPKEHFYFCFAU-NSHDSACASA-N 2 1 356.448 -0.050 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186372518 840518811 /nfs/dbraw/zinc/51/88/11/840518811.db2.gz ANZCAASQUCSCGA-QLFBSQMISA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186372519 840518836 /nfs/dbraw/zinc/51/88/36/840518836.db2.gz ANZCAASQUCSCGA-RBSFLKMASA-N 2 1 352.479 -0.343 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)O1 ZINC001186410390 840519217 /nfs/dbraw/zinc/51/92/17/840519217.db2.gz UQOZOQKUCHTXDH-BZUAXINKSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)O1 ZINC001186410390 840519204 /nfs/dbraw/zinc/51/92/04/840519204.db2.gz UQOZOQKUCHTXDH-BZUAXINKSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)O1 ZINC001186410391 840519452 /nfs/dbraw/zinc/51/94/52/840519452.db2.gz UQOZOQKUCHTXDH-OWCLPIDISA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)O1 ZINC001186410391 840519439 /nfs/dbraw/zinc/51/94/39/840519439.db2.gz UQOZOQKUCHTXDH-OWCLPIDISA-N 2 1 355.479 -0.457 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303944 840559550 /nfs/dbraw/zinc/55/95/50/840559550.db2.gz ANZRHLCZPSPWKN-RRFJBIMHSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303944 840559547 /nfs/dbraw/zinc/55/95/47/840559547.db2.gz ANZRHLCZPSPWKN-RRFJBIMHSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303944 840559539 /nfs/dbraw/zinc/55/95/39/840559539.db2.gz ANZRHLCZPSPWKN-RRFJBIMHSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303944 840559535 /nfs/dbraw/zinc/55/95/35/840559535.db2.gz ANZRHLCZPSPWKN-RRFJBIMHSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303945 840559294 /nfs/dbraw/zinc/55/92/94/840559294.db2.gz ANZRHLCZPSPWKN-SOUVJXGZSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303945 840559288 /nfs/dbraw/zinc/55/92/88/840559288.db2.gz ANZRHLCZPSPWKN-SOUVJXGZSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303945 840559282 /nfs/dbraw/zinc/55/92/82/840559282.db2.gz ANZRHLCZPSPWKN-SOUVJXGZSA-N 2 1 358.508 -0.495 20 0 FBADMP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303945 840559274 /nfs/dbraw/zinc/55/92/74/840559274.db2.gz ANZRHLCZPSPWKN-SOUVJXGZSA-N 2 1 358.508 -0.495 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305288 840559354 /nfs/dbraw/zinc/55/93/54/840559354.db2.gz UOERFWWUUQOUPE-GVDBMIGSSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305288 840559347 /nfs/dbraw/zinc/55/93/47/840559347.db2.gz UOERFWWUUQOUPE-GVDBMIGSSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305288 840559339 /nfs/dbraw/zinc/55/93/39/840559339.db2.gz UOERFWWUUQOUPE-GVDBMIGSSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305289 840558740 /nfs/dbraw/zinc/55/87/40/840558740.db2.gz UOERFWWUUQOUPE-YESZJQIVSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305289 840558734 /nfs/dbraw/zinc/55/87/34/840558734.db2.gz UOERFWWUUQOUPE-YESZJQIVSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305289 840558729 /nfs/dbraw/zinc/55/87/29/840558729.db2.gz UOERFWWUUQOUPE-YESZJQIVSA-N 2 1 352.479 -0.234 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944619 840594739 /nfs/dbraw/zinc/59/47/39/840594739.db2.gz KXMHDFZOOCQLOC-ARFHVFGLSA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944619 840594735 /nfs/dbraw/zinc/59/47/35/840594735.db2.gz KXMHDFZOOCQLOC-ARFHVFGLSA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944620 840594490 /nfs/dbraw/zinc/59/44/90/840594490.db2.gz KXMHDFZOOCQLOC-HRCADAONSA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944620 840594483 /nfs/dbraw/zinc/59/44/83/840594483.db2.gz KXMHDFZOOCQLOC-HRCADAONSA-N 2 1 370.519 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187957983 840596380 /nfs/dbraw/zinc/59/63/80/840596380.db2.gz AWVLLSAHXYMGDL-LXTVHRRPSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187957983 840596372 /nfs/dbraw/zinc/59/63/72/840596372.db2.gz AWVLLSAHXYMGDL-LXTVHRRPSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187957983 840596365 /nfs/dbraw/zinc/59/63/65/840596365.db2.gz AWVLLSAHXYMGDL-LXTVHRRPSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187957983 840596362 /nfs/dbraw/zinc/59/63/62/840596362.db2.gz AWVLLSAHXYMGDL-LXTVHRRPSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187958012 840596402 /nfs/dbraw/zinc/59/64/02/840596402.db2.gz DSHZWOBHZKHZKG-QKPAOTATSA-N 2 1 372.535 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187958012 840596397 /nfs/dbraw/zinc/59/63/97/840596397.db2.gz DSHZWOBHZKHZKG-QKPAOTATSA-N 2 1 372.535 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187958012 840596392 /nfs/dbraw/zinc/59/63/92/840596392.db2.gz DSHZWOBHZKHZKG-QKPAOTATSA-N 2 1 372.535 -0.249 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958205 840595653 /nfs/dbraw/zinc/59/56/53/840595653.db2.gz KDVDNAJRBIRXHX-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958205 840595643 /nfs/dbraw/zinc/59/56/43/840595643.db2.gz KDVDNAJRBIRXHX-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958205 840595633 /nfs/dbraw/zinc/59/56/33/840595633.db2.gz KDVDNAJRBIRXHX-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958205 840595623 /nfs/dbraw/zinc/59/56/23/840595623.db2.gz KDVDNAJRBIRXHX-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958247 840596043 /nfs/dbraw/zinc/59/60/43/840596043.db2.gz NCTSROMKGQMGRX-XJFOESAGSA-N 2 1 351.451 -0.685 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958247 840596037 /nfs/dbraw/zinc/59/60/37/840596037.db2.gz NCTSROMKGQMGRX-XJFOESAGSA-N 2 1 351.451 -0.685 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958247 840596030 /nfs/dbraw/zinc/59/60/30/840596030.db2.gz NCTSROMKGQMGRX-XJFOESAGSA-N 2 1 351.451 -0.685 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958247 840596019 /nfs/dbraw/zinc/59/60/19/840596019.db2.gz NCTSROMKGQMGRX-XJFOESAGSA-N 2 1 351.451 -0.685 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001187971139 840596490 /nfs/dbraw/zinc/59/64/90/840596490.db2.gz BTZSHGGLHXOPSR-IGQOVBAYSA-N 2 1 351.451 -0.556 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001187971139 840596481 /nfs/dbraw/zinc/59/64/81/840596481.db2.gz BTZSHGGLHXOPSR-IGQOVBAYSA-N 2 1 351.451 -0.556 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001187971139 840596478 /nfs/dbraw/zinc/59/64/78/840596478.db2.gz BTZSHGGLHXOPSR-IGQOVBAYSA-N 2 1 351.451 -0.556 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971139 840596474 /nfs/dbraw/zinc/59/64/74/840596474.db2.gz BTZSHGGLHXOPSR-IGQOVBAYSA-N 2 1 351.451 -0.556 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971809 840596106 /nfs/dbraw/zinc/59/61/06/840596106.db2.gz YIJWHIILIXUEQD-CAOSSQGBSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971809 840596098 /nfs/dbraw/zinc/59/60/98/840596098.db2.gz YIJWHIILIXUEQD-CAOSSQGBSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187971809 840596091 /nfs/dbraw/zinc/59/60/91/840596091.db2.gz YIJWHIILIXUEQD-CAOSSQGBSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971809 840596081 /nfs/dbraw/zinc/59/60/81/840596081.db2.gz YIJWHIILIXUEQD-CAOSSQGBSA-N 2 1 372.535 -0.201 20 0 FBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212090 840613628 /nfs/dbraw/zinc/61/36/28/840613628.db2.gz CXHXCCPUWJCLQB-DZGCQCFKSA-N 2 1 358.508 -0.447 20 0 FBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212090 840613622 /nfs/dbraw/zinc/61/36/22/840613622.db2.gz CXHXCCPUWJCLQB-DZGCQCFKSA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212090 840613618 /nfs/dbraw/zinc/61/36/18/840613618.db2.gz CXHXCCPUWJCLQB-DZGCQCFKSA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212090 840613611 /nfs/dbraw/zinc/61/36/11/840613611.db2.gz CXHXCCPUWJCLQB-DZGCQCFKSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219556 840613512 /nfs/dbraw/zinc/61/35/12/840613512.db2.gz SQEVCMOVYPRQKZ-MBNYWOFBSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219556 840613507 /nfs/dbraw/zinc/61/35/07/840613507.db2.gz SQEVCMOVYPRQKZ-MBNYWOFBSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219556 840613502 /nfs/dbraw/zinc/61/35/02/840613502.db2.gz SQEVCMOVYPRQKZ-MBNYWOFBSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219556 840613499 /nfs/dbraw/zinc/61/34/99/840613499.db2.gz SQEVCMOVYPRQKZ-MBNYWOFBSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219557 840613795 /nfs/dbraw/zinc/61/37/95/840613795.db2.gz SQEVCMOVYPRQKZ-SGMGOOAPSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219557 840613789 /nfs/dbraw/zinc/61/37/89/840613789.db2.gz SQEVCMOVYPRQKZ-SGMGOOAPSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219557 840613783 /nfs/dbraw/zinc/61/37/83/840613783.db2.gz SQEVCMOVYPRQKZ-SGMGOOAPSA-N 2 1 351.451 -0.413 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219557 840613774 /nfs/dbraw/zinc/61/37/74/840613774.db2.gz SQEVCMOVYPRQKZ-SGMGOOAPSA-N 2 1 351.451 -0.413 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247260 840613874 /nfs/dbraw/zinc/61/38/74/840613874.db2.gz UZJXBPNCSVXNHO-BFHYXJOUSA-N 2 1 351.451 -0.412 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247260 840613868 /nfs/dbraw/zinc/61/38/68/840613868.db2.gz UZJXBPNCSVXNHO-BFHYXJOUSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247260 840613862 /nfs/dbraw/zinc/61/38/62/840613862.db2.gz UZJXBPNCSVXNHO-BFHYXJOUSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247260 840613858 /nfs/dbraw/zinc/61/38/58/840613858.db2.gz UZJXBPNCSVXNHO-BFHYXJOUSA-N 2 1 351.451 -0.412 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247261 840613346 /nfs/dbraw/zinc/61/33/46/840613346.db2.gz UZJXBPNCSVXNHO-MELADBBJSA-N 2 1 351.451 -0.412 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247261 840613342 /nfs/dbraw/zinc/61/33/42/840613342.db2.gz UZJXBPNCSVXNHO-MELADBBJSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247261 840613336 /nfs/dbraw/zinc/61/33/36/840613336.db2.gz UZJXBPNCSVXNHO-MELADBBJSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188247261 840613332 /nfs/dbraw/zinc/61/33/32/840613332.db2.gz UZJXBPNCSVXNHO-MELADBBJSA-N 2 1 351.451 -0.412 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001188315367 840617830 /nfs/dbraw/zinc/61/78/30/840617830.db2.gz WKUJDQOTRVTRLI-RRFJBIMHSA-N 2 1 360.524 -0.249 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001188315367 840617824 /nfs/dbraw/zinc/61/78/24/840617824.db2.gz WKUJDQOTRVTRLI-RRFJBIMHSA-N 2 1 360.524 -0.249 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322731 840618082 /nfs/dbraw/zinc/61/80/82/840618082.db2.gz LSDXHUJVXQEJJY-YYIAUSFCSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322731 840618080 /nfs/dbraw/zinc/61/80/80/840618080.db2.gz LSDXHUJVXQEJJY-YYIAUSFCSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322731 840618074 /nfs/dbraw/zinc/61/80/74/840618074.db2.gz LSDXHUJVXQEJJY-YYIAUSFCSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322731 840618069 /nfs/dbraw/zinc/61/80/69/840618069.db2.gz LSDXHUJVXQEJJY-YYIAUSFCSA-N 2 1 355.479 -0.099 20 0 FBADMP CN(CCN1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1)S(C)(=O)=O ZINC001188714888 840645235 /nfs/dbraw/zinc/64/52/35/840645235.db2.gz KEUJKOHNJAMPHP-LSDHHAIUSA-N 2 1 369.491 -0.303 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001188723897 840645185 /nfs/dbraw/zinc/64/51/85/840645185.db2.gz HTEVQTKRZFUGIU-UONOGXRCSA-N 2 1 355.464 -0.645 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001188724186 840644988 /nfs/dbraw/zinc/64/49/88/840644988.db2.gz OENTUGQEGZDCHV-LSDHHAIUSA-N 2 1 369.491 -0.255 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188925909 840653659 /nfs/dbraw/zinc/65/36/59/840653659.db2.gz JMKSJYIMQOLHDQ-BBWFWOEESA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188925909 840653653 /nfs/dbraw/zinc/65/36/53/840653653.db2.gz JMKSJYIMQOLHDQ-BBWFWOEESA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188925909 840653649 /nfs/dbraw/zinc/65/36/49/840653649.db2.gz JMKSJYIMQOLHDQ-BBWFWOEESA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188925909 840653644 /nfs/dbraw/zinc/65/36/44/840653644.db2.gz JMKSJYIMQOLHDQ-BBWFWOEESA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188925910 840654284 /nfs/dbraw/zinc/65/42/84/840654284.db2.gz JMKSJYIMQOLHDQ-GVDBMIGSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188925910 840654279 /nfs/dbraw/zinc/65/42/79/840654279.db2.gz JMKSJYIMQOLHDQ-GVDBMIGSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188925910 840654271 /nfs/dbraw/zinc/65/42/71/840654271.db2.gz JMKSJYIMQOLHDQ-GVDBMIGSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188925910 840654265 /nfs/dbraw/zinc/65/42/65/840654265.db2.gz JMKSJYIMQOLHDQ-GVDBMIGSSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001188931610 840654061 /nfs/dbraw/zinc/65/40/61/840654061.db2.gz HBPRGWBBPXRMTR-XDQVBPFNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001188931610 840654057 /nfs/dbraw/zinc/65/40/57/840654057.db2.gz HBPRGWBBPXRMTR-XDQVBPFNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001188931610 840654051 /nfs/dbraw/zinc/65/40/51/840654051.db2.gz HBPRGWBBPXRMTR-XDQVBPFNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001188931610 840654041 /nfs/dbraw/zinc/65/40/41/840654041.db2.gz HBPRGWBBPXRMTR-XDQVBPFNSA-N 2 1 351.451 -0.556 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963175 840655309 /nfs/dbraw/zinc/65/53/09/840655309.db2.gz LCTUNMPVWCENAM-QWHCGFSZSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963175 840655307 /nfs/dbraw/zinc/65/53/07/840655307.db2.gz LCTUNMPVWCENAM-QWHCGFSZSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963794 840655702 /nfs/dbraw/zinc/65/57/02/840655702.db2.gz RYLDYKSYRHQSQS-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963794 840655697 /nfs/dbraw/zinc/65/56/97/840655697.db2.gz RYLDYKSYRHQSQS-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963796 840655732 /nfs/dbraw/zinc/65/57/32/840655732.db2.gz RYLDYKSYRHQSQS-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963796 840655726 /nfs/dbraw/zinc/65/57/26/840655726.db2.gz RYLDYKSYRHQSQS-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001188970283 840655183 /nfs/dbraw/zinc/65/51/83/840655183.db2.gz GCSXUSYUKVJUQP-UONOGXRCSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001188970283 840655180 /nfs/dbraw/zinc/65/51/80/840655180.db2.gz GCSXUSYUKVJUQP-UONOGXRCSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970334 840655890 /nfs/dbraw/zinc/65/58/90/840655890.db2.gz GLPGSGJBASSMFM-FRRDWIJNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970334 840655885 /nfs/dbraw/zinc/65/58/85/840655885.db2.gz GLPGSGJBASSMFM-FRRDWIJNSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970336 840655321 /nfs/dbraw/zinc/65/53/21/840655321.db2.gz GLPGSGJBASSMFM-RWMBFGLXSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970336 840655319 /nfs/dbraw/zinc/65/53/19/840655319.db2.gz GLPGSGJBASSMFM-RWMBFGLXSA-N 2 1 351.451 -0.556 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979547 840658387 /nfs/dbraw/zinc/65/83/87/840658387.db2.gz QDAXKKRCQXVBTD-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979547 840658385 /nfs/dbraw/zinc/65/83/85/840658385.db2.gz QDAXKKRCQXVBTD-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001188979851 840658885 /nfs/dbraw/zinc/65/88/85/840658885.db2.gz WJERUUGOAIRZAM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001188979851 840658875 /nfs/dbraw/zinc/65/88/75/840658875.db2.gz WJERUUGOAIRZAM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985478 840655127 /nfs/dbraw/zinc/65/51/27/840655127.db2.gz GUUVKEYLHRXUFN-GVDBMIGSSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985479 840655239 /nfs/dbraw/zinc/65/52/39/840655239.db2.gz GUUVKEYLHRXUFN-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001188985925 840655832 /nfs/dbraw/zinc/65/58/32/840655832.db2.gz WYONJMCSMPACSD-UONOGXRCSA-N 2 1 351.451 -0.587 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985970 840655400 /nfs/dbraw/zinc/65/54/00/840655400.db2.gz ZAIKVFJEWVRBEB-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985970 840655396 /nfs/dbraw/zinc/65/53/96/840655396.db2.gz ZAIKVFJEWVRBEB-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189017985 840658408 /nfs/dbraw/zinc/65/84/08/840658408.db2.gz CLOFDSDIXFXRFY-UONOGXRCSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189017985 840658404 /nfs/dbraw/zinc/65/84/04/840658404.db2.gz CLOFDSDIXFXRFY-UONOGXRCSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034165 840659130 /nfs/dbraw/zinc/65/91/30/840659130.db2.gz BJKZYXJQZAMSCY-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034165 840659125 /nfs/dbraw/zinc/65/91/25/840659125.db2.gz BJKZYXJQZAMSCY-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034166 840658400 /nfs/dbraw/zinc/65/84/00/840658400.db2.gz BJKZYXJQZAMSCY-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034166 840658395 /nfs/dbraw/zinc/65/83/95/840658395.db2.gz BJKZYXJQZAMSCY-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189034259 840658722 /nfs/dbraw/zinc/65/87/22/840658722.db2.gz DSVMPGYVENRGIN-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189034259 840658713 /nfs/dbraw/zinc/65/87/13/840658713.db2.gz DSVMPGYVENRGIN-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034265 840658335 /nfs/dbraw/zinc/65/83/35/840658335.db2.gz FCHBAVSGHIWISI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034265 840658333 /nfs/dbraw/zinc/65/83/33/840658333.db2.gz FCHBAVSGHIWISI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034968 840659906 /nfs/dbraw/zinc/65/99/06/840659906.db2.gz RPLSOWDTMUDTPE-FPMFFAJLSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034968 840659904 /nfs/dbraw/zinc/65/99/04/840659904.db2.gz RPLSOWDTMUDTPE-FPMFFAJLSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034971 840659500 /nfs/dbraw/zinc/65/95/00/840659500.db2.gz RPLSOWDTMUDTPE-KWCYVHTRSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034971 840659491 /nfs/dbraw/zinc/65/94/91/840659491.db2.gz RPLSOWDTMUDTPE-KWCYVHTRSA-N 2 1 351.451 -0.556 20 0 FBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001189035227 840660073 /nfs/dbraw/zinc/66/00/73/840660073.db2.gz SURQGKNVHCLUDR-LSDHHAIUSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001189035227 840660070 /nfs/dbraw/zinc/66/00/70/840660070.db2.gz SURQGKNVHCLUDR-LSDHHAIUSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001189040934 840660165 /nfs/dbraw/zinc/66/01/65/840660165.db2.gz KCVPZLPKJWFMGY-GXTWGEPZSA-N 2 1 351.451 -0.541 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001189040934 840660159 /nfs/dbraw/zinc/66/01/59/840660159.db2.gz KCVPZLPKJWFMGY-GXTWGEPZSA-N 2 1 351.451 -0.541 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189041257 840659549 /nfs/dbraw/zinc/65/95/49/840659549.db2.gz QUFVDMZRVMGMPE-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189041257 840659545 /nfs/dbraw/zinc/65/95/45/840659545.db2.gz QUFVDMZRVMGMPE-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189041258 840660242 /nfs/dbraw/zinc/66/02/42/840660242.db2.gz QUFVDMZRVMGMPE-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189041258 840660237 /nfs/dbraw/zinc/66/02/37/840660237.db2.gz QUFVDMZRVMGMPE-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001189054316 840659722 /nfs/dbraw/zinc/65/97/22/840659722.db2.gz CMJWKCXPPFMKCV-UONOGXRCSA-N 2 1 351.451 -0.587 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001189054653 840659937 /nfs/dbraw/zinc/65/99/37/840659937.db2.gz JFMHKSCWWQOYID-LSDHHAIUSA-N 2 1 358.508 -0.494 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054853 840659820 /nfs/dbraw/zinc/65/98/20/840659820.db2.gz KGEVDBPTBWXGHR-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055021 840659800 /nfs/dbraw/zinc/65/98/00/840659800.db2.gz MSEDOMILAXDYLG-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001189055049 840660277 /nfs/dbraw/zinc/66/02/77/840660277.db2.gz NLYZKYSZBIHMAL-HRCADAONSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001189055050 840659591 /nfs/dbraw/zinc/65/95/91/840659591.db2.gz NMHKIZBNMUPGEJ-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001189055050 840659587 /nfs/dbraw/zinc/65/95/87/840659587.db2.gz NMHKIZBNMUPGEJ-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001189055052 840660037 /nfs/dbraw/zinc/66/00/37/840660037.db2.gz NMHKIZBNMUPGEJ-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001189055052 840660030 /nfs/dbraw/zinc/66/00/30/840660030.db2.gz NMHKIZBNMUPGEJ-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189055463 840659691 /nfs/dbraw/zinc/65/96/91/840659691.db2.gz VJORLFUMGRQMGA-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189055463 840659686 /nfs/dbraw/zinc/65/96/86/840659686.db2.gz VJORLFUMGRQMGA-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189055464 840660107 /nfs/dbraw/zinc/66/01/07/840660107.db2.gz VJORLFUMGRQMGA-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189055464 840660104 /nfs/dbraw/zinc/66/01/04/840660104.db2.gz VJORLFUMGRQMGA-OWCLPIDISA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001189109676 840660925 /nfs/dbraw/zinc/66/09/25/840660925.db2.gz CMDUZTFYYQXUTP-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001189109676 840660920 /nfs/dbraw/zinc/66/09/20/840660920.db2.gz CMDUZTFYYQXUTP-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001189109678 840661825 /nfs/dbraw/zinc/66/18/25/840661825.db2.gz CMDUZTFYYQXUTP-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001189109678 840661818 /nfs/dbraw/zinc/66/18/18/840661818.db2.gz CMDUZTFYYQXUTP-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117012 840661695 /nfs/dbraw/zinc/66/16/95/840661695.db2.gz COBFCWRQMRLGDQ-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117012 840661688 /nfs/dbraw/zinc/66/16/88/840661688.db2.gz COBFCWRQMRLGDQ-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117012 840661681 /nfs/dbraw/zinc/66/16/81/840661681.db2.gz COBFCWRQMRLGDQ-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117012 840661677 /nfs/dbraw/zinc/66/16/77/840661677.db2.gz COBFCWRQMRLGDQ-QLFBSQMISA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117013 840661511 /nfs/dbraw/zinc/66/15/11/840661511.db2.gz COBFCWRQMRLGDQ-SOUVJXGZSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117013 840661504 /nfs/dbraw/zinc/66/15/04/840661504.db2.gz COBFCWRQMRLGDQ-SOUVJXGZSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117013 840661499 /nfs/dbraw/zinc/66/14/99/840661499.db2.gz COBFCWRQMRLGDQ-SOUVJXGZSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189117013 840661492 /nfs/dbraw/zinc/66/14/92/840661492.db2.gz COBFCWRQMRLGDQ-SOUVJXGZSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127295 840663666 /nfs/dbraw/zinc/66/36/66/840663666.db2.gz SBTNEXYRUBNKLF-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127295 840663661 /nfs/dbraw/zinc/66/36/61/840663661.db2.gz SBTNEXYRUBNKLF-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127295 840663658 /nfs/dbraw/zinc/66/36/58/840663658.db2.gz SBTNEXYRUBNKLF-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127295 840663652 /nfs/dbraw/zinc/66/36/52/840663652.db2.gz SBTNEXYRUBNKLF-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127296 840664220 /nfs/dbraw/zinc/66/42/20/840664220.db2.gz SBTNEXYRUBNKLF-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127296 840664213 /nfs/dbraw/zinc/66/42/13/840664213.db2.gz SBTNEXYRUBNKLF-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127296 840664209 /nfs/dbraw/zinc/66/42/09/840664209.db2.gz SBTNEXYRUBNKLF-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189127296 840664205 /nfs/dbraw/zinc/66/42/05/840664205.db2.gz SBTNEXYRUBNKLF-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001189151957 840666927 /nfs/dbraw/zinc/66/69/27/840666927.db2.gz WKUJDQOTRVTRLI-SOUVJXGZSA-N 2 1 360.524 -0.249 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001189151957 840666924 /nfs/dbraw/zinc/66/69/24/840666924.db2.gz WKUJDQOTRVTRLI-SOUVJXGZSA-N 2 1 360.524 -0.249 20 0 FBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)CC(C)(C)C ZINC001189159849 840666434 /nfs/dbraw/zinc/66/64/34/840666434.db2.gz NZHPUHIYLHWKNZ-QWHCGFSZSA-N 2 1 353.467 -0.308 20 0 FBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)CC(C)(C)C ZINC001189159849 840666427 /nfs/dbraw/zinc/66/64/27/840666427.db2.gz NZHPUHIYLHWKNZ-QWHCGFSZSA-N 2 1 353.467 -0.308 20 0 FBADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21)CC(C)(C)C ZINC001189159849 840666424 /nfs/dbraw/zinc/66/64/24/840666424.db2.gz NZHPUHIYLHWKNZ-QWHCGFSZSA-N 2 1 353.467 -0.308 20 0 FBADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21)CC(C)(C)C ZINC001189159849 840666417 /nfs/dbraw/zinc/66/64/17/840666417.db2.gz NZHPUHIYLHWKNZ-QWHCGFSZSA-N 2 1 353.467 -0.308 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182277 840666816 /nfs/dbraw/zinc/66/68/16/840666816.db2.gz SAJXGSGVDYDTTL-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182277 840666814 /nfs/dbraw/zinc/66/68/14/840666814.db2.gz SAJXGSGVDYDTTL-HRCADAONSA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182281 840666940 /nfs/dbraw/zinc/66/69/40/840666940.db2.gz SAJXGSGVDYDTTL-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182281 840666935 /nfs/dbraw/zinc/66/69/35/840666935.db2.gz SAJXGSGVDYDTTL-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425058 840680584 /nfs/dbraw/zinc/68/05/84/840680584.db2.gz JRQPRLXVQMTFCJ-DLBZAZTESA-N 2 1 355.479 -0.096 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425058 840680573 /nfs/dbraw/zinc/68/05/73/840680573.db2.gz JRQPRLXVQMTFCJ-DLBZAZTESA-N 2 1 355.479 -0.096 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189471521 840681985 /nfs/dbraw/zinc/68/19/85/840681985.db2.gz VFWHOUQADFNHDB-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189471521 840681982 /nfs/dbraw/zinc/68/19/82/840681982.db2.gz VFWHOUQADFNHDB-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189471962 840681786 /nfs/dbraw/zinc/68/17/86/840681786.db2.gz YATXYDAUJXGDNJ-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189471962 840681777 /nfs/dbraw/zinc/68/17/77/840681777.db2.gz YATXYDAUJXGDNJ-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001189476904 840682968 /nfs/dbraw/zinc/68/29/68/840682968.db2.gz AJNKAMJCALZTOZ-UONOGXRCSA-N 2 1 351.451 -0.587 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189477079 840683437 /nfs/dbraw/zinc/68/34/37/840683437.db2.gz CNKBCICDSNDCPX-GVDBMIGSSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189477090 840683348 /nfs/dbraw/zinc/68/33/48/840683348.db2.gz CNKBCICDSNDCPX-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001189479074 840683097 /nfs/dbraw/zinc/68/30/97/840683097.db2.gz XRBPVBPFSLCTGQ-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001189479074 840683093 /nfs/dbraw/zinc/68/30/93/840683093.db2.gz XRBPVBPFSLCTGQ-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189484083 840686193 /nfs/dbraw/zinc/68/61/93/840686193.db2.gz BKXNZEJKKYZQPJ-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189484083 840686187 /nfs/dbraw/zinc/68/61/87/840686187.db2.gz BKXNZEJKKYZQPJ-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189484084 840686639 /nfs/dbraw/zinc/68/66/39/840686639.db2.gz BKXNZEJKKYZQPJ-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189484084 840686635 /nfs/dbraw/zinc/68/66/35/840686635.db2.gz BKXNZEJKKYZQPJ-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001189543302 840686052 /nfs/dbraw/zinc/68/60/52/840686052.db2.gz FBKIPDQWCMGQTL-DOTOQJQBSA-N 2 1 355.479 -0.361 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544223 840686020 /nfs/dbraw/zinc/68/60/20/840686020.db2.gz NBVOFTQYYJZRMR-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544223 840686014 /nfs/dbraw/zinc/68/60/14/840686014.db2.gz NBVOFTQYYJZRMR-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545001 840686662 /nfs/dbraw/zinc/68/66/62/840686662.db2.gz XDUBIUPXRXRPBF-YQQAZPJKSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545005 840685785 /nfs/dbraw/zinc/68/57/85/840685785.db2.gz XDUBIUPXRXRPBF-ZMSDIMECSA-N 2 1 355.479 -0.363 20 0 FBADMP COc1cc(S(N)(=O)=O)cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1OC ZINC001189569840 840689903 /nfs/dbraw/zinc/68/99/03/840689903.db2.gz PMYODKXXOKPZTH-UHFFFAOYSA-N 2 1 373.435 -0.574 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694264 /nfs/dbraw/zinc/69/42/64/840694264.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694256 /nfs/dbraw/zinc/69/42/56/840694256.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694250 /nfs/dbraw/zinc/69/42/50/840694250.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694240 /nfs/dbraw/zinc/69/42/40/840694240.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694233 /nfs/dbraw/zinc/69/42/33/840694233.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189660133 840694132 /nfs/dbraw/zinc/69/41/32/840694132.db2.gz OYLHWAPEEDOMAM-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660451 840694699 /nfs/dbraw/zinc/69/46/99/840694699.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660451 840694694 /nfs/dbraw/zinc/69/46/94/840694694.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660451 840694691 /nfs/dbraw/zinc/69/46/91/840694691.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660451 840694683 /nfs/dbraw/zinc/69/46/83/840694683.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660451 840694678 /nfs/dbraw/zinc/69/46/78/840694678.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786259 840698646 /nfs/dbraw/zinc/69/86/46/840698646.db2.gz BRAKSGRHPBPPJY-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786259 840698640 /nfs/dbraw/zinc/69/86/40/840698640.db2.gz BRAKSGRHPBPPJY-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786259 840698637 /nfs/dbraw/zinc/69/86/37/840698637.db2.gz BRAKSGRHPBPPJY-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786259 840698630 /nfs/dbraw/zinc/69/86/30/840698630.db2.gz BRAKSGRHPBPPJY-QLFBSQMISA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786263 840698857 /nfs/dbraw/zinc/69/88/57/840698857.db2.gz BRAKSGRHPBPPJY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786263 840698852 /nfs/dbraw/zinc/69/88/52/840698852.db2.gz BRAKSGRHPBPPJY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786263 840698849 /nfs/dbraw/zinc/69/88/49/840698849.db2.gz BRAKSGRHPBPPJY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001189786263 840698843 /nfs/dbraw/zinc/69/88/43/840698843.db2.gz BRAKSGRHPBPPJY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786999 840698544 /nfs/dbraw/zinc/69/85/44/840698544.db2.gz JRBAMXSHYFDDHT-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786999 840698540 /nfs/dbraw/zinc/69/85/40/840698540.db2.gz JRBAMXSHYFDDHT-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786999 840698532 /nfs/dbraw/zinc/69/85/32/840698532.db2.gz JRBAMXSHYFDDHT-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786999 840698528 /nfs/dbraw/zinc/69/85/28/840698528.db2.gz JRBAMXSHYFDDHT-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787000 840698454 /nfs/dbraw/zinc/69/84/54/840698454.db2.gz JRBAMXSHYFDDHT-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787000 840698451 /nfs/dbraw/zinc/69/84/51/840698451.db2.gz JRBAMXSHYFDDHT-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787000 840698446 /nfs/dbraw/zinc/69/84/46/840698446.db2.gz JRBAMXSHYFDDHT-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787000 840698440 /nfs/dbraw/zinc/69/84/40/840698440.db2.gz JRBAMXSHYFDDHT-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801251 840701089 /nfs/dbraw/zinc/70/10/89/840701089.db2.gz CIRYRBWJPMUEEG-UONOGXRCSA-N 2 1 356.492 -0.836 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801251 840701083 /nfs/dbraw/zinc/70/10/83/840701083.db2.gz CIRYRBWJPMUEEG-UONOGXRCSA-N 2 1 356.492 -0.836 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801424 840701170 /nfs/dbraw/zinc/70/11/70/840701170.db2.gz FVKPCYHUHBUXGR-LSDHHAIUSA-N 2 1 370.519 -0.446 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801424 840701167 /nfs/dbraw/zinc/70/11/67/840701167.db2.gz FVKPCYHUHBUXGR-LSDHHAIUSA-N 2 1 370.519 -0.446 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)S(C)(=O)=O ZINC001189801458 840701476 /nfs/dbraw/zinc/70/14/76/840701476.db2.gz GXYZSIXWMNUYMW-LSDHHAIUSA-N 2 1 370.519 -0.494 20 0 FBADMP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)S(C)(=O)=O ZINC001189801458 840701465 /nfs/dbraw/zinc/70/14/65/840701465.db2.gz GXYZSIXWMNUYMW-LSDHHAIUSA-N 2 1 370.519 -0.494 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801774 840700808 /nfs/dbraw/zinc/70/08/08/840700808.db2.gz MFNVLRFVXCFURQ-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801774 840700800 /nfs/dbraw/zinc/70/08/00/840700800.db2.gz MFNVLRFVXCFURQ-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801963 840701121 /nfs/dbraw/zinc/70/11/21/840701121.db2.gz OROCFUBMPNMBSV-JKSUJKDBSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801963 840701114 /nfs/dbraw/zinc/70/11/14/840701114.db2.gz OROCFUBMPNMBSV-JKSUJKDBSA-N 2 1 354.495 -0.036 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189802468 840701310 /nfs/dbraw/zinc/70/13/10/840701310.db2.gz ZUQNKTAMCGYFJZ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189802470 840701421 /nfs/dbraw/zinc/70/14/21/840701421.db2.gz ZUQNKTAMCGYFJZ-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189810614 840699751 /nfs/dbraw/zinc/69/97/51/840699751.db2.gz CPTQRWPPIPMSGG-JKSUJKDBSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810759 840699741 /nfs/dbraw/zinc/69/97/41/840699741.db2.gz FYIVYMNEMULFDQ-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810759 840699735 /nfs/dbraw/zinc/69/97/35/840699735.db2.gz FYIVYMNEMULFDQ-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189810874 840699511 /nfs/dbraw/zinc/69/95/11/840699511.db2.gz KWACFGHGUVGFOB-LSDHHAIUSA-N 2 1 353.467 -0.878 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189810935 840700048 /nfs/dbraw/zinc/70/00/48/840700048.db2.gz NTMCSAYSRSMTIQ-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811004 840699767 /nfs/dbraw/zinc/69/97/67/840699767.db2.gz QQWRZGPKSOLJGJ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811005 840699718 /nfs/dbraw/zinc/69/97/18/840699718.db2.gz QQWRZGPKSOLJGJ-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189820230 840700016 /nfs/dbraw/zinc/70/00/16/840700016.db2.gz XEMZOUVEOAJPNF-LSDHHAIUSA-N 2 1 361.508 -0.468 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189820230 840700011 /nfs/dbraw/zinc/70/00/11/840700011.db2.gz XEMZOUVEOAJPNF-LSDHHAIUSA-N 2 1 361.508 -0.468 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820239 840699568 /nfs/dbraw/zinc/69/95/68/840699568.db2.gz XMZHEICILVPAFS-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820239 840699565 /nfs/dbraw/zinc/69/95/65/840699565.db2.gz XMZHEICILVPAFS-IJEWVQPXSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820240 840700031 /nfs/dbraw/zinc/70/00/31/840700031.db2.gz XMZHEICILVPAFS-OFQRWUPVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820240 840700026 /nfs/dbraw/zinc/70/00/26/840700026.db2.gz XMZHEICILVPAFS-OFQRWUPVSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189870758 840700569 /nfs/dbraw/zinc/70/05/69/840700569.db2.gz FCHVNGOYXPQYFM-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189870758 840700567 /nfs/dbraw/zinc/70/05/67/840700567.db2.gz FCHVNGOYXPQYFM-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871803 840701408 /nfs/dbraw/zinc/70/14/08/840701408.db2.gz RIMRNITYCTWBEG-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871803 840701399 /nfs/dbraw/zinc/70/13/99/840701399.db2.gz RIMRNITYCTWBEG-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871804 840700866 /nfs/dbraw/zinc/70/08/66/840700866.db2.gz RIMRNITYCTWBEG-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871804 840700857 /nfs/dbraw/zinc/70/08/57/840700857.db2.gz RIMRNITYCTWBEG-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872271 840701652 /nfs/dbraw/zinc/70/16/52/840701652.db2.gz XMDZWLKGGNARTE-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872271 840701650 /nfs/dbraw/zinc/70/16/50/840701650.db2.gz XMDZWLKGGNARTE-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705166 /nfs/dbraw/zinc/70/51/66/840705166.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705158 /nfs/dbraw/zinc/70/51/58/840705158.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705151 /nfs/dbraw/zinc/70/51/51/840705151.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705143 /nfs/dbraw/zinc/70/51/43/840705143.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705136 /nfs/dbraw/zinc/70/51/36/840705136.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001189892026 840704633 /nfs/dbraw/zinc/70/46/33/840704633.db2.gz VZFKUDLGRUIZMW-UONOGXRCSA-N 2 1 350.467 -0.127 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001189892026 840704620 /nfs/dbraw/zinc/70/46/20/840704620.db2.gz VZFKUDLGRUIZMW-UONOGXRCSA-N 2 1 350.467 -0.127 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189898299 840704799 /nfs/dbraw/zinc/70/47/99/840704799.db2.gz KDUCCTIOQWSNHK-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189898299 840704787 /nfs/dbraw/zinc/70/47/87/840704787.db2.gz KDUCCTIOQWSNHK-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189898299 840704776 /nfs/dbraw/zinc/70/47/76/840704776.db2.gz KDUCCTIOQWSNHK-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189898299 840704765 /nfs/dbraw/zinc/70/47/65/840704765.db2.gz KDUCCTIOQWSNHK-LSDHHAIUSA-N 2 1 360.524 -0.248 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189899170 840704999 /nfs/dbraw/zinc/70/49/99/840704999.db2.gz ZTZUQXISLKXCHM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189899170 840704988 /nfs/dbraw/zinc/70/49/88/840704988.db2.gz ZTZUQXISLKXCHM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189899170 840704984 /nfs/dbraw/zinc/70/49/84/840704984.db2.gz ZTZUQXISLKXCHM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189899170 840704973 /nfs/dbraw/zinc/70/49/73/840704973.db2.gz ZTZUQXISLKXCHM-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189907039 840703201 /nfs/dbraw/zinc/70/32/01/840703201.db2.gz QYITZBWHWFBYGL-GVDBMIGSSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189907039 840703193 /nfs/dbraw/zinc/70/31/93/840703193.db2.gz QYITZBWHWFBYGL-GVDBMIGSSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189907039 840703187 /nfs/dbraw/zinc/70/31/87/840703187.db2.gz QYITZBWHWFBYGL-GVDBMIGSSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189907040 840703533 /nfs/dbraw/zinc/70/35/33/840703533.db2.gz QYITZBWHWFBYGL-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189907040 840703515 /nfs/dbraw/zinc/70/35/15/840703515.db2.gz QYITZBWHWFBYGL-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189907040 840703509 /nfs/dbraw/zinc/70/35/09/840703509.db2.gz QYITZBWHWFBYGL-YESZJQIVSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001189912836 840703571 /nfs/dbraw/zinc/70/35/71/840703571.db2.gz HSOXNRKAZCIYGU-UONOGXRCSA-N 2 1 351.451 -0.587 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703285 /nfs/dbraw/zinc/70/32/85/840703285.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703280 /nfs/dbraw/zinc/70/32/80/840703280.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703270 /nfs/dbraw/zinc/70/32/70/840703270.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703261 /nfs/dbraw/zinc/70/32/61/840703261.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703254 /nfs/dbraw/zinc/70/32/54/840703254.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001189913451 840704079 /nfs/dbraw/zinc/70/40/79/840704079.db2.gz RCRVGGVOUFGEJL-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001189913451 840704072 /nfs/dbraw/zinc/70/40/72/840704072.db2.gz RCRVGGVOUFGEJL-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001189913451 840704068 /nfs/dbraw/zinc/70/40/68/840704068.db2.gz RCRVGGVOUFGEJL-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]21 ZINC001189913451 840704062 /nfs/dbraw/zinc/70/40/62/840704062.db2.gz RCRVGGVOUFGEJL-LSDHHAIUSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703834 /nfs/dbraw/zinc/70/38/34/840703834.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703826 /nfs/dbraw/zinc/70/38/26/840703826.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703816 /nfs/dbraw/zinc/70/38/16/840703816.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703805 /nfs/dbraw/zinc/70/38/05/840703805.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703796 /nfs/dbraw/zinc/70/37/96/840703796.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703677 /nfs/dbraw/zinc/70/36/77/840703677.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703669 /nfs/dbraw/zinc/70/36/69/840703669.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703664 /nfs/dbraw/zinc/70/36/64/840703664.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703652 /nfs/dbraw/zinc/70/36/52/840703652.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703648 /nfs/dbraw/zinc/70/36/48/840703648.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922681 840703387 /nfs/dbraw/zinc/70/33/87/840703387.db2.gz BMSPMANYJRJIFU-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922681 840703364 /nfs/dbraw/zinc/70/33/64/840703364.db2.gz BMSPMANYJRJIFU-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922681 840703357 /nfs/dbraw/zinc/70/33/57/840703357.db2.gz BMSPMANYJRJIFU-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922681 840703351 /nfs/dbraw/zinc/70/33/51/840703351.db2.gz BMSPMANYJRJIFU-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922683 840703747 /nfs/dbraw/zinc/70/37/47/840703747.db2.gz BMSPMANYJRJIFU-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922683 840703732 /nfs/dbraw/zinc/70/37/32/840703732.db2.gz BMSPMANYJRJIFU-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922683 840703724 /nfs/dbraw/zinc/70/37/24/840703724.db2.gz BMSPMANYJRJIFU-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922683 840703716 /nfs/dbraw/zinc/70/37/16/840703716.db2.gz BMSPMANYJRJIFU-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147911 840715424 /nfs/dbraw/zinc/71/54/24/840715424.db2.gz AXXSLSYPLNOZGF-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190147911 840715415 /nfs/dbraw/zinc/71/54/15/840715415.db2.gz AXXSLSYPLNOZGF-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147911 840715407 /nfs/dbraw/zinc/71/54/07/840715407.db2.gz AXXSLSYPLNOZGF-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147911 840715401 /nfs/dbraw/zinc/71/54/01/840715401.db2.gz AXXSLSYPLNOZGF-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147911 840715390 /nfs/dbraw/zinc/71/53/90/840715390.db2.gz AXXSLSYPLNOZGF-BFHYXJOUSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147914 840715353 /nfs/dbraw/zinc/71/53/53/840715353.db2.gz AXXSLSYPLNOZGF-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190147914 840715344 /nfs/dbraw/zinc/71/53/44/840715344.db2.gz AXXSLSYPLNOZGF-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147914 840715336 /nfs/dbraw/zinc/71/53/36/840715336.db2.gz AXXSLSYPLNOZGF-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147914 840715330 /nfs/dbraw/zinc/71/53/30/840715330.db2.gz AXXSLSYPLNOZGF-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147914 840715320 /nfs/dbraw/zinc/71/53/20/840715320.db2.gz AXXSLSYPLNOZGF-MELADBBJSA-N 2 1 351.451 -0.684 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148824 840715568 /nfs/dbraw/zinc/71/55/68/840715568.db2.gz KDNWIXSVIRPOJY-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148824 840715566 /nfs/dbraw/zinc/71/55/66/840715566.db2.gz KDNWIXSVIRPOJY-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148824 840715563 /nfs/dbraw/zinc/71/55/63/840715563.db2.gz KDNWIXSVIRPOJY-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148824 840715560 /nfs/dbraw/zinc/71/55/60/840715560.db2.gz KDNWIXSVIRPOJY-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148824 840715556 /nfs/dbraw/zinc/71/55/56/840715556.db2.gz KDNWIXSVIRPOJY-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148826 840715271 /nfs/dbraw/zinc/71/52/71/840715271.db2.gz KDNWIXSVIRPOJY-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148826 840715268 /nfs/dbraw/zinc/71/52/68/840715268.db2.gz KDNWIXSVIRPOJY-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148826 840715259 /nfs/dbraw/zinc/71/52/59/840715259.db2.gz KDNWIXSVIRPOJY-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148826 840715248 /nfs/dbraw/zinc/71/52/48/840715248.db2.gz KDNWIXSVIRPOJY-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148826 840715242 /nfs/dbraw/zinc/71/52/42/840715242.db2.gz KDNWIXSVIRPOJY-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148948 840715542 /nfs/dbraw/zinc/71/55/42/840715542.db2.gz MZQIROJESZYLNY-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148948 840715538 /nfs/dbraw/zinc/71/55/38/840715538.db2.gz MZQIROJESZYLNY-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148948 840715533 /nfs/dbraw/zinc/71/55/33/840715533.db2.gz MZQIROJESZYLNY-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148948 840715531 /nfs/dbraw/zinc/71/55/31/840715531.db2.gz MZQIROJESZYLNY-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148948 840715528 /nfs/dbraw/zinc/71/55/28/840715528.db2.gz MZQIROJESZYLNY-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148950 840715869 /nfs/dbraw/zinc/71/58/69/840715869.db2.gz MZQIROJESZYLNY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148950 840715857 /nfs/dbraw/zinc/71/58/57/840715857.db2.gz MZQIROJESZYLNY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148950 840715847 /nfs/dbraw/zinc/71/58/47/840715847.db2.gz MZQIROJESZYLNY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148950 840715837 /nfs/dbraw/zinc/71/58/37/840715837.db2.gz MZQIROJESZYLNY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148950 840715826 /nfs/dbraw/zinc/71/58/26/840715826.db2.gz MZQIROJESZYLNY-SOUVJXGZSA-N 2 1 358.508 -0.590 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149233 840715952 /nfs/dbraw/zinc/71/59/52/840715952.db2.gz VGTROCHYAQULDA-GVDBMIGSSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149233 840715937 /nfs/dbraw/zinc/71/59/37/840715937.db2.gz VGTROCHYAQULDA-GVDBMIGSSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149234 840715705 /nfs/dbraw/zinc/71/57/05/840715705.db2.gz VGTROCHYAQULDA-YESZJQIVSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149234 840715698 /nfs/dbraw/zinc/71/56/98/840715698.db2.gz VGTROCHYAQULDA-YESZJQIVSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149418 840715076 /nfs/dbraw/zinc/71/50/76/840715076.db2.gz YTRJAWQKVRVQNC-RRFJBIMHSA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149418 840715066 /nfs/dbraw/zinc/71/50/66/840715066.db2.gz YTRJAWQKVRVQNC-RRFJBIMHSA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149422 840715655 /nfs/dbraw/zinc/71/56/55/840715655.db2.gz YTRJAWQKVRVQNC-SOUVJXGZSA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149422 840715647 /nfs/dbraw/zinc/71/56/47/840715647.db2.gz YTRJAWQKVRVQNC-SOUVJXGZSA-N 2 1 358.508 -0.638 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157231 840717353 /nfs/dbraw/zinc/71/73/53/840717353.db2.gz COOOPUTZKCTIPK-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157231 840717344 /nfs/dbraw/zinc/71/73/44/840717344.db2.gz COOOPUTZKCTIPK-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157231 840717335 /nfs/dbraw/zinc/71/73/35/840717335.db2.gz COOOPUTZKCTIPK-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157231 840717324 /nfs/dbraw/zinc/71/73/24/840717324.db2.gz COOOPUTZKCTIPK-ARFHVFGLSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157232 840716503 /nfs/dbraw/zinc/71/65/03/840716503.db2.gz COOOPUTZKCTIPK-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157232 840716500 /nfs/dbraw/zinc/71/65/00/840716500.db2.gz COOOPUTZKCTIPK-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157232 840716497 /nfs/dbraw/zinc/71/64/97/840716497.db2.gz COOOPUTZKCTIPK-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157232 840716494 /nfs/dbraw/zinc/71/64/94/840716494.db2.gz COOOPUTZKCTIPK-HRCADAONSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)S(C)(=O)=O ZINC001190168043 840718360 /nfs/dbraw/zinc/71/83/60/840718360.db2.gz LKDMNTVOMRRMAH-LSDHHAIUSA-N 2 1 358.508 -0.494 20 0 FBADMP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)S(C)(=O)=O ZINC001190168043 840718352 /nfs/dbraw/zinc/71/83/52/840718352.db2.gz LKDMNTVOMRRMAH-LSDHHAIUSA-N 2 1 358.508 -0.494 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168821 840718770 /nfs/dbraw/zinc/71/87/70/840718770.db2.gz UYIHQBXIWUIQBY-GVDBMIGSSA-N 2 1 355.479 -0.361 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168824 840718651 /nfs/dbraw/zinc/71/86/51/840718651.db2.gz UYIHQBXIWUIQBY-YESZJQIVSA-N 2 1 355.479 -0.361 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168847 840718721 /nfs/dbraw/zinc/71/87/21/840718721.db2.gz VDLYORNMTXTNGE-DLBZAZTESA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190176812 840718697 /nfs/dbraw/zinc/71/86/97/840718697.db2.gz GVHIYJZOORGKAI-IXDOHACOSA-N 2 1 355.479 -0.504 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190176812 840718690 /nfs/dbraw/zinc/71/86/90/840718690.db2.gz GVHIYJZOORGKAI-IXDOHACOSA-N 2 1 355.479 -0.504 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190176814 840718398 /nfs/dbraw/zinc/71/83/98/840718398.db2.gz GVHIYJZOORGKAI-YESZJQIVSA-N 2 1 355.479 -0.504 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190176814 840718396 /nfs/dbraw/zinc/71/83/96/840718396.db2.gz GVHIYJZOORGKAI-YESZJQIVSA-N 2 1 355.479 -0.504 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237442 840728601 /nfs/dbraw/zinc/72/86/01/840728601.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237442 840728592 /nfs/dbraw/zinc/72/85/92/840728592.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237442 840728580 /nfs/dbraw/zinc/72/85/80/840728580.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237442 840728570 /nfs/dbraw/zinc/72/85/70/840728570.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237442 840728565 /nfs/dbraw/zinc/72/85/65/840728565.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237444 840728903 /nfs/dbraw/zinc/72/89/03/840728903.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237444 840728897 /nfs/dbraw/zinc/72/88/97/840728897.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237444 840728894 /nfs/dbraw/zinc/72/88/94/840728894.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237444 840728886 /nfs/dbraw/zinc/72/88/86/840728886.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237444 840728881 /nfs/dbraw/zinc/72/88/81/840728881.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001190239264 840724885 /nfs/dbraw/zinc/72/48/85/840724885.db2.gz UBMYUUZUZMFIKS-QLFBSQMISA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001190239264 840724882 /nfs/dbraw/zinc/72/48/82/840724882.db2.gz UBMYUUZUZMFIKS-QLFBSQMISA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001190239264 840724877 /nfs/dbraw/zinc/72/48/77/840724877.db2.gz UBMYUUZUZMFIKS-QLFBSQMISA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190239264 840724871 /nfs/dbraw/zinc/72/48/71/840724871.db2.gz UBMYUUZUZMFIKS-QLFBSQMISA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001190239265 840725272 /nfs/dbraw/zinc/72/52/72/840725272.db2.gz UBMYUUZUZMFIKS-RBSFLKMASA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001190239265 840725263 /nfs/dbraw/zinc/72/52/63/840725263.db2.gz UBMYUUZUZMFIKS-RBSFLKMASA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001190239265 840725254 /nfs/dbraw/zinc/72/52/54/840725254.db2.gz UBMYUUZUZMFIKS-RBSFLKMASA-N 2 1 360.524 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190239265 840725242 /nfs/dbraw/zinc/72/52/42/840725242.db2.gz UBMYUUZUZMFIKS-RBSFLKMASA-N 2 1 360.524 -0.249 20 0 FBADMP CCS(=O)(=O)NCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190239995 840724990 /nfs/dbraw/zinc/72/49/90/840724990.db2.gz ZIVNMSRSFPGCGD-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190239995 840724983 /nfs/dbraw/zinc/72/49/83/840724983.db2.gz ZIVNMSRSFPGCGD-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239995 840724981 /nfs/dbraw/zinc/72/49/81/840724981.db2.gz ZIVNMSRSFPGCGD-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239995 840724974 /nfs/dbraw/zinc/72/49/74/840724974.db2.gz ZIVNMSRSFPGCGD-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190239996 840725645 /nfs/dbraw/zinc/72/56/45/840725645.db2.gz ZIVNMSRSFPGCGD-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190239996 840725640 /nfs/dbraw/zinc/72/56/40/840725640.db2.gz ZIVNMSRSFPGCGD-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239996 840725634 /nfs/dbraw/zinc/72/56/34/840725634.db2.gz ZIVNMSRSFPGCGD-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239996 840725625 /nfs/dbraw/zinc/72/56/25/840725625.db2.gz ZIVNMSRSFPGCGD-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246668 840725323 /nfs/dbraw/zinc/72/53/23/840725323.db2.gz FNNZLOAMIIMTSG-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246668 840725314 /nfs/dbraw/zinc/72/53/14/840725314.db2.gz FNNZLOAMIIMTSG-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001190246668 840725307 /nfs/dbraw/zinc/72/53/07/840725307.db2.gz FNNZLOAMIIMTSG-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190246668 840725301 /nfs/dbraw/zinc/72/53/01/840725301.db2.gz FNNZLOAMIIMTSG-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246669 840725050 /nfs/dbraw/zinc/72/50/50/840725050.db2.gz FNNZLOAMIIMTSG-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246669 840725043 /nfs/dbraw/zinc/72/50/43/840725043.db2.gz FNNZLOAMIIMTSG-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001190246669 840725037 /nfs/dbraw/zinc/72/50/37/840725037.db2.gz FNNZLOAMIIMTSG-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190246669 840725031 /nfs/dbraw/zinc/72/50/31/840725031.db2.gz FNNZLOAMIIMTSG-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001190248153 840726657 /nfs/dbraw/zinc/72/66/57/840726657.db2.gz XMPCSRAZOQNXMA-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001190248153 840726649 /nfs/dbraw/zinc/72/66/49/840726649.db2.gz XMPCSRAZOQNXMA-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001190248153 840726638 /nfs/dbraw/zinc/72/66/38/840726638.db2.gz XMPCSRAZOQNXMA-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001190248153 840726631 /nfs/dbraw/zinc/72/66/31/840726631.db2.gz XMPCSRAZOQNXMA-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001190248154 840726452 /nfs/dbraw/zinc/72/64/52/840726452.db2.gz XMPCSRAZOQNXMA-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001190248154 840726443 /nfs/dbraw/zinc/72/64/43/840726443.db2.gz XMPCSRAZOQNXMA-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001190248154 840726436 /nfs/dbraw/zinc/72/64/36/840726436.db2.gz XMPCSRAZOQNXMA-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001190248154 840726427 /nfs/dbraw/zinc/72/64/27/840726427.db2.gz XMPCSRAZOQNXMA-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCOC)C[C@H]32)C1 ZINC001190263638 840728463 /nfs/dbraw/zinc/72/84/63/840728463.db2.gz XFSOWYUWNSOBLC-BBWFWOEESA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCOC)C[C@H]32)C1 ZINC001190263638 840728459 /nfs/dbraw/zinc/72/84/59/840728459.db2.gz XFSOWYUWNSOBLC-BBWFWOEESA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)C1 ZINC001190263638 840728450 /nfs/dbraw/zinc/72/84/50/840728450.db2.gz XFSOWYUWNSOBLC-BBWFWOEESA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)C1 ZINC001190263638 840728441 /nfs/dbraw/zinc/72/84/41/840728441.db2.gz XFSOWYUWNSOBLC-BBWFWOEESA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCOC)C[C@H]32)C1 ZINC001190263639 840727843 /nfs/dbraw/zinc/72/78/43/840727843.db2.gz XFSOWYUWNSOBLC-GVDBMIGSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCOC)C[C@H]32)C1 ZINC001190263639 840727834 /nfs/dbraw/zinc/72/78/34/840727834.db2.gz XFSOWYUWNSOBLC-GVDBMIGSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)C1 ZINC001190263639 840727826 /nfs/dbraw/zinc/72/78/26/840727826.db2.gz XFSOWYUWNSOBLC-GVDBMIGSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)C1 ZINC001190263639 840727817 /nfs/dbraw/zinc/72/78/17/840727817.db2.gz XFSOWYUWNSOBLC-GVDBMIGSSA-N 2 1 355.479 -0.097 20 0 FBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190317180 840729455 /nfs/dbraw/zinc/72/94/55/840729455.db2.gz DSHSOFJGSYZFML-UONOGXRCSA-N 2 1 351.451 -0.410 20 0 FBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190317180 840729446 /nfs/dbraw/zinc/72/94/46/840729446.db2.gz DSHSOFJGSYZFML-UONOGXRCSA-N 2 1 351.451 -0.410 20 0 FBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324777 840729923 /nfs/dbraw/zinc/72/99/23/840729923.db2.gz ONEOSHJLEQAJIL-UONOGXRCSA-N 2 1 351.451 -0.410 20 0 FBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324777 840729918 /nfs/dbraw/zinc/72/99/18/840729918.db2.gz ONEOSHJLEQAJIL-UONOGXRCSA-N 2 1 351.451 -0.410 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190350449 840730964 /nfs/dbraw/zinc/73/09/64/840730964.db2.gz DKEQZDZIOBUPSJ-UONOGXRCSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190350449 840730960 /nfs/dbraw/zinc/73/09/60/840730960.db2.gz DKEQZDZIOBUPSJ-UONOGXRCSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350449 840730954 /nfs/dbraw/zinc/73/09/54/840730954.db2.gz DKEQZDZIOBUPSJ-UONOGXRCSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350449 840730948 /nfs/dbraw/zinc/73/09/48/840730948.db2.gz DKEQZDZIOBUPSJ-UONOGXRCSA-N 2 1 353.467 -0.295 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001190350873 840730912 /nfs/dbraw/zinc/73/09/12/840730912.db2.gz MTDLQMPOWBESQP-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001190350873 840730904 /nfs/dbraw/zinc/73/09/04/840730904.db2.gz MTDLQMPOWBESQP-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001190350873 840730896 /nfs/dbraw/zinc/73/08/96/840730896.db2.gz MTDLQMPOWBESQP-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001190350873 840730892 /nfs/dbraw/zinc/73/08/92/840730892.db2.gz MTDLQMPOWBESQP-JKSUJKDBSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001190370992 840732995 /nfs/dbraw/zinc/73/29/95/840732995.db2.gz NBCKHDUXPFDZJE-UONOGXRCSA-N 2 1 351.451 -0.589 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371135 840732430 /nfs/dbraw/zinc/73/24/30/840732430.db2.gz OJVWSXBJEZDPFX-HZSPNIEDSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371135 840732411 /nfs/dbraw/zinc/73/24/11/840732411.db2.gz OJVWSXBJEZDPFX-HZSPNIEDSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371135 840732398 /nfs/dbraw/zinc/73/23/98/840732398.db2.gz OJVWSXBJEZDPFX-HZSPNIEDSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371135 840732389 /nfs/dbraw/zinc/73/23/89/840732389.db2.gz OJVWSXBJEZDPFX-HZSPNIEDSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371138 840732494 /nfs/dbraw/zinc/73/24/94/840732494.db2.gz OJVWSXBJEZDPFX-MELADBBJSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371138 840732479 /nfs/dbraw/zinc/73/24/79/840732479.db2.gz OJVWSXBJEZDPFX-MELADBBJSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371138 840732468 /nfs/dbraw/zinc/73/24/68/840732468.db2.gz OJVWSXBJEZDPFX-MELADBBJSA-N 2 1 353.467 -0.297 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371138 840732458 /nfs/dbraw/zinc/73/24/58/840732458.db2.gz OJVWSXBJEZDPFX-MELADBBJSA-N 2 1 353.467 -0.297 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371398 840734156 /nfs/dbraw/zinc/73/41/56/840734156.db2.gz TZVJACKWGKJDOV-GVDBMIGSSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371398 840734146 /nfs/dbraw/zinc/73/41/46/840734146.db2.gz TZVJACKWGKJDOV-GVDBMIGSSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371398 840734136 /nfs/dbraw/zinc/73/41/36/840734136.db2.gz TZVJACKWGKJDOV-GVDBMIGSSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371399 840733916 /nfs/dbraw/zinc/73/39/16/840733916.db2.gz TZVJACKWGKJDOV-YESZJQIVSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371399 840733906 /nfs/dbraw/zinc/73/39/06/840733906.db2.gz TZVJACKWGKJDOV-YESZJQIVSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371399 840733900 /nfs/dbraw/zinc/73/39/00/840733900.db2.gz TZVJACKWGKJDOV-YESZJQIVSA-N 2 1 357.495 -0.117 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371423 840734625 /nfs/dbraw/zinc/73/46/25/840734625.db2.gz UZTQOUVZXDBMCR-LSDHHAIUSA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371423 840734616 /nfs/dbraw/zinc/73/46/16/840734616.db2.gz UZTQOUVZXDBMCR-LSDHHAIUSA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371423 840734609 /nfs/dbraw/zinc/73/46/09/840734609.db2.gz UZTQOUVZXDBMCR-LSDHHAIUSA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371423 840734600 /nfs/dbraw/zinc/73/46/00/840734600.db2.gz UZTQOUVZXDBMCR-LSDHHAIUSA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCCCN1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001190480579 840735248 /nfs/dbraw/zinc/73/52/48/840735248.db2.gz DJLLCLJVJHUOPF-LSDHHAIUSA-N 2 1 369.491 -0.255 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001190480579 840735238 /nfs/dbraw/zinc/73/52/38/840735238.db2.gz DJLLCLJVJHUOPF-LSDHHAIUSA-N 2 1 369.491 -0.255 20 0 FBADMP CN(CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1)S(C)(=O)=O ZINC001190481031 840735332 /nfs/dbraw/zinc/73/53/32/840735332.db2.gz PQPCCKPRWRXHDV-UONOGXRCSA-N 2 1 355.464 -0.693 20 0 FBADMP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1)S(C)(=O)=O ZINC001190481031 840735324 /nfs/dbraw/zinc/73/53/24/840735324.db2.gz PQPCCKPRWRXHDV-UONOGXRCSA-N 2 1 355.464 -0.693 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899577 840772663 /nfs/dbraw/zinc/77/26/63/840772663.db2.gz KIROTMHDEZDFFK-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899577 840772659 /nfs/dbraw/zinc/77/26/59/840772659.db2.gz KIROTMHDEZDFFK-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899577 840772655 /nfs/dbraw/zinc/77/26/55/840772655.db2.gz KIROTMHDEZDFFK-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899577 840772643 /nfs/dbraw/zinc/77/26/43/840772643.db2.gz KIROTMHDEZDFFK-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899578 840772995 /nfs/dbraw/zinc/77/29/95/840772995.db2.gz KIROTMHDEZDFFK-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899578 840772986 /nfs/dbraw/zinc/77/29/86/840772986.db2.gz KIROTMHDEZDFFK-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899578 840772976 /nfs/dbraw/zinc/77/29/76/840772976.db2.gz KIROTMHDEZDFFK-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)C3CC3)C2)O1 ZINC001190899578 840772965 /nfs/dbraw/zinc/77/29/65/840772965.db2.gz KIROTMHDEZDFFK-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784404 840864349 /nfs/dbraw/zinc/86/43/49/840864349.db2.gz CUGBBCKPRXMYAA-HZSPNIEDSA-N 2 1 355.483 -0.660 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784404 840864343 /nfs/dbraw/zinc/86/43/43/840864343.db2.gz CUGBBCKPRXMYAA-HZSPNIEDSA-N 2 1 355.483 -0.660 20 0 FBADMP CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784425 840863826 /nfs/dbraw/zinc/86/38/26/840863826.db2.gz CUGBBCKPRXMYAA-MGPQQGTHSA-N 2 1 355.483 -0.660 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784425 840863814 /nfs/dbraw/zinc/86/38/14/840863814.db2.gz CUGBBCKPRXMYAA-MGPQQGTHSA-N 2 1 355.483 -0.660 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001191793720 840865826 /nfs/dbraw/zinc/86/58/26/840865826.db2.gz NTAFBEZNGDCLPD-BZUAXINKSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001191793720 840865819 /nfs/dbraw/zinc/86/58/19/840865819.db2.gz NTAFBEZNGDCLPD-BZUAXINKSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001191793720 840865807 /nfs/dbraw/zinc/86/58/07/840865807.db2.gz NTAFBEZNGDCLPD-BZUAXINKSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001191793720 840865797 /nfs/dbraw/zinc/86/57/97/840865797.db2.gz NTAFBEZNGDCLPD-BZUAXINKSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001191793729 840865722 /nfs/dbraw/zinc/86/57/22/840865722.db2.gz NTAFBEZNGDCLPD-OWCLPIDISA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001191793729 840865714 /nfs/dbraw/zinc/86/57/14/840865714.db2.gz NTAFBEZNGDCLPD-OWCLPIDISA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001191793729 840865705 /nfs/dbraw/zinc/86/57/05/840865705.db2.gz NTAFBEZNGDCLPD-OWCLPIDISA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001191793729 840865694 /nfs/dbraw/zinc/86/56/94/840865694.db2.gz NTAFBEZNGDCLPD-OWCLPIDISA-N 2 1 350.467 -0.296 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066067 840993142 /nfs/dbraw/zinc/99/31/42/840993142.db2.gz AQJLCZMHGLKWJK-FVQBIDKESA-N 2 1 353.467 -0.619 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066068 840993723 /nfs/dbraw/zinc/99/37/23/840993723.db2.gz AQJLCZMHGLKWJK-NUEKZKHPSA-N 2 1 353.467 -0.619 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193067236 840993981 /nfs/dbraw/zinc/99/39/81/840993981.db2.gz MZAWRLURBKJZID-HZPDHXFCSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193067236 840993977 /nfs/dbraw/zinc/99/39/77/840993977.db2.gz MZAWRLURBKJZID-HZPDHXFCSA-N 2 1 353.467 -0.355 20 0 FBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068409 840994452 /nfs/dbraw/zinc/99/44/52/840994452.db2.gz SELGXVKXLJGKBY-HZPDHXFCSA-N 2 1 353.467 -0.354 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068486 840994845 /nfs/dbraw/zinc/99/48/45/840994845.db2.gz USNFFLJRKLSYLU-HZPDHXFCSA-N 2 1 353.467 -0.354 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2O)CC[N@H+]1C ZINC001193084899 840995824 /nfs/dbraw/zinc/99/58/24/840995824.db2.gz DSWUSWARFWWMSF-GBJTYRQASA-N 2 1 354.495 -0.207 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(CC)CC)C[C@H]2O)CC[N@H+]1C ZINC001193084994 840995969 /nfs/dbraw/zinc/99/59/69/840995969.db2.gz GFGTWKYFNPURNN-ZJIFWQFVSA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]2O)CC[N@H+]1C ZINC001193085266 840996077 /nfs/dbraw/zinc/99/60/77/840996077.db2.gz GZLNHKNZDHCMRK-DTZQCDIJSA-N 2 1 352.479 -0.644 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2O)CC[N@H+]1C ZINC001193085790 840996153 /nfs/dbraw/zinc/99/61/53/840996153.db2.gz PCTUNMVCAMCJIG-ZJIFWQFVSA-N 2 1 352.479 -0.596 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@H]2O)CC[N@H+]1C ZINC001193086133 840995696 /nfs/dbraw/zinc/99/56/96/840995696.db2.gz UTCMLXOXJJGYIR-ZJIFWQFVSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001193447697 841031247 /nfs/dbraw/zinc/03/12/47/841031247.db2.gz VXZCVSTZIYKORA-ARFHVFGLSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001193447697 841031236 /nfs/dbraw/zinc/03/12/36/841031236.db2.gz VXZCVSTZIYKORA-ARFHVFGLSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001193447702 841031727 /nfs/dbraw/zinc/03/17/27/841031727.db2.gz VXZCVSTZIYKORA-BZUAXINKSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001193447702 841031722 /nfs/dbraw/zinc/03/17/22/841031722.db2.gz VXZCVSTZIYKORA-BZUAXINKSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001193447909 841031666 /nfs/dbraw/zinc/03/16/66/841031666.db2.gz ZJJVNBNPQBHMIR-ARFHVFGLSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001193447909 841031658 /nfs/dbraw/zinc/03/16/58/841031658.db2.gz ZJJVNBNPQBHMIR-ARFHVFGLSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001193447910 841031559 /nfs/dbraw/zinc/03/15/59/841031559.db2.gz ZJJVNBNPQBHMIR-BZUAXINKSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001193447910 841031554 /nfs/dbraw/zinc/03/15/54/841031554.db2.gz ZJJVNBNPQBHMIR-BZUAXINKSA-N 2 1 355.458 -0.196 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193729428 841068786 /nfs/dbraw/zinc/06/87/86/841068786.db2.gz ZCWRRACJLLFOSU-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729428 841068773 /nfs/dbraw/zinc/06/87/73/841068773.db2.gz ZCWRRACJLLFOSU-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729428 841068761 /nfs/dbraw/zinc/06/87/61/841068761.db2.gz ZCWRRACJLLFOSU-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729428 841068749 /nfs/dbraw/zinc/06/87/49/841068749.db2.gz ZCWRRACJLLFOSU-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193729439 841068205 /nfs/dbraw/zinc/06/82/05/841068205.db2.gz ZCWRRACJLLFOSU-GVDBMIGSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729439 841068193 /nfs/dbraw/zinc/06/81/93/841068193.db2.gz ZCWRRACJLLFOSU-GVDBMIGSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729439 841068181 /nfs/dbraw/zinc/06/81/81/841068181.db2.gz ZCWRRACJLLFOSU-GVDBMIGSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729439 841068168 /nfs/dbraw/zinc/06/81/68/841068168.db2.gz ZCWRRACJLLFOSU-GVDBMIGSSA-N 2 1 357.495 -0.211 20 0 FBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737748 841069808 /nfs/dbraw/zinc/06/98/08/841069808.db2.gz GFQIGDAQLSWOMZ-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737748 841069797 /nfs/dbraw/zinc/06/97/97/841069797.db2.gz GFQIGDAQLSWOMZ-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737748 841069786 /nfs/dbraw/zinc/06/97/86/841069786.db2.gz GFQIGDAQLSWOMZ-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737748 841069774 /nfs/dbraw/zinc/06/97/74/841069774.db2.gz GFQIGDAQLSWOMZ-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737750 841069580 /nfs/dbraw/zinc/06/95/80/841069580.db2.gz GFQIGDAQLSWOMZ-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737750 841069568 /nfs/dbraw/zinc/06/95/68/841069568.db2.gz GFQIGDAQLSWOMZ-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737750 841069554 /nfs/dbraw/zinc/06/95/54/841069554.db2.gz GFQIGDAQLSWOMZ-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737750 841069543 /nfs/dbraw/zinc/06/95/43/841069543.db2.gz GFQIGDAQLSWOMZ-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)CCC1 ZINC001193738309 841069423 /nfs/dbraw/zinc/06/94/23/841069423.db2.gz QLPSRMJTNPAKAH-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)CCC1 ZINC001193738309 841069417 /nfs/dbraw/zinc/06/94/17/841069417.db2.gz QLPSRMJTNPAKAH-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738497 841069218 /nfs/dbraw/zinc/06/92/18/841069218.db2.gz WVXIWVYYXBSEJI-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738497 841069206 /nfs/dbraw/zinc/06/92/06/841069206.db2.gz WVXIWVYYXBSEJI-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738497 841069195 /nfs/dbraw/zinc/06/91/95/841069195.db2.gz WVXIWVYYXBSEJI-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738498 841069987 /nfs/dbraw/zinc/06/99/87/841069987.db2.gz WVXIWVYYXBSEJI-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738498 841069976 /nfs/dbraw/zinc/06/99/76/841069976.db2.gz WVXIWVYYXBSEJI-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738498 841069962 /nfs/dbraw/zinc/06/99/62/841069962.db2.gz WVXIWVYYXBSEJI-IXDOHACOSA-N 2 1 355.479 -0.172 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193754768 841078792 /nfs/dbraw/zinc/07/87/92/841078792.db2.gz ARFIJKBXFOLUJG-ZIAGYGMSSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193754768 841078779 /nfs/dbraw/zinc/07/87/79/841078779.db2.gz ARFIJKBXFOLUJG-ZIAGYGMSSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193754826 841078033 /nfs/dbraw/zinc/07/80/33/841078033.db2.gz BVYRWTNDPYIHTH-HUUCEWRRSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193754826 841078021 /nfs/dbraw/zinc/07/80/21/841078021.db2.gz BVYRWTNDPYIHTH-HUUCEWRRSA-N 2 1 350.467 -0.459 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001193756517 841077684 /nfs/dbraw/zinc/07/76/84/841077684.db2.gz SKDTVFDBHKXKLJ-BRWVUGGUSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001193756517 841077674 /nfs/dbraw/zinc/07/76/74/841077674.db2.gz SKDTVFDBHKXKLJ-BRWVUGGUSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001193756517 841077665 /nfs/dbraw/zinc/07/76/65/841077665.db2.gz SKDTVFDBHKXKLJ-BRWVUGGUSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001193756517 841077656 /nfs/dbraw/zinc/07/76/56/841077656.db2.gz SKDTVFDBHKXKLJ-BRWVUGGUSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001193756518 841078388 /nfs/dbraw/zinc/07/83/88/841078388.db2.gz SKDTVFDBHKXKLJ-IXDOHACOSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001193756518 841078378 /nfs/dbraw/zinc/07/83/78/841078378.db2.gz SKDTVFDBHKXKLJ-IXDOHACOSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001193756518 841078370 /nfs/dbraw/zinc/07/83/70/841078370.db2.gz SKDTVFDBHKXKLJ-IXDOHACOSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001193756518 841078363 /nfs/dbraw/zinc/07/83/63/841078363.db2.gz SKDTVFDBHKXKLJ-IXDOHACOSA-N 2 1 355.479 -0.436 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CCC1 ZINC001193765573 841080344 /nfs/dbraw/zinc/08/03/44/841080344.db2.gz CKFJBGGCEBVCLL-RBSFLKMASA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CCC1 ZINC001193765574 841079341 /nfs/dbraw/zinc/07/93/41/841079341.db2.gz CKFJBGGCEBVCLL-RRFJBIMHSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CCC1 ZINC001193765738 841080573 /nfs/dbraw/zinc/08/05/73/841080573.db2.gz GRCWFJZORCCUBQ-IJLUTSLNSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CCC1 ZINC001193765738 841080567 /nfs/dbraw/zinc/08/05/67/841080567.db2.gz GRCWFJZORCCUBQ-IJLUTSLNSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CCC1 ZINC001193765739 841080309 /nfs/dbraw/zinc/08/03/09/841080309.db2.gz GRCWFJZORCCUBQ-QJPTWQEYSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CCC1 ZINC001193765739 841080302 /nfs/dbraw/zinc/08/03/02/841080302.db2.gz GRCWFJZORCCUBQ-QJPTWQEYSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001193765770 841079988 /nfs/dbraw/zinc/07/99/88/841079988.db2.gz HCWXUBOLANFGQJ-BFYDXBDKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001193765770 841079973 /nfs/dbraw/zinc/07/99/73/841079973.db2.gz HCWXUBOLANFGQJ-BFYDXBDKSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001193765772 841079785 /nfs/dbraw/zinc/07/97/85/841079785.db2.gz HCWXUBOLANFGQJ-INMHGKMJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001193765772 841079774 /nfs/dbraw/zinc/07/97/74/841079774.db2.gz HCWXUBOLANFGQJ-INMHGKMJSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774053 841074346 /nfs/dbraw/zinc/07/43/46/841074346.db2.gz GMFIHVOWVYEGIY-ARFHVFGLSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774056 841073978 /nfs/dbraw/zinc/07/39/78/841073978.db2.gz GMFIHVOWVYEGIY-BZUAXINKSA-N 2 1 357.495 -0.335 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CCC1 ZINC001193774107 841074051 /nfs/dbraw/zinc/07/40/51/841074051.db2.gz HRMSWDLFYBTWLS-ARFHVFGLSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CCC1 ZINC001193774109 841074075 /nfs/dbraw/zinc/07/40/75/841074075.db2.gz HRMSWDLFYBTWLS-BZUAXINKSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CCC1 ZINC001193774289 841074583 /nfs/dbraw/zinc/07/45/83/841074583.db2.gz KUTHMLJNABVSDW-ARFHVFGLSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CCC1 ZINC001193774289 841074576 /nfs/dbraw/zinc/07/45/76/841074576.db2.gz KUTHMLJNABVSDW-ARFHVFGLSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CCC1 ZINC001193774290 841073605 /nfs/dbraw/zinc/07/36/05/841073605.db2.gz KUTHMLJNABVSDW-BZUAXINKSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CCC1 ZINC001193774290 841073595 /nfs/dbraw/zinc/07/35/95/841073595.db2.gz KUTHMLJNABVSDW-BZUAXINKSA-N 2 1 355.479 -0.172 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193781585 841076134 /nfs/dbraw/zinc/07/61/34/841076134.db2.gz MYYGOTAUPOYMOF-FMKPAKJESA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193781585 841076122 /nfs/dbraw/zinc/07/61/22/841076122.db2.gz MYYGOTAUPOYMOF-FMKPAKJESA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193781592 841076724 /nfs/dbraw/zinc/07/67/24/841076724.db2.gz MYYGOTAUPOYMOF-IIAWOOMASA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193781592 841076711 /nfs/dbraw/zinc/07/67/11/841076711.db2.gz MYYGOTAUPOYMOF-IIAWOOMASA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193782304 841075654 /nfs/dbraw/zinc/07/56/54/841075654.db2.gz VLEBNYCAVVDZTL-BZUAXINKSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193782304 841075634 /nfs/dbraw/zinc/07/56/34/841075634.db2.gz VLEBNYCAVVDZTL-BZUAXINKSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193782305 841075475 /nfs/dbraw/zinc/07/54/75/841075475.db2.gz VLEBNYCAVVDZTL-OAGGEKHMSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193782305 841075464 /nfs/dbraw/zinc/07/54/64/841075464.db2.gz VLEBNYCAVVDZTL-OAGGEKHMSA-N 2 1 350.467 -0.604 20 0 FBADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805960 841083571 /nfs/dbraw/zinc/08/35/71/841083571.db2.gz WCLRTGMYBRHWLQ-BRWVUGGUSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805960 841083561 /nfs/dbraw/zinc/08/35/61/841083561.db2.gz WCLRTGMYBRHWLQ-BRWVUGGUSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805960 841083549 /nfs/dbraw/zinc/08/35/49/841083549.db2.gz WCLRTGMYBRHWLQ-BRWVUGGUSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805962 841083927 /nfs/dbraw/zinc/08/39/27/841083927.db2.gz WCLRTGMYBRHWLQ-GVDBMIGSSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805962 841083914 /nfs/dbraw/zinc/08/39/14/841083914.db2.gz WCLRTGMYBRHWLQ-GVDBMIGSSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805962 841083904 /nfs/dbraw/zinc/08/39/04/841083904.db2.gz WCLRTGMYBRHWLQ-GVDBMIGSSA-N 2 1 357.495 -0.335 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)C1CCC1 ZINC001193813033 841083513 /nfs/dbraw/zinc/08/35/13/841083513.db2.gz XDZOZOFSTPVZDA-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)C1CCC1 ZINC001193813033 841083501 /nfs/dbraw/zinc/08/35/01/841083501.db2.gz XDZOZOFSTPVZDA-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O)C1CCC1 ZINC001193813033 841083488 /nfs/dbraw/zinc/08/34/88/841083488.db2.gz XDZOZOFSTPVZDA-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O)C1CCC1 ZINC001193813033 841083480 /nfs/dbraw/zinc/08/34/80/841083480.db2.gz XDZOZOFSTPVZDA-HZPDHXFCSA-N 2 1 352.479 -0.356 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)n1 ZINC001193821130 841086851 /nfs/dbraw/zinc/08/68/51/841086851.db2.gz FKKLTAGGVJKWSP-HZPDHXFCSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)n1 ZINC001193821130 841086837 /nfs/dbraw/zinc/08/68/37/841086837.db2.gz FKKLTAGGVJKWSP-HZPDHXFCSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001193821130 841086823 /nfs/dbraw/zinc/08/68/23/841086823.db2.gz FKKLTAGGVJKWSP-HZPDHXFCSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193821130 841086811 /nfs/dbraw/zinc/08/68/11/841086811.db2.gz FKKLTAGGVJKWSP-HZPDHXFCSA-N 2 1 350.467 -0.459 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821414 841086535 /nfs/dbraw/zinc/08/65/35/841086535.db2.gz HJVHIHHHCQQLEF-FVQBIDKESA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821414 841086523 /nfs/dbraw/zinc/08/65/23/841086523.db2.gz HJVHIHHHCQQLEF-FVQBIDKESA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821414 841086511 /nfs/dbraw/zinc/08/65/11/841086511.db2.gz HJVHIHHHCQQLEF-FVQBIDKESA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821415 841085939 /nfs/dbraw/zinc/08/59/39/841085939.db2.gz HJVHIHHHCQQLEF-NUEKZKHPSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821415 841085929 /nfs/dbraw/zinc/08/59/29/841085929.db2.gz HJVHIHHHCQQLEF-NUEKZKHPSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821415 841085922 /nfs/dbraw/zinc/08/59/22/841085922.db2.gz HJVHIHHHCQQLEF-NUEKZKHPSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821523 841087263 /nfs/dbraw/zinc/08/72/63/841087263.db2.gz MITVYHLHSUMMHV-JHJVBQTASA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821523 841087251 /nfs/dbraw/zinc/08/72/51/841087251.db2.gz MITVYHLHSUMMHV-JHJVBQTASA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821523 841087241 /nfs/dbraw/zinc/08/72/41/841087241.db2.gz MITVYHLHSUMMHV-JHJVBQTASA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821523 841087232 /nfs/dbraw/zinc/08/72/32/841087232.db2.gz MITVYHLHSUMMHV-JHJVBQTASA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821524 841085342 /nfs/dbraw/zinc/08/53/42/841085342.db2.gz MITVYHLHSUMMHV-YNEHKIRRSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821524 841085330 /nfs/dbraw/zinc/08/53/30/841085330.db2.gz MITVYHLHSUMMHV-YNEHKIRRSA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821524 841085316 /nfs/dbraw/zinc/08/53/16/841085316.db2.gz MITVYHLHSUMMHV-YNEHKIRRSA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193821524 841085300 /nfs/dbraw/zinc/08/53/00/841085300.db2.gz MITVYHLHSUMMHV-YNEHKIRRSA-N 2 1 353.385 -0.055 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)n1 ZINC001193821990 841085078 /nfs/dbraw/zinc/08/50/78/841085078.db2.gz VDWNMKSZLCGWEH-HUUCEWRRSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)n1 ZINC001193821990 841085073 /nfs/dbraw/zinc/08/50/73/841085073.db2.gz VDWNMKSZLCGWEH-HUUCEWRRSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001193821990 841085062 /nfs/dbraw/zinc/08/50/62/841085062.db2.gz VDWNMKSZLCGWEH-HUUCEWRRSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193821990 841085050 /nfs/dbraw/zinc/08/50/50/841085050.db2.gz VDWNMKSZLCGWEH-HUUCEWRRSA-N 2 1 351.451 -0.044 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827696 841087140 /nfs/dbraw/zinc/08/71/40/841087140.db2.gz FJVOCIISEASTKB-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827696 841087135 /nfs/dbraw/zinc/08/71/35/841087135.db2.gz FJVOCIISEASTKB-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827696 841087123 /nfs/dbraw/zinc/08/71/23/841087123.db2.gz FJVOCIISEASTKB-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827697 841085542 /nfs/dbraw/zinc/08/55/42/841085542.db2.gz FJVOCIISEASTKB-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827697 841085533 /nfs/dbraw/zinc/08/55/33/841085533.db2.gz FJVOCIISEASTKB-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827697 841085521 /nfs/dbraw/zinc/08/55/21/841085521.db2.gz FJVOCIISEASTKB-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828697 841085247 /nfs/dbraw/zinc/08/52/47/841085247.db2.gz VFJQOVIYNUNMBW-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828697 841085234 /nfs/dbraw/zinc/08/52/34/841085234.db2.gz VFJQOVIYNUNMBW-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828697 841085224 /nfs/dbraw/zinc/08/52/24/841085224.db2.gz VFJQOVIYNUNMBW-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828697 841085212 /nfs/dbraw/zinc/08/52/12/841085212.db2.gz VFJQOVIYNUNMBW-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828698 841087574 /nfs/dbraw/zinc/08/75/74/841087574.db2.gz VFJQOVIYNUNMBW-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828698 841087571 /nfs/dbraw/zinc/08/75/71/841087571.db2.gz VFJQOVIYNUNMBW-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828698 841087564 /nfs/dbraw/zinc/08/75/64/841087564.db2.gz VFJQOVIYNUNMBW-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O)C1CCC1 ZINC001193828698 841087561 /nfs/dbraw/zinc/08/75/61/841087561.db2.gz VFJQOVIYNUNMBW-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891961 841095952 /nfs/dbraw/zinc/09/59/52/841095952.db2.gz BDXCLKBCYPWCRZ-ARFHVFGLSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891961 841095946 /nfs/dbraw/zinc/09/59/46/841095946.db2.gz BDXCLKBCYPWCRZ-ARFHVFGLSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891961 841095937 /nfs/dbraw/zinc/09/59/37/841095937.db2.gz BDXCLKBCYPWCRZ-ARFHVFGLSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891961 841095917 /nfs/dbraw/zinc/09/59/17/841095917.db2.gz BDXCLKBCYPWCRZ-ARFHVFGLSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891963 841096453 /nfs/dbraw/zinc/09/64/53/841096453.db2.gz BDXCLKBCYPWCRZ-BZUAXINKSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891963 841096441 /nfs/dbraw/zinc/09/64/41/841096441.db2.gz BDXCLKBCYPWCRZ-BZUAXINKSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891963 841096433 /nfs/dbraw/zinc/09/64/33/841096433.db2.gz BDXCLKBCYPWCRZ-BZUAXINKSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001193891963 841096416 /nfs/dbraw/zinc/09/64/16/841096416.db2.gz BDXCLKBCYPWCRZ-BZUAXINKSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001193892196 841095697 /nfs/dbraw/zinc/09/56/97/841095697.db2.gz FRARARCWSSQZEH-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001193892196 841095685 /nfs/dbraw/zinc/09/56/85/841095685.db2.gz FRARARCWSSQZEH-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001193892196 841095675 /nfs/dbraw/zinc/09/56/75/841095675.db2.gz FRARARCWSSQZEH-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001193892196 841095669 /nfs/dbraw/zinc/09/56/69/841095669.db2.gz FRARARCWSSQZEH-ARFHVFGLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001193892197 841095502 /nfs/dbraw/zinc/09/55/02/841095502.db2.gz FRARARCWSSQZEH-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001193892197 841095497 /nfs/dbraw/zinc/09/54/97/841095497.db2.gz FRARARCWSSQZEH-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001193892197 841095480 /nfs/dbraw/zinc/09/54/80/841095480.db2.gz FRARARCWSSQZEH-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001193892197 841095471 /nfs/dbraw/zinc/09/54/71/841095471.db2.gz FRARARCWSSQZEH-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193901445 841096031 /nfs/dbraw/zinc/09/60/31/841096031.db2.gz FAIIFFIVUCMFJU-RBSFLKMASA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193901445 841096020 /nfs/dbraw/zinc/09/60/20/841096020.db2.gz FAIIFFIVUCMFJU-RBSFLKMASA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001193901445 841096007 /nfs/dbraw/zinc/09/60/07/841096007.db2.gz FAIIFFIVUCMFJU-RBSFLKMASA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001193901445 841095994 /nfs/dbraw/zinc/09/59/94/841095994.db2.gz FAIIFFIVUCMFJU-RBSFLKMASA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193901446 841097229 /nfs/dbraw/zinc/09/72/29/841097229.db2.gz FAIIFFIVUCMFJU-RRFJBIMHSA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193901446 841097220 /nfs/dbraw/zinc/09/72/20/841097220.db2.gz FAIIFFIVUCMFJU-RRFJBIMHSA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001193901446 841097210 /nfs/dbraw/zinc/09/72/10/841097210.db2.gz FAIIFFIVUCMFJU-RRFJBIMHSA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001193901446 841097203 /nfs/dbraw/zinc/09/72/03/841097203.db2.gz FAIIFFIVUCMFJU-RRFJBIMHSA-N 2 1 353.467 -0.953 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001193930497 841092484 /nfs/dbraw/zinc/09/24/84/841092484.db2.gz WGCGPJDBCUUQKG-INMHGKMJSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001193930497 841092475 /nfs/dbraw/zinc/09/24/75/841092475.db2.gz WGCGPJDBCUUQKG-INMHGKMJSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](C)C ZINC001193952552 841100293 /nfs/dbraw/zinc/10/02/93/841100293.db2.gz BJHSZNQBJONLJP-INMHGKMJSA-N 2 1 350.463 -0.367 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193960681 841101505 /nfs/dbraw/zinc/10/15/05/841101505.db2.gz ATNNLJFBPDTTJA-OAGGEKHMSA-N 2 1 352.483 -0.358 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193960681 841101501 /nfs/dbraw/zinc/10/15/01/841101501.db2.gz ATNNLJFBPDTTJA-OAGGEKHMSA-N 2 1 352.483 -0.358 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194040004 841111695 /nfs/dbraw/zinc/11/16/95/841111695.db2.gz XRPJPAAZCPUZGI-HZPDHXFCSA-N 2 1 355.479 -0.313 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194040004 841111690 /nfs/dbraw/zinc/11/16/90/841111690.db2.gz XRPJPAAZCPUZGI-HZPDHXFCSA-N 2 1 355.479 -0.313 20 0 FBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102068 841119676 /nfs/dbraw/zinc/11/96/76/841119676.db2.gz AMYHVQDVAYOLDL-HZPDHXFCSA-N 2 1 357.495 -0.067 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102191 841120538 /nfs/dbraw/zinc/12/05/38/841120538.db2.gz DIUQVTYLRZUQKI-HZPDHXFCSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194102741 841120041 /nfs/dbraw/zinc/12/00/41/841120041.db2.gz OPIXJUFFXHTJOG-ARFHVFGLSA-N 2 1 355.479 -0.457 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001194102742 841120201 /nfs/dbraw/zinc/12/02/01/841120201.db2.gz OPIXJUFFXHTJOG-BZUAXINKSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103069 841120101 /nfs/dbraw/zinc/12/01/01/841120101.db2.gz TZQMWAOECXOIAW-ARFHVFGLSA-N 2 1 357.495 -0.333 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103070 841119705 /nfs/dbraw/zinc/11/97/05/841119705.db2.gz TZQMWAOECXOIAW-BZUAXINKSA-N 2 1 357.495 -0.333 20 0 FBADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)OC ZINC001194103305 841120141 /nfs/dbraw/zinc/12/01/41/841120141.db2.gz XPPSQARMGPYSCH-ARFHVFGLSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)OC ZINC001194103307 841120232 /nfs/dbraw/zinc/12/02/32/841120232.db2.gz XPPSQARMGPYSCH-BZUAXINKSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103326 841120320 /nfs/dbraw/zinc/12/03/20/841120320.db2.gz YFTDDCYVRDDHFM-HZPDHXFCSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001194236254 841135440 /nfs/dbraw/zinc/13/54/40/841135440.db2.gz ZEDGUZMUTCULNR-HUUCEWRRSA-N 2 1 350.463 -0.223 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001194236254 841135435 /nfs/dbraw/zinc/13/54/35/841135435.db2.gz ZEDGUZMUTCULNR-HUUCEWRRSA-N 2 1 350.463 -0.223 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001194236254 841135431 /nfs/dbraw/zinc/13/54/31/841135431.db2.gz ZEDGUZMUTCULNR-HUUCEWRRSA-N 2 1 350.463 -0.223 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001194244588 841135540 /nfs/dbraw/zinc/13/55/40/841135540.db2.gz SBHVEPPIIRFWSW-HUUCEWRRSA-N 2 1 352.483 -0.213 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001194244588 841135532 /nfs/dbraw/zinc/13/55/32/841135532.db2.gz SBHVEPPIIRFWSW-HUUCEWRRSA-N 2 1 352.483 -0.213 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1O ZINC001194244588 841135524 /nfs/dbraw/zinc/13/55/24/841135524.db2.gz SBHVEPPIIRFWSW-HUUCEWRRSA-N 2 1 352.483 -0.213 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1O ZINC001194244588 841135520 /nfs/dbraw/zinc/13/55/20/841135520.db2.gz SBHVEPPIIRFWSW-HUUCEWRRSA-N 2 1 352.483 -0.213 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001194258308 841137982 /nfs/dbraw/zinc/13/79/82/841137982.db2.gz GUTPNBJXNAWHQJ-BFHYXJOUSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001194258308 841137981 /nfs/dbraw/zinc/13/79/81/841137981.db2.gz GUTPNBJXNAWHQJ-BFHYXJOUSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001194258308 841137977 /nfs/dbraw/zinc/13/79/77/841137977.db2.gz GUTPNBJXNAWHQJ-BFHYXJOUSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001194258309 841137264 /nfs/dbraw/zinc/13/72/64/841137264.db2.gz GUTPNBJXNAWHQJ-MGPQQGTHSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001194258309 841137256 /nfs/dbraw/zinc/13/72/56/841137256.db2.gz GUTPNBJXNAWHQJ-MGPQQGTHSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001194258309 841137249 /nfs/dbraw/zinc/13/72/49/841137249.db2.gz GUTPNBJXNAWHQJ-MGPQQGTHSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137819 /nfs/dbraw/zinc/13/78/19/841137819.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137813 /nfs/dbraw/zinc/13/78/13/841137813.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137807 /nfs/dbraw/zinc/13/78/07/841137807.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137678 /nfs/dbraw/zinc/13/76/78/841137678.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137669 /nfs/dbraw/zinc/13/76/69/841137669.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137660 /nfs/dbraw/zinc/13/76/60/841137660.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001194259194 841138036 /nfs/dbraw/zinc/13/80/36/841138036.db2.gz TVSZIUKMLRFELH-HUUCEWRRSA-N 2 1 358.483 -0.969 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001194259194 841138022 /nfs/dbraw/zinc/13/80/22/841138022.db2.gz TVSZIUKMLRFELH-HUUCEWRRSA-N 2 1 358.483 -0.969 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001194259194 841138018 /nfs/dbraw/zinc/13/80/18/841138018.db2.gz TVSZIUKMLRFELH-HUUCEWRRSA-N 2 1 358.483 -0.969 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001194259194 841138010 /nfs/dbraw/zinc/13/80/10/841138010.db2.gz TVSZIUKMLRFELH-HUUCEWRRSA-N 2 1 358.483 -0.969 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001194264734 841137122 /nfs/dbraw/zinc/13/71/22/841137122.db2.gz FGINOSGWOFFMTI-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001194264734 841137115 /nfs/dbraw/zinc/13/71/15/841137115.db2.gz FGINOSGWOFFMTI-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001194264734 841137106 /nfs/dbraw/zinc/13/71/06/841137106.db2.gz FGINOSGWOFFMTI-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001194264734 841137099 /nfs/dbraw/zinc/13/70/99/841137099.db2.gz FGINOSGWOFFMTI-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001194265197 841137328 /nfs/dbraw/zinc/13/73/28/841137328.db2.gz NSEBMASLGZQCCS-ARFHVFGLSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001194265197 841137320 /nfs/dbraw/zinc/13/73/20/841137320.db2.gz NSEBMASLGZQCCS-ARFHVFGLSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001194265197 841137315 /nfs/dbraw/zinc/13/73/15/841137315.db2.gz NSEBMASLGZQCCS-ARFHVFGLSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001194265200 841139249 /nfs/dbraw/zinc/13/92/49/841139249.db2.gz NSEBMASLGZQCCS-BZUAXINKSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001194265200 841139241 /nfs/dbraw/zinc/13/92/41/841139241.db2.gz NSEBMASLGZQCCS-BZUAXINKSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001194265200 841139236 /nfs/dbraw/zinc/13/92/36/841139236.db2.gz NSEBMASLGZQCCS-BZUAXINKSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001194265294 841138811 /nfs/dbraw/zinc/13/88/11/841138811.db2.gz PKACCYHTWIZIJB-RBSFLKMASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001194265294 841138805 /nfs/dbraw/zinc/13/88/05/841138805.db2.gz PKACCYHTWIZIJB-RBSFLKMASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001194265294 841138796 /nfs/dbraw/zinc/13/87/96/841138796.db2.gz PKACCYHTWIZIJB-RBSFLKMASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001194265295 841138723 /nfs/dbraw/zinc/13/87/23/841138723.db2.gz PKACCYHTWIZIJB-RRFJBIMHSA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001194265295 841138716 /nfs/dbraw/zinc/13/87/16/841138716.db2.gz PKACCYHTWIZIJB-RRFJBIMHSA-N 2 1 353.467 -0.864 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001194265295 841138710 /nfs/dbraw/zinc/13/87/10/841138710.db2.gz PKACCYHTWIZIJB-RRFJBIMHSA-N 2 1 353.467 -0.864 20 0 FBADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289209 841144135 /nfs/dbraw/zinc/14/41/35/841144135.db2.gz CYHQCBJUWRKZES-HZPDHXFCSA-N 2 1 352.435 -0.922 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290221 841144332 /nfs/dbraw/zinc/14/43/32/841144332.db2.gz RKVYFDROOXQNDY-ARFHVFGLSA-N 2 1 352.435 -0.924 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290222 841144584 /nfs/dbraw/zinc/14/45/84/841144584.db2.gz RKVYFDROOXQNDY-BZUAXINKSA-N 2 1 352.435 -0.924 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194320965 841141639 /nfs/dbraw/zinc/14/16/39/841141639.db2.gz BEJURJXWKZLSEI-ARFHVFGLSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194320965 841141636 /nfs/dbraw/zinc/14/16/36/841141636.db2.gz BEJURJXWKZLSEI-ARFHVFGLSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320965 841141634 /nfs/dbraw/zinc/14/16/34/841141634.db2.gz BEJURJXWKZLSEI-ARFHVFGLSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194320966 841141539 /nfs/dbraw/zinc/14/15/39/841141539.db2.gz BEJURJXWKZLSEI-BZUAXINKSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194320966 841141536 /nfs/dbraw/zinc/14/15/36/841141536.db2.gz BEJURJXWKZLSEI-BZUAXINKSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320966 841141530 /nfs/dbraw/zinc/14/15/30/841141530.db2.gz BEJURJXWKZLSEI-BZUAXINKSA-N 2 1 357.495 -0.192 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001194321179 841141699 /nfs/dbraw/zinc/14/16/99/841141699.db2.gz MCVAJCMTFHNTFA-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194321179 841141696 /nfs/dbraw/zinc/14/16/96/841141696.db2.gz MCVAJCMTFHNTFA-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001194321179 841141693 /nfs/dbraw/zinc/14/16/93/841141693.db2.gz MCVAJCMTFHNTFA-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001194321179 841141689 /nfs/dbraw/zinc/14/16/89/841141689.db2.gz MCVAJCMTFHNTFA-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001194321180 841140747 /nfs/dbraw/zinc/14/07/47/841140747.db2.gz MCVAJCMTFHNTFA-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194321180 841140738 /nfs/dbraw/zinc/14/07/38/841140738.db2.gz MCVAJCMTFHNTFA-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001194321180 841140723 /nfs/dbraw/zinc/14/07/23/841140723.db2.gz MCVAJCMTFHNTFA-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001194321180 841140713 /nfs/dbraw/zinc/14/07/13/841140713.db2.gz MCVAJCMTFHNTFA-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001194729260 841180344 /nfs/dbraw/zinc/18/03/44/841180344.db2.gz PVKYIHUODMOGKT-ARFHVFGLSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001194729260 841180334 /nfs/dbraw/zinc/18/03/34/841180334.db2.gz PVKYIHUODMOGKT-ARFHVFGLSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001194729261 841179932 /nfs/dbraw/zinc/17/99/32/841179932.db2.gz PVKYIHUODMOGKT-BZUAXINKSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001194729261 841179927 /nfs/dbraw/zinc/17/99/27/841179927.db2.gz PVKYIHUODMOGKT-BZUAXINKSA-N 2 1 352.435 -0.452 20 0 FBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831474 841189940 /nfs/dbraw/zinc/18/99/40/841189940.db2.gz FPVRDFKHEGCRFL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831474 841189933 /nfs/dbraw/zinc/18/99/33/841189933.db2.gz FPVRDFKHEGCRFL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831474 841189926 /nfs/dbraw/zinc/18/99/26/841189926.db2.gz FPVRDFKHEGCRFL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831475 841190572 /nfs/dbraw/zinc/19/05/72/841190572.db2.gz FPVRDFKHEGCRFL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831475 841190568 /nfs/dbraw/zinc/19/05/68/841190568.db2.gz FPVRDFKHEGCRFL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831475 841190565 /nfs/dbraw/zinc/19/05/65/841190565.db2.gz FPVRDFKHEGCRFL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832289 841190595 /nfs/dbraw/zinc/19/05/95/841190595.db2.gz MADIWQZPZFPAQY-DSZOFWSKSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832289 841190591 /nfs/dbraw/zinc/19/05/91/841190591.db2.gz MADIWQZPZFPAQY-DSZOFWSKSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832289 841190588 /nfs/dbraw/zinc/19/05/88/841190588.db2.gz MADIWQZPZFPAQY-DSZOFWSKSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832291 841190366 /nfs/dbraw/zinc/19/03/66/841190366.db2.gz MADIWQZPZFPAQY-YLADIXGZSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832291 841190361 /nfs/dbraw/zinc/19/03/61/841190361.db2.gz MADIWQZPZFPAQY-YLADIXGZSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832291 841190353 /nfs/dbraw/zinc/19/03/53/841190353.db2.gz MADIWQZPZFPAQY-YLADIXGZSA-N 2 1 353.463 -0.564 20 0 FBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192186 /nfs/dbraw/zinc/19/21/86/841192186.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192180 /nfs/dbraw/zinc/19/21/80/841192180.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192173 /nfs/dbraw/zinc/19/21/73/841192173.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192120 /nfs/dbraw/zinc/19/21/20/841192120.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192113 /nfs/dbraw/zinc/19/21/13/841192113.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192108 /nfs/dbraw/zinc/19/21/08/841192108.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194923439 841197908 /nfs/dbraw/zinc/19/79/08/841197908.db2.gz FHQJQXAOKNYKMV-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194923439 841197901 /nfs/dbraw/zinc/19/79/01/841197901.db2.gz FHQJQXAOKNYKMV-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194923445 841197519 /nfs/dbraw/zinc/19/75/19/841197519.db2.gz FHQJQXAOKNYKMV-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194923445 841197514 /nfs/dbraw/zinc/19/75/14/841197514.db2.gz FHQJQXAOKNYKMV-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCCCC1 ZINC001194960701 841201881 /nfs/dbraw/zinc/20/18/81/841201881.db2.gz CLHVIZLIINAMRQ-HZPDHXFCSA-N 2 1 357.495 -0.331 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCCCC1 ZINC001194960701 841201871 /nfs/dbraw/zinc/20/18/71/841201871.db2.gz CLHVIZLIINAMRQ-HZPDHXFCSA-N 2 1 357.495 -0.331 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982751 841207537 /nfs/dbraw/zinc/20/75/37/841207537.db2.gz SASXDMOJPBZLAM-ARFHVFGLSA-N 2 1 357.495 -0.333 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982752 841206888 /nfs/dbraw/zinc/20/68/88/841206888.db2.gz SASXDMOJPBZLAM-BZUAXINKSA-N 2 1 357.495 -0.333 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997182 841208794 /nfs/dbraw/zinc/20/87/94/841208794.db2.gz NRMBDCKDORLEFW-BRWVUGGUSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997182 841208785 /nfs/dbraw/zinc/20/87/85/841208785.db2.gz NRMBDCKDORLEFW-BRWVUGGUSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997182 841208777 /nfs/dbraw/zinc/20/87/77/841208777.db2.gz NRMBDCKDORLEFW-BRWVUGGUSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997183 841208618 /nfs/dbraw/zinc/20/86/18/841208618.db2.gz NRMBDCKDORLEFW-GVDBMIGSSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997183 841208610 /nfs/dbraw/zinc/20/86/10/841208610.db2.gz NRMBDCKDORLEFW-GVDBMIGSSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997183 841208600 /nfs/dbraw/zinc/20/86/00/841208600.db2.gz NRMBDCKDORLEFW-GVDBMIGSSA-N 2 1 357.495 -0.190 20 0 FBADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCCCC1 ZINC001194997465 841208388 /nfs/dbraw/zinc/20/83/88/841208388.db2.gz RJZUMLJYFSCMPQ-IAGOWNOFSA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCCCC1 ZINC001194997465 841208378 /nfs/dbraw/zinc/20/83/78/841208378.db2.gz RJZUMLJYFSCMPQ-IAGOWNOFSA-N 2 1 357.495 -0.189 20 0 FBADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)C1CCCCC1 ZINC001194997465 841208368 /nfs/dbraw/zinc/20/83/68/841208368.db2.gz RJZUMLJYFSCMPQ-IAGOWNOFSA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCCC1 ZINC001195006688 841210827 /nfs/dbraw/zinc/21/08/27/841210827.db2.gz MZYHXZBQJVOYHL-HUUCEWRRSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCCC1 ZINC001195006688 841210818 /nfs/dbraw/zinc/21/08/18/841210818.db2.gz MZYHXZBQJVOYHL-HUUCEWRRSA-N 2 1 350.467 -0.296 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2O)C1 ZINC001195549272 841257301 /nfs/dbraw/zinc/25/73/01/841257301.db2.gz VSWQFUNCJZILKC-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)C1 ZINC001195549272 841257294 /nfs/dbraw/zinc/25/72/94/841257294.db2.gz VSWQFUNCJZILKC-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001195549272 841257284 /nfs/dbraw/zinc/25/72/84/841257284.db2.gz VSWQFUNCJZILKC-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001195549272 841257275 /nfs/dbraw/zinc/25/72/75/841257275.db2.gz VSWQFUNCJZILKC-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2O)C1 ZINC001195549273 841257552 /nfs/dbraw/zinc/25/75/52/841257552.db2.gz VSWQFUNCJZILKC-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)C1 ZINC001195549273 841257543 /nfs/dbraw/zinc/25/75/43/841257543.db2.gz VSWQFUNCJZILKC-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001195549273 841257533 /nfs/dbraw/zinc/25/75/33/841257533.db2.gz VSWQFUNCJZILKC-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001195549273 841257524 /nfs/dbraw/zinc/25/75/24/841257524.db2.gz VSWQFUNCJZILKC-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)CC1 ZINC001195640731 841266072 /nfs/dbraw/zinc/26/60/72/841266072.db2.gz MIEPWRZFRIKXCA-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195661671 841272916 /nfs/dbraw/zinc/27/29/16/841272916.db2.gz UGPVZBLJBSSOJE-HUUCEWRRSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195661671 841272906 /nfs/dbraw/zinc/27/29/06/841272906.db2.gz UGPVZBLJBSSOJE-HUUCEWRRSA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195662068 841272488 /nfs/dbraw/zinc/27/24/88/841272488.db2.gz XSOATEBOUYUJCK-ZIAGYGMSSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195662068 841272475 /nfs/dbraw/zinc/27/24/75/841272475.db2.gz XSOATEBOUYUJCK-ZIAGYGMSSA-N 2 1 351.451 -0.186 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676291 841269134 /nfs/dbraw/zinc/26/91/34/841269134.db2.gz BHSFWTTVTWXOGK-RBSFLKMASA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676293 841268858 /nfs/dbraw/zinc/26/88/58/841268858.db2.gz BHSFWTTVTWXOGK-RRFJBIMHSA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195676784 841269299 /nfs/dbraw/zinc/26/92/99/841269299.db2.gz KOSNRWSFFVHWHI-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195676789 841269473 /nfs/dbraw/zinc/26/94/73/841269473.db2.gz KOSNRWSFFVHWHI-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677478 841269186 /nfs/dbraw/zinc/26/91/86/841269186.db2.gz QSZBABBTWUMNQL-ARFHVFGLSA-N 2 1 357.495 -0.477 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677481 841268989 /nfs/dbraw/zinc/26/89/89/841268989.db2.gz QSZBABBTWUMNQL-BZUAXINKSA-N 2 1 357.495 -0.477 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195678091 841270488 /nfs/dbraw/zinc/27/04/88/841270488.db2.gz YLPVEYSSUQNVDG-IJLUTSLNSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195678091 841270479 /nfs/dbraw/zinc/27/04/79/841270479.db2.gz YLPVEYSSUQNVDG-IJLUTSLNSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195678098 841270133 /nfs/dbraw/zinc/27/01/33/841270133.db2.gz YLPVEYSSUQNVDG-QJPTWQEYSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195678098 841270128 /nfs/dbraw/zinc/27/01/28/841270128.db2.gz YLPVEYSSUQNVDG-QJPTWQEYSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001195678122 841270197 /nfs/dbraw/zinc/27/01/97/841270197.db2.gz YXWPGTNKCLXKOP-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001195678122 841270183 /nfs/dbraw/zinc/27/01/83/841270183.db2.gz YXWPGTNKCLXKOP-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001195678123 841270252 /nfs/dbraw/zinc/27/02/52/841270252.db2.gz YXWPGTNKCLXKOP-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001195678123 841270241 /nfs/dbraw/zinc/27/02/41/841270241.db2.gz YXWPGTNKCLXKOP-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195700397 841273633 /nfs/dbraw/zinc/27/36/33/841273633.db2.gz DHFQHHAEKLDFSS-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195700398 841274015 /nfs/dbraw/zinc/27/40/15/841274015.db2.gz DHFQHHAEKLDFSS-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001195701382 841275317 /nfs/dbraw/zinc/27/53/17/841275317.db2.gz MAOMMKBULSMAFB-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001195701382 841275309 /nfs/dbraw/zinc/27/53/09/841275309.db2.gz MAOMMKBULSMAFB-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195701894 841275121 /nfs/dbraw/zinc/27/51/21/841275121.db2.gz SEKYBGTVGSZRDV-VXGBXAGGSA-N 2 1 368.400 -0.442 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001195708192 841276097 /nfs/dbraw/zinc/27/60/97/841276097.db2.gz HOBDXGPRUIRBDF-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195828126 841285742 /nfs/dbraw/zinc/28/57/42/841285742.db2.gz FPKXIKFZSXQSPA-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195828127 841286281 /nfs/dbraw/zinc/28/62/81/841286281.db2.gz FPKXIKFZSXQSPA-GVDBMIGSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001195829660 841286247 /nfs/dbraw/zinc/28/62/47/841286247.db2.gz SZVCWLDXTILYIO-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001195829660 841286241 /nfs/dbraw/zinc/28/62/41/841286241.db2.gz SZVCWLDXTILYIO-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001195829661 841285844 /nfs/dbraw/zinc/28/58/44/841285844.db2.gz SZVCWLDXTILYIO-GVDBMIGSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001195829661 841285836 /nfs/dbraw/zinc/28/58/36/841285836.db2.gz SZVCWLDXTILYIO-GVDBMIGSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195830208 841285927 /nfs/dbraw/zinc/28/59/27/841285927.db2.gz ZBVAWPFERLYMJX-JHJVBQTASA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195830208 841285917 /nfs/dbraw/zinc/28/59/17/841285917.db2.gz ZBVAWPFERLYMJX-JHJVBQTASA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195830209 841286267 /nfs/dbraw/zinc/28/62/67/841286267.db2.gz ZBVAWPFERLYMJX-YNEHKIRRSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001195830209 841286260 /nfs/dbraw/zinc/28/62/60/841286260.db2.gz ZBVAWPFERLYMJX-YNEHKIRRSA-N 2 1 353.385 -0.197 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195834988 841287989 /nfs/dbraw/zinc/28/79/89/841287989.db2.gz USXMXJQURRUSON-BRWVUGGUSA-N 2 1 357.495 -0.477 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195834989 841287438 /nfs/dbraw/zinc/28/74/38/841287438.db2.gz USXMXJQURRUSON-GVDBMIGSSA-N 2 1 357.495 -0.477 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001195859386 841284965 /nfs/dbraw/zinc/28/49/65/841284965.db2.gz ILASNOCXEXSKLA-CHWSQXEVSA-N 2 1 353.471 -0.916 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001195859386 841284955 /nfs/dbraw/zinc/28/49/55/841284955.db2.gz ILASNOCXEXSKLA-CHWSQXEVSA-N 2 1 353.471 -0.916 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195859953 841285055 /nfs/dbraw/zinc/28/50/55/841285055.db2.gz POIIINUDKRUUDW-IJLUTSLNSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195859954 841284932 /nfs/dbraw/zinc/28/49/32/841284932.db2.gz POIIINUDKRUUDW-QJPTWQEYSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001195860028 841284906 /nfs/dbraw/zinc/28/49/06/841284906.db2.gz SGRTXDLBOMAJOQ-DJIMGWMZSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001195860028 841284900 /nfs/dbraw/zinc/28/49/00/841284900.db2.gz SGRTXDLBOMAJOQ-DJIMGWMZSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001195860029 841285189 /nfs/dbraw/zinc/28/51/89/841285189.db2.gz SGRTXDLBOMAJOQ-USXIJHARSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001195860029 841285179 /nfs/dbraw/zinc/28/51/79/841285179.db2.gz SGRTXDLBOMAJOQ-USXIJHARSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195860209 841284784 /nfs/dbraw/zinc/28/47/84/841284784.db2.gz UCMFVTGDQWNRJY-GHMZBOCLSA-N 2 1 354.373 -0.832 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195860261 841285092 /nfs/dbraw/zinc/28/50/92/841285092.db2.gz UTHZHQGCLYFKHB-BRWVUGGUSA-N 2 1 353.438 -0.158 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195860266 841284999 /nfs/dbraw/zinc/28/49/99/841284999.db2.gz UTHZHQGCLYFKHB-GVDBMIGSSA-N 2 1 353.438 -0.158 20 0 FBADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195871629 841290415 /nfs/dbraw/zinc/29/04/15/841290415.db2.gz QTAASRKAMBOTEN-BRWVUGGUSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195871629 841290409 /nfs/dbraw/zinc/29/04/09/841290409.db2.gz QTAASRKAMBOTEN-BRWVUGGUSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195871630 841290570 /nfs/dbraw/zinc/29/05/70/841290570.db2.gz QTAASRKAMBOTEN-IXDOHACOSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195871630 841290566 /nfs/dbraw/zinc/29/05/66/841290566.db2.gz QTAASRKAMBOTEN-IXDOHACOSA-N 2 1 351.447 -0.158 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2cccs2)C[C@H]1O ZINC001195871681 841290372 /nfs/dbraw/zinc/29/03/72/841290372.db2.gz SKSOLJBEZGWYPH-FVQBIDKESA-N 2 1 371.503 -0.261 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2cccs2)C[C@H]1O ZINC001195871683 841291166 /nfs/dbraw/zinc/29/11/66/841291166.db2.gz SKSOLJBEZGWYPH-NUEKZKHPSA-N 2 1 371.503 -0.261 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001195871692 841291257 /nfs/dbraw/zinc/29/12/57/841291257.db2.gz SUCOWRMBHZAMEF-FVQBIDKESA-N 2 1 355.435 -0.730 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001195871694 841291076 /nfs/dbraw/zinc/29/10/76/841291076.db2.gz SUCOWRMBHZAMEF-NUEKZKHPSA-N 2 1 355.435 -0.730 20 0 FBADMP COCCOC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893926 841288427 /nfs/dbraw/zinc/28/84/27/841288427.db2.gz NYMOVSFJNDJKTF-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893926 841288415 /nfs/dbraw/zinc/28/84/15/841288415.db2.gz NYMOVSFJNDJKTF-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893926 841288406 /nfs/dbraw/zinc/28/84/06/841288406.db2.gz NYMOVSFJNDJKTF-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893927 841289368 /nfs/dbraw/zinc/28/93/68/841289368.db2.gz NYMOVSFJNDJKTF-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893927 841289361 /nfs/dbraw/zinc/28/93/61/841289361.db2.gz NYMOVSFJNDJKTF-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893927 841289351 /nfs/dbraw/zinc/28/93/51/841289351.db2.gz NYMOVSFJNDJKTF-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCN(C)S(C)(=O)=O)CC2)CC[NH+]1C ZINC001195894426 841289219 /nfs/dbraw/zinc/28/92/19/841289219.db2.gz XENZXCNZTSOHMN-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCN(C)S(C)(=O)=O)CC2)CC[NH+]1C ZINC001195894426 841289210 /nfs/dbraw/zinc/28/92/10/841289210.db2.gz XENZXCNZTSOHMN-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN(C)S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001195894426 841289201 /nfs/dbraw/zinc/28/92/01/841289201.db2.gz XENZXCNZTSOHMN-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN(C)S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001195894426 841289189 /nfs/dbraw/zinc/28/91/89/841289189.db2.gz XENZXCNZTSOHMN-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](C)C ZINC001195972374 841296965 /nfs/dbraw/zinc/29/69/65/841296965.db2.gz BJHSZNQBJONLJP-BFYDXBDKSA-N 2 1 350.463 -0.367 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195980626 841298406 /nfs/dbraw/zinc/29/84/06/841298406.db2.gz ATNNLJFBPDTTJA-BZUAXINKSA-N 2 1 352.483 -0.358 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195980626 841298397 /nfs/dbraw/zinc/29/83/97/841298397.db2.gz ATNNLJFBPDTTJA-BZUAXINKSA-N 2 1 352.483 -0.358 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001195981580 841297949 /nfs/dbraw/zinc/29/79/49/841297949.db2.gz WGCGPJDBCUUQKG-BFYDXBDKSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001195981580 841297940 /nfs/dbraw/zinc/29/79/40/841297940.db2.gz WGCGPJDBCUUQKG-BFYDXBDKSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133669 841315976 /nfs/dbraw/zinc/31/59/76/841315976.db2.gz XKMUXVWIQZKWON-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133669 841315963 /nfs/dbraw/zinc/31/59/63/841315963.db2.gz XKMUXVWIQZKWON-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133676 841315892 /nfs/dbraw/zinc/31/58/92/841315892.db2.gz XKMUXVWIQZKWON-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133676 841315880 /nfs/dbraw/zinc/31/58/80/841315880.db2.gz XKMUXVWIQZKWON-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133799 841316820 /nfs/dbraw/zinc/31/68/20/841316820.db2.gz YPXJGUKSPYSCMK-QLFBSQMISA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133799 841316811 /nfs/dbraw/zinc/31/68/11/841316811.db2.gz YPXJGUKSPYSCMK-QLFBSQMISA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133811 841316234 /nfs/dbraw/zinc/31/62/34/841316234.db2.gz YPXJGUKSPYSCMK-RBSFLKMASA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196133811 841316224 /nfs/dbraw/zinc/31/62/24/841316224.db2.gz YPXJGUKSPYSCMK-RBSFLKMASA-N 2 1 355.483 -0.707 20 0 FBADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001196177055 841323914 /nfs/dbraw/zinc/32/39/14/841323914.db2.gz RLQDQMNZOMBYCV-CKEIUWERSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001196177055 841323902 /nfs/dbraw/zinc/32/39/02/841323902.db2.gz RLQDQMNZOMBYCV-CKEIUWERSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196177055 841323888 /nfs/dbraw/zinc/32/38/88/841323888.db2.gz RLQDQMNZOMBYCV-CKEIUWERSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196177055 841323877 /nfs/dbraw/zinc/32/38/77/841323877.db2.gz RLQDQMNZOMBYCV-CKEIUWERSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001196177056 841325172 /nfs/dbraw/zinc/32/51/72/841325172.db2.gz RLQDQMNZOMBYCV-CPUCHLNUSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001196177056 841325161 /nfs/dbraw/zinc/32/51/61/841325161.db2.gz RLQDQMNZOMBYCV-CPUCHLNUSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196177056 841325147 /nfs/dbraw/zinc/32/51/47/841325147.db2.gz RLQDQMNZOMBYCV-CPUCHLNUSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196177056 841325135 /nfs/dbraw/zinc/32/51/35/841325135.db2.gz RLQDQMNZOMBYCV-CPUCHLNUSA-N 2 1 361.458 -0.631 20 0 FBADMP CN1CCC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1=O ZINC001196206844 841328750 /nfs/dbraw/zinc/32/87/50/841328750.db2.gz HUYCXVYVMXLIBP-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1=O ZINC001196206844 841328739 /nfs/dbraw/zinc/32/87/39/841328739.db2.gz HUYCXVYVMXLIBP-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196206844 841328727 /nfs/dbraw/zinc/32/87/27/841328727.db2.gz HUYCXVYVMXLIBP-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196206844 841328714 /nfs/dbraw/zinc/32/87/14/841328714.db2.gz HUYCXVYVMXLIBP-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1=O ZINC001196206846 841328878 /nfs/dbraw/zinc/32/88/78/841328878.db2.gz HUYCXVYVMXLIBP-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1=O ZINC001196206846 841328867 /nfs/dbraw/zinc/32/88/67/841328867.db2.gz HUYCXVYVMXLIBP-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196206846 841328863 /nfs/dbraw/zinc/32/88/63/841328863.db2.gz HUYCXVYVMXLIBP-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196206846 841328850 /nfs/dbraw/zinc/32/88/50/841328850.db2.gz HUYCXVYVMXLIBP-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001196276651 841339708 /nfs/dbraw/zinc/33/97/08/841339708.db2.gz RFTYSGDFGQVHKN-OWCLPIDISA-N 2 1 352.483 -0.050 20 0 FBADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637046 841379056 /nfs/dbraw/zinc/37/90/56/841379056.db2.gz HSLJEGKFXWEORP-BZUAXINKSA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637046 841379046 /nfs/dbraw/zinc/37/90/46/841379046.db2.gz HSLJEGKFXWEORP-BZUAXINKSA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637059 841380688 /nfs/dbraw/zinc/38/06/88/841380688.db2.gz HSLJEGKFXWEORP-OWCLPIDISA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637059 841380676 /nfs/dbraw/zinc/38/06/76/841380676.db2.gz HSLJEGKFXWEORP-OWCLPIDISA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196797941 841392331 /nfs/dbraw/zinc/39/23/31/841392331.db2.gz HZGRZHYPTJALNI-FVQBIDKESA-N 2 1 353.467 -0.619 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196797943 841392116 /nfs/dbraw/zinc/39/21/16/841392116.db2.gz HZGRZHYPTJALNI-NUEKZKHPSA-N 2 1 353.467 -0.619 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196803924 841393038 /nfs/dbraw/zinc/39/30/38/841393038.db2.gz PYTXFUWGSUECDM-HZPDHXFCSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196803924 841393026 /nfs/dbraw/zinc/39/30/26/841393026.db2.gz PYTXFUWGSUECDM-HZPDHXFCSA-N 2 1 353.467 -0.355 20 0 FBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804032 841393072 /nfs/dbraw/zinc/39/30/72/841393072.db2.gz SLGMJWKTCGOYPG-HZPDHXFCSA-N 2 1 353.467 -0.354 20 0 FBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804391 841393945 /nfs/dbraw/zinc/39/39/45/841393945.db2.gz WFWFEIZQXHJNFA-HZPDHXFCSA-N 2 1 353.467 -0.354 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920416 841403956 /nfs/dbraw/zinc/40/39/56/841403956.db2.gz WIMMTKALQAVQQD-BRWVUGGUSA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920417 841404130 /nfs/dbraw/zinc/40/41/30/841404130.db2.gz WIMMTKALQAVQQD-GVDBMIGSSA-N 2 1 351.447 -0.470 20 0 FBADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cc1 ZINC001196939873 841410448 /nfs/dbraw/zinc/41/04/48/841410448.db2.gz MEDSBKLXLWMFRN-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cc1 ZINC001196939873 841410445 /nfs/dbraw/zinc/41/04/45/841410445.db2.gz MEDSBKLXLWMFRN-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP Cc1ncsc1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939985 841410610 /nfs/dbraw/zinc/41/06/10/841410610.db2.gz PLYBJTPVVQGHNF-ZIAGYGMSSA-N 2 1 354.476 -0.165 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196940447 841410508 /nfs/dbraw/zinc/41/05/08/841410508.db2.gz SZLNUWJYVBZBPC-BRWVUGGUSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196940447 841410505 /nfs/dbraw/zinc/41/05/05/841410505.db2.gz SZLNUWJYVBZBPC-BRWVUGGUSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCCN1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196940447 841410501 /nfs/dbraw/zinc/41/05/01/841410501.db2.gz SZLNUWJYVBZBPC-BRWVUGGUSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196940448 841410040 /nfs/dbraw/zinc/41/00/40/841410040.db2.gz SZLNUWJYVBZBPC-GVDBMIGSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196940448 841410035 /nfs/dbraw/zinc/41/00/35/841410035.db2.gz SZLNUWJYVBZBPC-GVDBMIGSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCCN1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196940448 841410028 /nfs/dbraw/zinc/41/00/28/841410028.db2.gz SZLNUWJYVBZBPC-GVDBMIGSSA-N 2 1 355.479 -0.313 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940473 841410143 /nfs/dbraw/zinc/41/01/43/841410143.db2.gz UUOUWRGHRDWHES-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001196940473 841410136 /nfs/dbraw/zinc/41/01/36/841410136.db2.gz UUOUWRGHRDWHES-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940474 841410074 /nfs/dbraw/zinc/41/00/74/841410074.db2.gz UUOUWRGHRDWHES-GVDBMIGSSA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001196940474 841410067 /nfs/dbraw/zinc/41/00/67/841410067.db2.gz UUOUWRGHRDWHES-GVDBMIGSSA-N 2 1 357.495 -0.189 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001196946689 841411869 /nfs/dbraw/zinc/41/18/69/841411869.db2.gz OYPIYCDYOARHOO-BRWVUGGUSA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CCN1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001196946689 841411860 /nfs/dbraw/zinc/41/18/60/841411860.db2.gz OYPIYCDYOARHOO-BRWVUGGUSA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001196946690 841411233 /nfs/dbraw/zinc/41/12/33/841411233.db2.gz OYPIYCDYOARHOO-GVDBMIGSSA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CCN1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001196946690 841411226 /nfs/dbraw/zinc/41/12/26/841411226.db2.gz OYPIYCDYOARHOO-GVDBMIGSSA-N 2 1 355.479 -0.171 20 0 FBADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196953622 841413329 /nfs/dbraw/zinc/41/33/29/841413329.db2.gz GGIBJZCIXVLHFG-BHUNQDJPSA-N 2 1 355.479 -0.315 20 0 FBADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196953622 841413323 /nfs/dbraw/zinc/41/33/23/841413323.db2.gz GGIBJZCIXVLHFG-BHUNQDJPSA-N 2 1 355.479 -0.315 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001196953721 841413389 /nfs/dbraw/zinc/41/33/89/841413389.db2.gz ILHJOTAJOYBHTP-BRWVUGGUSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001196953721 841413385 /nfs/dbraw/zinc/41/33/85/841413385.db2.gz ILHJOTAJOYBHTP-BRWVUGGUSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001196953722 841413065 /nfs/dbraw/zinc/41/30/65/841413065.db2.gz ILHJOTAJOYBHTP-GVDBMIGSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001196953722 841413057 /nfs/dbraw/zinc/41/30/57/841413057.db2.gz ILHJOTAJOYBHTP-GVDBMIGSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196954004 841412680 /nfs/dbraw/zinc/41/26/80/841412680.db2.gz MWYAFLWWCNXTFT-IAGOWNOFSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196954004 841412676 /nfs/dbraw/zinc/41/26/76/841412676.db2.gz MWYAFLWWCNXTFT-IAGOWNOFSA-N 2 1 355.479 -0.313 20 0 FBADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001196954199 841412562 /nfs/dbraw/zinc/41/25/62/841412562.db2.gz SGJYAMJSODGJFQ-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001196954199 841412556 /nfs/dbraw/zinc/41/25/56/841412556.db2.gz SGJYAMJSODGJFQ-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001196954201 841413453 /nfs/dbraw/zinc/41/34/53/841413453.db2.gz SGJYAMJSODGJFQ-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001196954201 841413449 /nfs/dbraw/zinc/41/34/49/841413449.db2.gz SGJYAMJSODGJFQ-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001196954356 841412791 /nfs/dbraw/zinc/41/27/91/841412791.db2.gz WOYCFIXKQDJPOV-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001196954356 841412788 /nfs/dbraw/zinc/41/27/88/841412788.db2.gz WOYCFIXKQDJPOV-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001196954357 841412863 /nfs/dbraw/zinc/41/28/63/841412863.db2.gz WOYCFIXKQDJPOV-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001196954357 841412858 /nfs/dbraw/zinc/41/28/58/841412858.db2.gz WOYCFIXKQDJPOV-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196954408 841412646 /nfs/dbraw/zinc/41/26/46/841412646.db2.gz XEGAWHGYUNUPFJ-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196954408 841412641 /nfs/dbraw/zinc/41/26/41/841412641.db2.gz XEGAWHGYUNUPFJ-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196954410 841413147 /nfs/dbraw/zinc/41/31/47/841413147.db2.gz XEGAWHGYUNUPFJ-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001196954410 841413143 /nfs/dbraw/zinc/41/31/43/841413143.db2.gz XEGAWHGYUNUPFJ-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197009411 841416762 /nfs/dbraw/zinc/41/67/62/841416762.db2.gz DDVCJCHXFPPXQQ-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197009411 841416756 /nfs/dbraw/zinc/41/67/56/841416756.db2.gz DDVCJCHXFPPXQQ-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001197009411 841416750 /nfs/dbraw/zinc/41/67/50/841416750.db2.gz DDVCJCHXFPPXQQ-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001197009411 841416743 /nfs/dbraw/zinc/41/67/43/841416743.db2.gz DDVCJCHXFPPXQQ-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C(C)C ZINC001197018142 841421666 /nfs/dbraw/zinc/42/16/66/841421666.db2.gz NHNRKYMGEDTNAE-BZUAXINKSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C(C)C ZINC001197018142 841421661 /nfs/dbraw/zinc/42/16/61/841421661.db2.gz NHNRKYMGEDTNAE-BZUAXINKSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C(C)C ZINC001197018143 841421190 /nfs/dbraw/zinc/42/11/90/841421190.db2.gz NHNRKYMGEDTNAE-OAGGEKHMSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C(C)C ZINC001197018143 841421182 /nfs/dbraw/zinc/42/11/82/841421182.db2.gz NHNRKYMGEDTNAE-OAGGEKHMSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197049102 841418682 /nfs/dbraw/zinc/41/86/82/841418682.db2.gz JTBDOCKJQYYUKK-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058391 841419878 /nfs/dbraw/zinc/41/98/78/841419878.db2.gz RKAHTEPPIBAXRX-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058392 841420407 /nfs/dbraw/zinc/42/04/07/841420407.db2.gz RKAHTEPPIBAXRX-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001197319359 841446426 /nfs/dbraw/zinc/44/64/26/841446426.db2.gz BEKKGHGTCPHTEY-HZPDHXFCSA-N 2 1 368.503 -0.042 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001197319359 841446425 /nfs/dbraw/zinc/44/64/25/841446425.db2.gz BEKKGHGTCPHTEY-HZPDHXFCSA-N 2 1 368.503 -0.042 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001197319362 841446421 /nfs/dbraw/zinc/44/64/21/841446421.db2.gz BGVGRRVRLXPHOZ-HZPDHXFCSA-N 2 1 351.451 -0.845 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001197319362 841446417 /nfs/dbraw/zinc/44/64/17/841446417.db2.gz BGVGRRVRLXPHOZ-HZPDHXFCSA-N 2 1 351.451 -0.845 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001197319415 841445803 /nfs/dbraw/zinc/44/58/03/841445803.db2.gz FDDOWCATHDXKKA-DJIMGWMZSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001197319416 841446381 /nfs/dbraw/zinc/44/63/81/841446381.db2.gz FDDOWCATHDXKKA-USXIJHARSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001197319430 841446396 /nfs/dbraw/zinc/44/63/96/841446396.db2.gz GEQILQFCDGQMRD-IAGOWNOFSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319480 841446401 /nfs/dbraw/zinc/44/64/01/841446401.db2.gz JMVINZVBGXGVLV-DJIMGWMZSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319481 841446135 /nfs/dbraw/zinc/44/61/35/841446135.db2.gz JMVINZVBGXGVLV-USXIJHARSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001197319637 841446317 /nfs/dbraw/zinc/44/63/17/841446317.db2.gz MQTQHTHWKGJADJ-ZIAGYGMSSA-N 2 1 365.421 -0.460 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001197319637 841446314 /nfs/dbraw/zinc/44/63/14/841446314.db2.gz MQTQHTHWKGJADJ-ZIAGYGMSSA-N 2 1 365.421 -0.460 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319649 841445982 /nfs/dbraw/zinc/44/59/82/841445982.db2.gz NDJKQZLZRNPOPL-BRWVUGGUSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319650 841446159 /nfs/dbraw/zinc/44/61/59/841446159.db2.gz NDJKQZLZRNPOPL-GVDBMIGSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001197319686 841446091 /nfs/dbraw/zinc/44/60/91/841446091.db2.gz OTOQMDFAJBBAER-IAGOWNOFSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001197320053 841446447 /nfs/dbraw/zinc/44/64/47/841446447.db2.gz UNEMHLXKTGHFMV-IAGOWNOFSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001197320053 841446445 /nfs/dbraw/zinc/44/64/45/841446445.db2.gz UNEMHLXKTGHFMV-IAGOWNOFSA-N 2 1 355.479 -0.315 20 0 FBADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320089 841445919 /nfs/dbraw/zinc/44/59/19/841445919.db2.gz VNJQAXCPYLDZPD-IAGOWNOFSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320089 841445910 /nfs/dbraw/zinc/44/59/10/841445910.db2.gz VNJQAXCPYLDZPD-IAGOWNOFSA-N 2 1 357.495 -0.069 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320368 841445754 /nfs/dbraw/zinc/44/57/54/841445754.db2.gz YJWNWELZGKLUTB-DJIMGWMZSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320369 841447199 /nfs/dbraw/zinc/44/71/99/841447199.db2.gz YJWNWELZGKLUTB-USXIJHARSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404006 841455832 /nfs/dbraw/zinc/45/58/32/841455832.db2.gz MLXFYTRLRGDLED-IAGOWNOFSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404006 841455827 /nfs/dbraw/zinc/45/58/27/841455827.db2.gz MLXFYTRLRGDLED-IAGOWNOFSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462724 /nfs/dbraw/zinc/46/27/24/841462724.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462719 /nfs/dbraw/zinc/46/27/19/841462719.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462711 /nfs/dbraw/zinc/46/27/11/841462711.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001197536031 841465558 /nfs/dbraw/zinc/46/55/58/841465558.db2.gz HSZSIHOGAPYXBL-VXGBXAGGSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001197536031 841465553 /nfs/dbraw/zinc/46/55/53/841465553.db2.gz HSZSIHOGAPYXBL-VXGBXAGGSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001197536031 841465544 /nfs/dbraw/zinc/46/55/44/841465544.db2.gz HSZSIHOGAPYXBL-VXGBXAGGSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536098 841466568 /nfs/dbraw/zinc/46/65/68/841466568.db2.gz JFLSTDFLABMFPU-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536098 841466566 /nfs/dbraw/zinc/46/65/66/841466566.db2.gz JFLSTDFLABMFPU-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536098 841466562 /nfs/dbraw/zinc/46/65/62/841466562.db2.gz JFLSTDFLABMFPU-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536099 841466343 /nfs/dbraw/zinc/46/63/43/841466343.db2.gz JFLSTDFLABMFPU-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536099 841466340 /nfs/dbraw/zinc/46/63/40/841466340.db2.gz JFLSTDFLABMFPU-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536099 841466334 /nfs/dbraw/zinc/46/63/34/841466334.db2.gz JFLSTDFLABMFPU-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001197536564 841467752 /nfs/dbraw/zinc/46/77/52/841467752.db2.gz WQFSRGXFNBHYEP-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001197536564 841467747 /nfs/dbraw/zinc/46/77/47/841467747.db2.gz WQFSRGXFNBHYEP-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001197536564 841467744 /nfs/dbraw/zinc/46/77/44/841467744.db2.gz WQFSRGXFNBHYEP-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001197536564 841467740 /nfs/dbraw/zinc/46/77/40/841467740.db2.gz WQFSRGXFNBHYEP-ZIAGYGMSSA-N 2 1 357.499 -0.413 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644078 841477493 /nfs/dbraw/zinc/47/74/93/841477493.db2.gz IAWIMFVDXZHABO-BRWVUGGUSA-N 2 1 355.479 -0.723 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644082 841477914 /nfs/dbraw/zinc/47/79/14/841477914.db2.gz IAWIMFVDXZHABO-GVDBMIGSSA-N 2 1 355.479 -0.723 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001197644803 841477372 /nfs/dbraw/zinc/47/73/72/841477372.db2.gz SMXUQCMNPBJARH-IAGOWNOFSA-N 2 1 355.479 -0.721 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001197644803 841477366 /nfs/dbraw/zinc/47/73/66/841477366.db2.gz SMXUQCMNPBJARH-IAGOWNOFSA-N 2 1 355.479 -0.721 20 0 FBADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197657563 841479271 /nfs/dbraw/zinc/47/92/71/841479271.db2.gz JWRMUTGIUPVRIX-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197657563 841479267 /nfs/dbraw/zinc/47/92/67/841479267.db2.gz JWRMUTGIUPVRIX-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001197657563 841479264 /nfs/dbraw/zinc/47/92/64/841479264.db2.gz JWRMUTGIUPVRIX-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001197657563 841479261 /nfs/dbraw/zinc/47/92/61/841479261.db2.gz JWRMUTGIUPVRIX-BRWVUGGUSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197657569 841478760 /nfs/dbraw/zinc/47/87/60/841478760.db2.gz JWRMUTGIUPVRIX-IXDOHACOSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197657569 841478753 /nfs/dbraw/zinc/47/87/53/841478753.db2.gz JWRMUTGIUPVRIX-IXDOHACOSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001197657569 841478742 /nfs/dbraw/zinc/47/87/42/841478742.db2.gz JWRMUTGIUPVRIX-IXDOHACOSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001197657569 841478736 /nfs/dbraw/zinc/47/87/36/841478736.db2.gz JWRMUTGIUPVRIX-IXDOHACOSA-N 2 1 357.495 -0.189 20 0 FBADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)s1 ZINC001197781987 841494207 /nfs/dbraw/zinc/49/42/07/841494207.db2.gz CVZHBMRGACWEFR-ZIAGYGMSSA-N 2 1 356.492 -0.001 20 0 FBADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)s1 ZINC001197781987 841494206 /nfs/dbraw/zinc/49/42/06/841494206.db2.gz CVZHBMRGACWEFR-ZIAGYGMSSA-N 2 1 356.492 -0.001 20 0 FBADMP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197782992 841495457 /nfs/dbraw/zinc/49/54/57/841495457.db2.gz MDEJURLVCHEZKR-IAGOWNOFSA-N 2 1 351.447 -0.065 20 0 FBADMP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197782992 841495450 /nfs/dbraw/zinc/49/54/50/841495450.db2.gz MDEJURLVCHEZKR-IAGOWNOFSA-N 2 1 351.447 -0.065 20 0 FBADMP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197783649 841495059 /nfs/dbraw/zinc/49/50/59/841495059.db2.gz PPRYGOUXLRDZPD-IAGOWNOFSA-N 2 1 351.447 -0.065 20 0 FBADMP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197783649 841495053 /nfs/dbraw/zinc/49/50/53/841495053.db2.gz PPRYGOUXLRDZPD-IAGOWNOFSA-N 2 1 351.447 -0.065 20 0 FBADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)n1 ZINC001197784438 841495272 /nfs/dbraw/zinc/49/52/72/841495272.db2.gz WYGBSYQXZKPCQS-IAGOWNOFSA-N 2 1 350.463 -0.062 20 0 FBADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)n1 ZINC001197784438 841495267 /nfs/dbraw/zinc/49/52/67/841495267.db2.gz WYGBSYQXZKPCQS-IAGOWNOFSA-N 2 1 350.463 -0.062 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197791105 841495540 /nfs/dbraw/zinc/49/55/40/841495540.db2.gz ABUVYXPKFCKFKI-CHWSQXEVSA-N 2 1 371.400 -0.305 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197791236 841495137 /nfs/dbraw/zinc/49/51/37/841495137.db2.gz DHQYWCIIJPYXQF-RBSFLKMASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197791236 841495133 /nfs/dbraw/zinc/49/51/33/841495133.db2.gz DHQYWCIIJPYXQF-RBSFLKMASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197791236 841495129 /nfs/dbraw/zinc/49/51/29/841495129.db2.gz DHQYWCIIJPYXQF-RBSFLKMASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197791236 841495126 /nfs/dbraw/zinc/49/51/26/841495126.db2.gz DHQYWCIIJPYXQF-RBSFLKMASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197791237 841495333 /nfs/dbraw/zinc/49/53/33/841495333.db2.gz DHQYWCIIJPYXQF-RRFJBIMHSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197791237 841495327 /nfs/dbraw/zinc/49/53/27/841495327.db2.gz DHQYWCIIJPYXQF-RRFJBIMHSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791237 841495321 /nfs/dbraw/zinc/49/53/21/841495321.db2.gz DHQYWCIIJPYXQF-RRFJBIMHSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791237 841495316 /nfs/dbraw/zinc/49/53/16/841495316.db2.gz DHQYWCIIJPYXQF-RRFJBIMHSA-N 2 1 355.483 -0.803 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819925 841502815 /nfs/dbraw/zinc/50/28/15/841502815.db2.gz QPXYOGQXZQLASG-IJLUTSLNSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819925 841502807 /nfs/dbraw/zinc/50/28/07/841502807.db2.gz QPXYOGQXZQLASG-IJLUTSLNSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819927 841502754 /nfs/dbraw/zinc/50/27/54/841502754.db2.gz QPXYOGQXZQLASG-QJPTWQEYSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819927 841502741 /nfs/dbraw/zinc/50/27/41/841502741.db2.gz QPXYOGQXZQLASG-QJPTWQEYSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820011 841503033 /nfs/dbraw/zinc/50/30/33/841503033.db2.gz SUIZOHZAWNXQFZ-ARFHVFGLSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820012 841502946 /nfs/dbraw/zinc/50/29/46/841502946.db2.gz SUIZOHZAWNXQFZ-BZUAXINKSA-N 2 1 353.463 -0.561 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820139 841503237 /nfs/dbraw/zinc/50/32/37/841503237.db2.gz WESPRNLZMMTQJJ-ARFHVFGLSA-N 2 1 355.479 -0.723 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820140 841502880 /nfs/dbraw/zinc/50/28/80/841502880.db2.gz WESPRNLZMMTQJJ-BZUAXINKSA-N 2 1 355.479 -0.723 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820176 841502700 /nfs/dbraw/zinc/50/27/00/841502700.db2.gz WTTAUKNJAPCHRP-ARFHVFGLSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820176 841502696 /nfs/dbraw/zinc/50/26/96/841502696.db2.gz WTTAUKNJAPCHRP-ARFHVFGLSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820177 841503557 /nfs/dbraw/zinc/50/35/57/841503557.db2.gz WTTAUKNJAPCHRP-BZUAXINKSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820177 841503553 /nfs/dbraw/zinc/50/35/53/841503553.db2.gz WTTAUKNJAPCHRP-BZUAXINKSA-N 2 1 353.463 -0.561 20 0 FBADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197825210 841503593 /nfs/dbraw/zinc/50/35/93/841503593.db2.gz BFISPHSCMADTJG-HZPDHXFCSA-N 2 1 353.467 -0.761 20 0 FBADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197825210 841503587 /nfs/dbraw/zinc/50/35/87/841503587.db2.gz BFISPHSCMADTJG-HZPDHXFCSA-N 2 1 353.467 -0.761 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001197825381 841503283 /nfs/dbraw/zinc/50/32/83/841503283.db2.gz CJOZKPYBKMYMME-IAGOWNOFSA-N 2 1 351.447 -0.582 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001197825381 841503276 /nfs/dbraw/zinc/50/32/76/841503276.db2.gz CJOZKPYBKMYMME-IAGOWNOFSA-N 2 1 351.447 -0.582 20 0 FBADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825402 841503101 /nfs/dbraw/zinc/50/31/01/841503101.db2.gz CUKBYBQWTSTNTG-ZIAGYGMSSA-N 2 1 356.492 -0.266 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001197825708 841503471 /nfs/dbraw/zinc/50/34/71/841503471.db2.gz GRCLHPIPCLLPHT-IAGOWNOFSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001197825837 841505020 /nfs/dbraw/zinc/50/50/20/841505020.db2.gz JEVHJTOOJGCDRP-BRWVUGGUSA-N 2 1 351.447 -0.541 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001197825837 841505009 /nfs/dbraw/zinc/50/50/09/841505009.db2.gz JEVHJTOOJGCDRP-BRWVUGGUSA-N 2 1 351.447 -0.541 20 0 FBADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825987 841504978 /nfs/dbraw/zinc/50/49/78/841504978.db2.gz KKJRTMMYWIYLMX-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825988 841504554 /nfs/dbraw/zinc/50/45/54/841504554.db2.gz KKJRTMMYWIYLMX-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197826054 841504421 /nfs/dbraw/zinc/50/44/21/841504421.db2.gz OFXOTHLDRDRVHA-ZIAGYGMSSA-N 2 1 355.439 -0.950 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197826054 841504412 /nfs/dbraw/zinc/50/44/12/841504412.db2.gz OFXOTHLDRDRVHA-ZIAGYGMSSA-N 2 1 355.439 -0.950 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001197826055 841504616 /nfs/dbraw/zinc/50/46/16/841504616.db2.gz OIQOCCMACOSOSN-IAGOWNOFSA-N 2 1 351.447 -0.195 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001197826055 841504609 /nfs/dbraw/zinc/50/46/09/841504609.db2.gz OIQOCCMACOSOSN-IAGOWNOFSA-N 2 1 351.447 -0.195 20 0 FBADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197826223 841504111 /nfs/dbraw/zinc/50/41/11/841504111.db2.gz RESJPZDLRRLWKT-HZPDHXFCSA-N 2 1 353.467 -0.815 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001197826244 841504730 /nfs/dbraw/zinc/50/47/30/841504730.db2.gz SCEVLAJKSIZIKS-BRWVUGGUSA-N 2 1 357.495 -0.333 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001197826245 841505260 /nfs/dbraw/zinc/50/52/60/841505260.db2.gz SCEVLAJKSIZIKS-IXDOHACOSA-N 2 1 357.495 -0.333 20 0 FBADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cs1 ZINC001197826426 841504821 /nfs/dbraw/zinc/50/48/21/841504821.db2.gz WTEUKCGEGAJLRS-HUUCEWRRSA-N 2 1 356.492 -0.266 20 0 FBADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cs1 ZINC001197826426 841504814 /nfs/dbraw/zinc/50/48/14/841504814.db2.gz WTEUKCGEGAJLRS-HUUCEWRRSA-N 2 1 356.492 -0.266 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197826459 841504801 /nfs/dbraw/zinc/50/48/01/841504801.db2.gz YGCYBEMIHAIWFM-IJLUTSLNSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197826459 841504792 /nfs/dbraw/zinc/50/47/92/841504792.db2.gz YGCYBEMIHAIWFM-IJLUTSLNSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197826460 841504840 /nfs/dbraw/zinc/50/48/40/841504840.db2.gz YGCYBEMIHAIWFM-QJPTWQEYSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197826460 841504833 /nfs/dbraw/zinc/50/48/33/841504833.db2.gz YGCYBEMIHAIWFM-QJPTWQEYSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001197826466 841504641 /nfs/dbraw/zinc/50/46/41/841504641.db2.gz YKCNTEWGDGLWEC-JHJVBQTASA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001197826466 841504631 /nfs/dbraw/zinc/50/46/31/841504631.db2.gz YKCNTEWGDGLWEC-JHJVBQTASA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001197826467 841504869 /nfs/dbraw/zinc/50/48/69/841504869.db2.gz YKCNTEWGDGLWEC-UPJWGTAASA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001197826467 841504859 /nfs/dbraw/zinc/50/48/59/841504859.db2.gz YKCNTEWGDGLWEC-UPJWGTAASA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001197926132 841510096 /nfs/dbraw/zinc/51/00/96/841510096.db2.gz FJLHOWYREVAKIH-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197926620 841509851 /nfs/dbraw/zinc/50/98/51/841509851.db2.gz QOYHLPRMDIBXOZ-ARFHVFGLSA-N 2 1 353.467 -0.863 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197926621 841510242 /nfs/dbraw/zinc/51/02/42/841510242.db2.gz QOYHLPRMDIBXOZ-BZUAXINKSA-N 2 1 353.467 -0.863 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197926636 841510484 /nfs/dbraw/zinc/51/04/84/841510484.db2.gz RFSDEHZMXSPGPW-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197926636 841510477 /nfs/dbraw/zinc/51/04/77/841510477.db2.gz RFSDEHZMXSPGPW-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1=O ZINC001197941984 841513174 /nfs/dbraw/zinc/51/31/74/841513174.db2.gz SQVPNYZEUZQQRH-HZPDHXFCSA-N 2 1 350.463 -0.222 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948799 841512796 /nfs/dbraw/zinc/51/27/96/841512796.db2.gz MCZFPRJOTRWCDT-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948799 841512788 /nfs/dbraw/zinc/51/27/88/841512788.db2.gz MCZFPRJOTRWCDT-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949290 841513380 /nfs/dbraw/zinc/51/33/80/841513380.db2.gz QOEJVDAXPUQJQP-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949293 841512492 /nfs/dbraw/zinc/51/24/92/841512492.db2.gz QOEJVDAXPUQJQP-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949650 841513154 /nfs/dbraw/zinc/51/31/54/841513154.db2.gz SZQXMZGAISOMHS-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949650 841513151 /nfs/dbraw/zinc/51/31/51/841513151.db2.gz SZQXMZGAISOMHS-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950442 841514085 /nfs/dbraw/zinc/51/40/85/841514085.db2.gz ZRVWGXHNMFYQSS-HZPDHXFCSA-N 2 1 358.483 -0.968 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001197954926 841514139 /nfs/dbraw/zinc/51/41/39/841514139.db2.gz GOHKZRDIKSOHHX-RBSFLKMASA-N 2 1 350.467 -0.341 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001197954927 841514118 /nfs/dbraw/zinc/51/41/18/841514118.db2.gz GOHKZRDIKSOHHX-RRFJBIMHSA-N 2 1 350.467 -0.341 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954954 841514350 /nfs/dbraw/zinc/51/43/50/841514350.db2.gz HLMWCYCYZLZUHB-BRWVUGGUSA-N 2 1 359.511 -0.087 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954955 841514028 /nfs/dbraw/zinc/51/40/28/841514028.db2.gz HLMWCYCYZLZUHB-GVDBMIGSSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197996732 841518922 /nfs/dbraw/zinc/51/89/22/841518922.db2.gz GANMOEHEPBVTDJ-HZPDHXFCSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197996732 841518913 /nfs/dbraw/zinc/51/89/13/841518913.db2.gz GANMOEHEPBVTDJ-HZPDHXFCSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197996732 841518906 /nfs/dbraw/zinc/51/89/06/841518906.db2.gz GANMOEHEPBVTDJ-HZPDHXFCSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001198003872 841516914 /nfs/dbraw/zinc/51/69/14/841516914.db2.gz LFNSTTNPJSZZAS-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001198003872 841516905 /nfs/dbraw/zinc/51/69/05/841516905.db2.gz LFNSTTNPJSZZAS-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1O ZINC001198003872 841516899 /nfs/dbraw/zinc/51/68/99/841516899.db2.gz LFNSTTNPJSZZAS-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1O ZINC001198003872 841516892 /nfs/dbraw/zinc/51/68/92/841516892.db2.gz LFNSTTNPJSZZAS-HZPDHXFCSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028673 841523104 /nfs/dbraw/zinc/52/31/04/841523104.db2.gz FWKZDIIRAVSDHU-HZPDHXFCSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028673 841523095 /nfs/dbraw/zinc/52/30/95/841523095.db2.gz FWKZDIIRAVSDHU-HZPDHXFCSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028673 841523089 /nfs/dbraw/zinc/52/30/89/841523089.db2.gz FWKZDIIRAVSDHU-HZPDHXFCSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028697 841524564 /nfs/dbraw/zinc/52/45/64/841524564.db2.gz GOGMLAKLZBQLIV-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028697 841524552 /nfs/dbraw/zinc/52/45/52/841524552.db2.gz GOGMLAKLZBQLIV-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028697 841524543 /nfs/dbraw/zinc/52/45/43/841524543.db2.gz GOGMLAKLZBQLIV-JHJVBQTASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028698 841524372 /nfs/dbraw/zinc/52/43/72/841524372.db2.gz GOGMLAKLZBQLIV-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028698 841524363 /nfs/dbraw/zinc/52/43/63/841524363.db2.gz GOGMLAKLZBQLIV-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028698 841524353 /nfs/dbraw/zinc/52/43/53/841524353.db2.gz GOGMLAKLZBQLIV-YNEHKIRRSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001198038196 841526216 /nfs/dbraw/zinc/52/62/16/841526216.db2.gz KBEGZRDEASYLHH-RBSFLKMASA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001198038197 841525468 /nfs/dbraw/zinc/52/54/68/841525468.db2.gz KBEGZRDEASYLHH-RRFJBIMHSA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526411 /nfs/dbraw/zinc/52/64/11/841526411.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526402 /nfs/dbraw/zinc/52/64/02/841526402.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526396 /nfs/dbraw/zinc/52/63/96/841526396.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526392 /nfs/dbraw/zinc/52/63/92/841526392.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526387 /nfs/dbraw/zinc/52/63/87/841526387.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001198038274 841525287 /nfs/dbraw/zinc/52/52/87/841525287.db2.gz NNETXAKYUMDVMV-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001198038276 841525338 /nfs/dbraw/zinc/52/53/38/841525338.db2.gz NTUGMCQQESCTRI-BRWVUGGUSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001198038277 841525427 /nfs/dbraw/zinc/52/54/27/841525427.db2.gz NTUGMCQQESCTRI-GVDBMIGSSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526363 /nfs/dbraw/zinc/52/63/63/841526363.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526357 /nfs/dbraw/zinc/52/63/57/841526357.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526349 /nfs/dbraw/zinc/52/63/49/841526349.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526340 /nfs/dbraw/zinc/52/63/40/841526340.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526334 /nfs/dbraw/zinc/52/63/34/841526334.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198038919 841527058 /nfs/dbraw/zinc/52/70/58/841527058.db2.gz WSQGBTOMPXSRED-ARFHVFGLSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198038919 841527044 /nfs/dbraw/zinc/52/70/44/841527044.db2.gz WSQGBTOMPXSRED-ARFHVFGLSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198038919 841527039 /nfs/dbraw/zinc/52/70/39/841527039.db2.gz WSQGBTOMPXSRED-ARFHVFGLSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198038921 841527599 /nfs/dbraw/zinc/52/75/99/841527599.db2.gz WSQGBTOMPXSRED-BZUAXINKSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198038921 841527593 /nfs/dbraw/zinc/52/75/93/841527593.db2.gz WSQGBTOMPXSRED-BZUAXINKSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198038921 841527588 /nfs/dbraw/zinc/52/75/88/841527588.db2.gz WSQGBTOMPXSRED-BZUAXINKSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527382 /nfs/dbraw/zinc/52/73/82/841527382.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527373 /nfs/dbraw/zinc/52/73/73/841527373.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527366 /nfs/dbraw/zinc/52/73/66/841527366.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527160 /nfs/dbraw/zinc/52/71/60/841527160.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527152 /nfs/dbraw/zinc/52/71/52/841527152.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527142 /nfs/dbraw/zinc/52/71/42/841527142.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198046924 841520119 /nfs/dbraw/zinc/52/01/19/841520119.db2.gz JBBPZTPLTBHXHI-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198046924 841520111 /nfs/dbraw/zinc/52/01/11/841520111.db2.gz JBBPZTPLTBHXHI-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001198046924 841520102 /nfs/dbraw/zinc/52/01/02/841520102.db2.gz JBBPZTPLTBHXHI-HZPDHXFCSA-N 2 1 352.483 -0.049 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652809 841577706 /nfs/dbraw/zinc/57/77/06/841577706.db2.gz CCTUKMRTTLRGBV-IJLUTSLNSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652809 841577701 /nfs/dbraw/zinc/57/77/01/841577701.db2.gz CCTUKMRTTLRGBV-IJLUTSLNSA-N 2 1 366.384 -0.832 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652809 841577689 /nfs/dbraw/zinc/57/76/89/841577689.db2.gz CCTUKMRTTLRGBV-IJLUTSLNSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652814 841578448 /nfs/dbraw/zinc/57/84/48/841578448.db2.gz CCTUKMRTTLRGBV-QJPTWQEYSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652814 841578443 /nfs/dbraw/zinc/57/84/43/841578443.db2.gz CCTUKMRTTLRGBV-QJPTWQEYSA-N 2 1 366.384 -0.832 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652814 841578436 /nfs/dbraw/zinc/57/84/36/841578436.db2.gz CCTUKMRTTLRGBV-QJPTWQEYSA-N 2 1 366.384 -0.832 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198671648 841583993 /nfs/dbraw/zinc/58/39/93/841583993.db2.gz INEZDOASLOHXGC-ARFHVFGLSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198671648 841583980 /nfs/dbraw/zinc/58/39/80/841583980.db2.gz INEZDOASLOHXGC-ARFHVFGLSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198671651 841584735 /nfs/dbraw/zinc/58/47/35/841584735.db2.gz INEZDOASLOHXGC-BZUAXINKSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198671651 841584730 /nfs/dbraw/zinc/58/47/30/841584730.db2.gz INEZDOASLOHXGC-BZUAXINKSA-N 2 1 352.435 -0.452 20 0 FBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198672364 841583490 /nfs/dbraw/zinc/58/34/90/841583490.db2.gz OKDROVLUXCBELD-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198672364 841583480 /nfs/dbraw/zinc/58/34/80/841583480.db2.gz OKDROVLUXCBELD-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001198698490 841582141 /nfs/dbraw/zinc/58/21/41/841582141.db2.gz AIHQZWLLWHVCCV-DJIMGWMZSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001198698492 841581171 /nfs/dbraw/zinc/58/11/71/841581171.db2.gz AIHQZWLLWHVCCV-USXIJHARSA-N 2 1 355.479 -0.457 20 0 FBADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698583 841580813 /nfs/dbraw/zinc/58/08/13/841580813.db2.gz BQMZZDJTANVQIS-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698586 841581482 /nfs/dbraw/zinc/58/14/82/841581482.db2.gz BQMZZDJTANVQIS-GVDBMIGSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698666 841581714 /nfs/dbraw/zinc/58/17/14/841581714.db2.gz DSISLCBOKDILOH-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698667 841581316 /nfs/dbraw/zinc/58/13/16/841581316.db2.gz DSISLCBOKDILOH-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001198729210 841588794 /nfs/dbraw/zinc/58/87/94/841588794.db2.gz HQKJLXHGZJZAGF-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001198729210 841588787 /nfs/dbraw/zinc/58/87/87/841588787.db2.gz HQKJLXHGZJZAGF-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869996 841609757 /nfs/dbraw/zinc/60/97/57/841609757.db2.gz FPVKQTSPZVQHJW-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869996 841609751 /nfs/dbraw/zinc/60/97/51/841609751.db2.gz FPVKQTSPZVQHJW-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869997 841609575 /nfs/dbraw/zinc/60/95/75/841609575.db2.gz FPVKQTSPZVQHJW-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869997 841609567 /nfs/dbraw/zinc/60/95/67/841609567.db2.gz FPVKQTSPZVQHJW-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP CN1CCN([C@@H](CNCc2cn(CC(N)=O)nn2)c2cccs2)CC1 ZINC001198970498 841614256 /nfs/dbraw/zinc/61/42/56/841614256.db2.gz YCCHIWDBXOIRFG-AWEZNQCLSA-N 2 1 363.491 -0.097 20 0 FBADMP CN1CCN([C@H](CNCc2cn(CC(N)=O)nn2)c2cccs2)CC1 ZINC001198970499 841614289 /nfs/dbraw/zinc/61/42/89/841614289.db2.gz YCCHIWDBXOIRFG-CQSZACIVSA-N 2 1 363.491 -0.097 20 0 FBADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c1 ZINC001199004358 841620464 /nfs/dbraw/zinc/62/04/64/841620464.db2.gz NZFIPJPMBCWQOR-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001199004358 841620458 /nfs/dbraw/zinc/62/04/58/841620458.db2.gz NZFIPJPMBCWQOR-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199004463 841620785 /nfs/dbraw/zinc/62/07/85/841620785.db2.gz QVOARRCJMBDRJQ-BRWVUGGUSA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199004468 841620714 /nfs/dbraw/zinc/62/07/14/841620714.db2.gz QVOARRCJMBDRJQ-GVDBMIGSSA-N 2 1 351.447 -0.470 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199023445 841617685 /nfs/dbraw/zinc/61/76/85/841617685.db2.gz KCOHXSHEGZNBJW-HZPDHXFCSA-N 2 1 352.479 -0.354 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199023445 841617680 /nfs/dbraw/zinc/61/76/80/841617680.db2.gz KCOHXSHEGZNBJW-HZPDHXFCSA-N 2 1 352.479 -0.354 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199023855 841618141 /nfs/dbraw/zinc/61/81/41/841618141.db2.gz QPKDVJJMTHLFQX-HUUCEWRRSA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199023855 841618140 /nfs/dbraw/zinc/61/81/40/841618140.db2.gz QPKDVJJMTHLFQX-HUUCEWRRSA-N 2 1 353.467 -0.951 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001199024057 841617912 /nfs/dbraw/zinc/61/79/12/841617912.db2.gz YYPPJMWZDXUAED-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001199024057 841617906 /nfs/dbraw/zinc/61/79/06/841617906.db2.gz YYPPJMWZDXUAED-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001199024058 841618345 /nfs/dbraw/zinc/61/83/45/841618345.db2.gz YYPPJMWZDXUAED-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001199024058 841618340 /nfs/dbraw/zinc/61/83/40/841618340.db2.gz YYPPJMWZDXUAED-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199024111 841617660 /nfs/dbraw/zinc/61/76/60/841617660.db2.gz ZSAJMEPPUCRCEA-HZPDHXFCSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199024111 841617655 /nfs/dbraw/zinc/61/76/55/841617655.db2.gz ZSAJMEPPUCRCEA-HZPDHXFCSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199057277 841626053 /nfs/dbraw/zinc/62/60/53/841626053.db2.gz GCYRWYOSQUYCEL-HUUCEWRRSA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199057277 841626049 /nfs/dbraw/zinc/62/60/49/841626049.db2.gz GCYRWYOSQUYCEL-HUUCEWRRSA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199057640 841626689 /nfs/dbraw/zinc/62/66/89/841626689.db2.gz OOGADQWSPZQGBA-HZPDHXFCSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001199057640 841626684 /nfs/dbraw/zinc/62/66/84/841626684.db2.gz OOGADQWSPZQGBA-HZPDHXFCSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199057777 841626904 /nfs/dbraw/zinc/62/69/04/841626904.db2.gz SHENZMDZZYRLJX-HZPDHXFCSA-N 2 1 352.479 -0.354 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199057777 841626901 /nfs/dbraw/zinc/62/69/01/841626901.db2.gz SHENZMDZZYRLJX-HZPDHXFCSA-N 2 1 352.479 -0.354 20 0 FBADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199064361 841627146 /nfs/dbraw/zinc/62/71/46/841627146.db2.gz HCRSXGVKGHDFLS-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199064361 841627140 /nfs/dbraw/zinc/62/71/40/841627140.db2.gz HCRSXGVKGHDFLS-IAGOWNOFSA-N 2 1 351.447 -0.468 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199064721 841628463 /nfs/dbraw/zinc/62/84/63/841628463.db2.gz PKOSPTHECQMVQJ-DJIMGWMZSA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199064722 841627942 /nfs/dbraw/zinc/62/79/42/841627942.db2.gz PKOSPTHECQMVQJ-USXIJHARSA-N 2 1 351.447 -0.470 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199071363 841628150 /nfs/dbraw/zinc/62/81/50/841628150.db2.gz STWIATNQWKGANZ-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199071363 841628141 /nfs/dbraw/zinc/62/81/41/841628141.db2.gz STWIATNQWKGANZ-BZUAXINKSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199071364 841629332 /nfs/dbraw/zinc/62/93/32/841629332.db2.gz STWIATNQWKGANZ-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199071364 841629325 /nfs/dbraw/zinc/62/93/25/841629325.db2.gz STWIATNQWKGANZ-OWCLPIDISA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095265 841630319 /nfs/dbraw/zinc/63/03/19/841630319.db2.gz GEAYTKPYEXFZGO-BRWVUGGUSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095265 841630315 /nfs/dbraw/zinc/63/03/15/841630315.db2.gz GEAYTKPYEXFZGO-BRWVUGGUSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095269 841631030 /nfs/dbraw/zinc/63/10/30/841631030.db2.gz GEAYTKPYEXFZGO-ZACQAIPSSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095269 841631022 /nfs/dbraw/zinc/63/10/22/841631022.db2.gz GEAYTKPYEXFZGO-ZACQAIPSSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111658 841638798 /nfs/dbraw/zinc/63/87/98/841638798.db2.gz GMMQOELBGDNMGX-JHJVBQTASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111658 841638794 /nfs/dbraw/zinc/63/87/94/841638794.db2.gz GMMQOELBGDNMGX-JHJVBQTASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111658 841638787 /nfs/dbraw/zinc/63/87/87/841638787.db2.gz GMMQOELBGDNMGX-JHJVBQTASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111659 841638465 /nfs/dbraw/zinc/63/84/65/841638465.db2.gz GMMQOELBGDNMGX-YNEHKIRRSA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111659 841638461 /nfs/dbraw/zinc/63/84/61/841638461.db2.gz GMMQOELBGDNMGX-YNEHKIRRSA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111659 841638459 /nfs/dbraw/zinc/63/84/59/841638459.db2.gz GMMQOELBGDNMGX-YNEHKIRRSA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001199112047 841638760 /nfs/dbraw/zinc/63/87/60/841638760.db2.gz YOBPCRZSEWHLIR-HZPDHXFCSA-N 2 1 352.483 -0.050 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001199112047 841638759 /nfs/dbraw/zinc/63/87/59/841638759.db2.gz YOBPCRZSEWHLIR-HZPDHXFCSA-N 2 1 352.483 -0.050 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001199112047 841638754 /nfs/dbraw/zinc/63/87/54/841638754.db2.gz YOBPCRZSEWHLIR-HZPDHXFCSA-N 2 1 352.483 -0.050 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127549 841633128 /nfs/dbraw/zinc/63/31/28/841633128.db2.gz HIOBHNUVJUBKFV-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127549 841633118 /nfs/dbraw/zinc/63/31/18/841633118.db2.gz HIOBHNUVJUBKFV-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127550 841633019 /nfs/dbraw/zinc/63/30/19/841633019.db2.gz HIOBHNUVJUBKFV-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127550 841633013 /nfs/dbraw/zinc/63/30/13/841633013.db2.gz HIOBHNUVJUBKFV-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128374 841634551 /nfs/dbraw/zinc/63/45/51/841634551.db2.gz PXFPDUITOCCGBH-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128374 841634547 /nfs/dbraw/zinc/63/45/47/841634547.db2.gz PXFPDUITOCCGBH-BZUAXINKSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128376 841634378 /nfs/dbraw/zinc/63/43/78/841634378.db2.gz PXFPDUITOCCGBH-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128376 841634373 /nfs/dbraw/zinc/63/43/73/841634373.db2.gz PXFPDUITOCCGBH-OAGGEKHMSA-N 2 1 350.467 -0.440 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001199370162 841658286 /nfs/dbraw/zinc/65/82/86/841658286.db2.gz NNTBVRHSFHFELI-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001199370162 841658278 /nfs/dbraw/zinc/65/82/78/841658278.db2.gz NNTBVRHSFHFELI-HZPDHXFCSA-N 2 1 350.467 -0.295 20 0 FBADMP C[NH+](C)CCN1CCN(C(=S)NCCC[NH+]2CCOCC2)CCC1=O ZINC001199946865 841685339 /nfs/dbraw/zinc/68/53/39/841685339.db2.gz WWRROGOOLZLPJU-UHFFFAOYSA-N 2 1 371.551 -0.321 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200536692 852209631 /nfs/dbraw/zinc/20/96/31/852209631.db2.gz FATGBSMXEITZRI-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200536694 852209177 /nfs/dbraw/zinc/20/91/77/852209177.db2.gz FATGBSMXEITZRI-OWCLPIDISA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200536898 852209712 /nfs/dbraw/zinc/20/97/12/852209712.db2.gz IUWFGNJKEYBWGB-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200536899 852208975 /nfs/dbraw/zinc/20/89/75/852208975.db2.gz IUWFGNJKEYBWGB-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001200538405 852209765 /nfs/dbraw/zinc/20/97/65/852209765.db2.gz ZQOMFCVLZOXSPO-QLFBSQMISA-N 2 1 361.508 -0.422 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001200538407 852209249 /nfs/dbraw/zinc/20/92/49/852209249.db2.gz ZQOMFCVLZOXSPO-RBSFLKMASA-N 2 1 361.508 -0.422 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001200548329 852209656 /nfs/dbraw/zinc/20/96/56/852209656.db2.gz UBKVRCPWWNJQSX-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001200548347 852209865 /nfs/dbraw/zinc/20/98/65/852209865.db2.gz UBKVRCPWWNJQSX-OWCLPIDISA-N 2 1 350.467 -0.175 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001200555906 852210969 /nfs/dbraw/zinc/21/09/69/852210969.db2.gz SVXYDHKGCUFHPS-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001200555907 852210546 /nfs/dbraw/zinc/21/05/46/852210546.db2.gz SVXYDHKGCUFHPS-YESZJQIVSA-N 2 1 357.495 -0.067 20 0 FBADMP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635588 852220671 /nfs/dbraw/zinc/22/06/71/852220671.db2.gz AKEIGYOMSQTQSA-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635589 852221226 /nfs/dbraw/zinc/22/12/26/852221226.db2.gz AKEIGYOMSQTQSA-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN(C)S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001200635670 852220368 /nfs/dbraw/zinc/22/03/68/852220368.db2.gz BSDYVEUPUKHTKE-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636216 852221070 /nfs/dbraw/zinc/22/10/70/852221070.db2.gz GXERRZDDOWBYMG-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637198 852221931 /nfs/dbraw/zinc/22/19/31/852221931.db2.gz SQYSGJHRCVMQHM-UKRRQHHQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001200644013 852223306 /nfs/dbraw/zinc/22/33/06/852223306.db2.gz HXTYPNHAIDFMQT-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200644847 852223435 /nfs/dbraw/zinc/22/34/35/852223435.db2.gz RXSRRWZHBYHOEA-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200644858 852223015 /nfs/dbraw/zinc/22/30/15/852223015.db2.gz RXSRRWZHBYHOEA-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001200651799 852222996 /nfs/dbraw/zinc/22/29/96/852222996.db2.gz MNHPBIDLBGMRGL-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001200651800 852223680 /nfs/dbraw/zinc/22/36/80/852223680.db2.gz MNHPBIDLBGMRGL-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001200652073 852224479 /nfs/dbraw/zinc/22/44/79/852224479.db2.gz YTIYWLOTIUMWAK-LSDHHAIUSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787704 852242974 /nfs/dbraw/zinc/24/29/74/852242974.db2.gz WFNSSJWFSJWSDC-QLFBSQMISA-N 2 1 356.467 -0.951 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787710 852242421 /nfs/dbraw/zinc/24/24/21/852242421.db2.gz WFNSSJWFSJWSDC-RBSFLKMASA-N 2 1 356.467 -0.951 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001200788580 852242047 /nfs/dbraw/zinc/24/20/47/852242047.db2.gz ZOMQAGRZHNITMU-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001200788584 852242682 /nfs/dbraw/zinc/24/26/82/852242682.db2.gz ZOMQAGRZHNITMU-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001201125003 841709745 /nfs/dbraw/zinc/70/97/45/841709745.db2.gz DVXOWTNDENXEOP-CHWSQXEVSA-N 2 1 355.464 -0.357 20 0 FBADMP CN(CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1)S(C)(=O)=O ZINC001201125028 841709934 /nfs/dbraw/zinc/70/99/34/841709934.db2.gz FIMLRUVPAHZEGI-ZIAGYGMSSA-N 2 1 369.491 -0.015 20 0 FBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001201230225 841711012 /nfs/dbraw/zinc/71/10/12/841711012.db2.gz LWRSGNPOQFBIEF-DVOMOZLQSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001201230225 841711001 /nfs/dbraw/zinc/71/10/01/841711001.db2.gz LWRSGNPOQFBIEF-DVOMOZLQSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001201230235 841710844 /nfs/dbraw/zinc/71/08/44/841710844.db2.gz LWRSGNPOQFBIEF-XJKCOSOUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001201230235 841710836 /nfs/dbraw/zinc/71/08/36/841710836.db2.gz LWRSGNPOQFBIEF-XJKCOSOUSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001201230410 841711304 /nfs/dbraw/zinc/71/13/04/841711304.db2.gz PGXDWEMQEHPQOV-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001201230410 841711297 /nfs/dbraw/zinc/71/12/97/841711297.db2.gz PGXDWEMQEHPQOV-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001201230762 841710641 /nfs/dbraw/zinc/71/06/41/841710641.db2.gz VEKVLMDSXCHTRV-CZUORRHYSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001201230762 841710633 /nfs/dbraw/zinc/71/06/33/841710633.db2.gz VEKVLMDSXCHTRV-CZUORRHYSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)O1 ZINC001201238909 841711170 /nfs/dbraw/zinc/71/11/70/841711170.db2.gz DXLRNHIFKMKMOK-UKRRQHHQSA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)O1 ZINC001201238909 841711158 /nfs/dbraw/zinc/71/11/58/841711158.db2.gz DXLRNHIFKMKMOK-UKRRQHHQSA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001201239029 841710706 /nfs/dbraw/zinc/71/07/06/841710706.db2.gz GIAXDRNMKXIEFB-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001201239029 841710697 /nfs/dbraw/zinc/71/06/97/841710697.db2.gz GIAXDRNMKXIEFB-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001202844432 843669670 /nfs/dbraw/zinc/66/96/70/843669670.db2.gz PJDLGCSNECCPBF-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001202844432 843669668 /nfs/dbraw/zinc/66/96/68/843669668.db2.gz PJDLGCSNECCPBF-HNNXBMFYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H]3CCC(=O)N3)CC2)C1 ZINC001202844434 843669470 /nfs/dbraw/zinc/66/94/70/843669470.db2.gz PJDLGCSNECCPBF-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H]3CCC(=O)N3)CC2)C1 ZINC001202844434 843669463 /nfs/dbraw/zinc/66/94/63/843669463.db2.gz PJDLGCSNECCPBF-OAHLLOKOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cn2)CC1 ZINC001203385578 843965402 /nfs/dbraw/zinc/96/54/02/843965402.db2.gz WHBLFISCMDTVNR-UHFFFAOYSA-N 2 1 356.496 -0.367 20 0 FBADMP CC[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC001204472712 843967894 /nfs/dbraw/zinc/96/78/94/843967894.db2.gz YOISSDWDIZWJGZ-UHFFFAOYSA-N 2 1 373.567 -0.172 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001205334218 843970287 /nfs/dbraw/zinc/97/02/87/843970287.db2.gz GMBSVGUBQKAOTK-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001205334705 843970217 /nfs/dbraw/zinc/97/02/17/843970217.db2.gz PWKBUXGKHAXSHB-UONOGXRCSA-N 2 1 353.467 -0.260 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335282 843970319 /nfs/dbraw/zinc/97/03/19/843970319.db2.gz WLYZYTXXUDCAGS-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001205340283 843970272 /nfs/dbraw/zinc/97/02/72/843970272.db2.gz VGYHBBHLFAQQAI-OUCADQQQSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001205340285 843970090 /nfs/dbraw/zinc/97/00/90/843970090.db2.gz VGYHBBHLFAQQAI-YRGRVCCFSA-N 2 1 353.467 -0.262 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205507716 843971924 /nfs/dbraw/zinc/97/19/24/843971924.db2.gz HXQFJXSKXOOATG-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513975 843972783 /nfs/dbraw/zinc/97/27/83/843972783.db2.gz WHFYOMLTSJSJGN-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513975 843972777 /nfs/dbraw/zinc/97/27/77/843972777.db2.gz WHFYOMLTSJSJGN-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205514044 843972704 /nfs/dbraw/zinc/97/27/04/843972704.db2.gz YJQBNQNCGPQVKG-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)O1 ZINC001205516016 843972749 /nfs/dbraw/zinc/97/27/49/843972749.db2.gz KBDMIXUYUDVPNZ-UKRRQHHQSA-N 2 1 361.508 -0.422 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)O1 ZINC001205516016 843972743 /nfs/dbraw/zinc/97/27/43/843972743.db2.gz KBDMIXUYUDVPNZ-UKRRQHHQSA-N 2 1 361.508 -0.422 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001205516319 843972514 /nfs/dbraw/zinc/97/25/14/843972514.db2.gz ZDBMPZCKFOPNGR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCC3)CC2)O1 ZINC001205516319 843972509 /nfs/dbraw/zinc/97/25/09/843972509.db2.gz ZDBMPZCKFOPNGR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516415 843972659 /nfs/dbraw/zinc/97/26/59/843972659.db2.gz CJICCADOTSRCFB-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516415 843972652 /nfs/dbraw/zinc/97/26/52/843972652.db2.gz CJICCADOTSRCFB-LSDHHAIUSA-N 2 1 352.479 -0.247 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC3CC3)CC2)O1 ZINC001205518669 843972900 /nfs/dbraw/zinc/97/29/00/843972900.db2.gz GNMTYTVKTLUSET-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC3CC3)CC2)O1 ZINC001205518669 843972897 /nfs/dbraw/zinc/97/28/97/843972897.db2.gz GNMTYTVKTLUSET-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCn3cncn3)CC2)O1 ZINC001205519098 843972872 /nfs/dbraw/zinc/97/28/72/843972872.db2.gz VJWCUWPTBNLJPV-GDBMZVCRSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCn3cncn3)CC2)O1 ZINC001205519098 843972870 /nfs/dbraw/zinc/97/28/70/843972870.db2.gz VJWCUWPTBNLJPV-GDBMZVCRSA-N 2 1 350.467 -0.175 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519466 843972463 /nfs/dbraw/zinc/97/24/63/843972463.db2.gz OTXBXVDNSFOSRA-LSDHHAIUSA-N 2 1 352.479 -0.249 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519466 843972454 /nfs/dbraw/zinc/97/24/54/843972454.db2.gz OTXBXVDNSFOSRA-LSDHHAIUSA-N 2 1 352.479 -0.249 20 0 FBADMP C[NH+](C)CCn1cc(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)cn1 ZINC001206310323 843987280 /nfs/dbraw/zinc/98/72/80/843987280.db2.gz HQQSASFCUVTLPE-UHFFFAOYSA-N 2 1 364.475 -0.007 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206585726 843991508 /nfs/dbraw/zinc/99/15/08/843991508.db2.gz CPLNYVYXGXSNDM-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206585726 843991503 /nfs/dbraw/zinc/99/15/03/843991503.db2.gz CPLNYVYXGXSNDM-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585726 843991499 /nfs/dbraw/zinc/99/14/99/843991499.db2.gz CPLNYVYXGXSNDM-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206585727 843991357 /nfs/dbraw/zinc/99/13/57/843991357.db2.gz CPLNYVYXGXSNDM-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206585727 843991353 /nfs/dbraw/zinc/99/13/53/843991353.db2.gz CPLNYVYXGXSNDM-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585727 843991348 /nfs/dbraw/zinc/99/13/48/843991348.db2.gz CPLNYVYXGXSNDM-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206620668 843991537 /nfs/dbraw/zinc/99/15/37/843991537.db2.gz XDNJDFHWHXSNNY-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206620668 843991533 /nfs/dbraw/zinc/99/15/33/843991533.db2.gz XDNJDFHWHXSNNY-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206620668 843991530 /nfs/dbraw/zinc/99/15/30/843991530.db2.gz XDNJDFHWHXSNNY-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206620669 843991802 /nfs/dbraw/zinc/99/18/02/843991802.db2.gz XDNJDFHWHXSNNY-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206620669 843991796 /nfs/dbraw/zinc/99/17/96/843991796.db2.gz XDNJDFHWHXSNNY-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206620669 843991788 /nfs/dbraw/zinc/99/17/88/843991788.db2.gz XDNJDFHWHXSNNY-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979110 844019980 /nfs/dbraw/zinc/01/99/80/844019980.db2.gz GMGCGIKAJOCKKA-KWCYVHTRSA-N 2 1 351.451 -0.780 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979110 844019971 /nfs/dbraw/zinc/01/99/71/844019971.db2.gz GMGCGIKAJOCKKA-KWCYVHTRSA-N 2 1 351.451 -0.780 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979111 844019955 /nfs/dbraw/zinc/01/99/55/844019955.db2.gz GMGCGIKAJOCKKA-MRVWCRGKSA-N 2 1 351.451 -0.780 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979111 844019946 /nfs/dbraw/zinc/01/99/46/844019946.db2.gz GMGCGIKAJOCKKA-MRVWCRGKSA-N 2 1 351.451 -0.780 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980262 844021761 /nfs/dbraw/zinc/02/17/61/844021761.db2.gz PQCYOJZAHPQGGH-BPLDGKMQSA-N 2 1 358.508 -0.686 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980262 844021755 /nfs/dbraw/zinc/02/17/55/844021755.db2.gz PQCYOJZAHPQGGH-BPLDGKMQSA-N 2 1 358.508 -0.686 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980263 844021460 /nfs/dbraw/zinc/02/14/60/844021460.db2.gz PQCYOJZAHPQGGH-VHDGCEQUSA-N 2 1 358.508 -0.686 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980263 844021455 /nfs/dbraw/zinc/02/14/55/844021455.db2.gz PQCYOJZAHPQGGH-VHDGCEQUSA-N 2 1 358.508 -0.686 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001206986542 844021490 /nfs/dbraw/zinc/02/14/90/844021490.db2.gz XGJOVUWAKVARBV-GDBMZVCRSA-N 2 1 353.467 -0.496 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986565 844022595 /nfs/dbraw/zinc/02/25/95/844022595.db2.gz ZBCBKHLSFFATCP-IIAWOOMASA-N 2 1 353.467 -0.498 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986566 844021997 /nfs/dbraw/zinc/02/19/97/844021997.db2.gz ZBCBKHLSFFATCP-IJEWVQPXSA-N 2 1 353.467 -0.498 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992685 844021978 /nfs/dbraw/zinc/02/19/78/844021978.db2.gz AYDLUKRUUOQQOE-KBUPBQIOSA-N 2 1 360.524 -0.298 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992685 844021969 /nfs/dbraw/zinc/02/19/69/844021969.db2.gz AYDLUKRUUOQQOE-KBUPBQIOSA-N 2 1 360.524 -0.298 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992685 844021961 /nfs/dbraw/zinc/02/19/61/844021961.db2.gz AYDLUKRUUOQQOE-KBUPBQIOSA-N 2 1 360.524 -0.298 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992685 844021953 /nfs/dbraw/zinc/02/19/53/844021953.db2.gz AYDLUKRUUOQQOE-KBUPBQIOSA-N 2 1 360.524 -0.298 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992694 844022366 /nfs/dbraw/zinc/02/23/66/844022366.db2.gz BKVCCEUXDPSLGX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992694 844022357 /nfs/dbraw/zinc/02/23/57/844022357.db2.gz BKVCCEUXDPSLGX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992694 844022347 /nfs/dbraw/zinc/02/23/47/844022347.db2.gz BKVCCEUXDPSLGX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992694 844022343 /nfs/dbraw/zinc/02/23/43/844022343.db2.gz BKVCCEUXDPSLGX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992710 844022042 /nfs/dbraw/zinc/02/20/42/844022042.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992710 844022035 /nfs/dbraw/zinc/02/20/35/844022035.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992710 844022027 /nfs/dbraw/zinc/02/20/27/844022027.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992771 844021927 /nfs/dbraw/zinc/02/19/27/844021927.db2.gz HBNVZUWWWMTURX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992771 844021923 /nfs/dbraw/zinc/02/19/23/844021923.db2.gz HBNVZUWWWMTURX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992771 844021914 /nfs/dbraw/zinc/02/19/14/844021914.db2.gz HBNVZUWWWMTURX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992771 844021906 /nfs/dbraw/zinc/02/19/06/844021906.db2.gz HBNVZUWWWMTURX-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]2C)CC[NH+]1C ZINC001206993114 844021269 /nfs/dbraw/zinc/02/12/69/844021269.db2.gz SKHCDEDMMVQHCX-XJFOESAGSA-N 2 1 353.467 -0.391 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]2C)CC[NH+]1C ZINC001206993114 844021261 /nfs/dbraw/zinc/02/12/61/844021261.db2.gz SKHCDEDMMVQHCX-XJFOESAGSA-N 2 1 353.467 -0.391 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)CC[N@H+]1C ZINC001206993114 844021252 /nfs/dbraw/zinc/02/12/52/844021252.db2.gz SKHCDEDMMVQHCX-XJFOESAGSA-N 2 1 353.467 -0.391 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)CC[N@@H+]1C ZINC001206993114 844021244 /nfs/dbraw/zinc/02/12/44/844021244.db2.gz SKHCDEDMMVQHCX-XJFOESAGSA-N 2 1 353.467 -0.391 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206993291 844021641 /nfs/dbraw/zinc/02/16/41/844021641.db2.gz USJQLQFDUBSIIN-AAVRWANBSA-N 2 1 353.467 -0.391 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206993291 844021632 /nfs/dbraw/zinc/02/16/32/844021632.db2.gz USJQLQFDUBSIIN-AAVRWANBSA-N 2 1 353.467 -0.391 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993291 844021625 /nfs/dbraw/zinc/02/16/25/844021625.db2.gz USJQLQFDUBSIIN-AAVRWANBSA-N 2 1 353.467 -0.391 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993291 844021617 /nfs/dbraw/zinc/02/16/17/844021617.db2.gz USJQLQFDUBSIIN-AAVRWANBSA-N 2 1 353.467 -0.391 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993610 844021219 /nfs/dbraw/zinc/02/12/19/844021219.db2.gz ZUTLMLGUBCVHIT-KBUPBQIOSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993610 844021211 /nfs/dbraw/zinc/02/12/11/844021211.db2.gz ZUTLMLGUBCVHIT-KBUPBQIOSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993610 844021202 /nfs/dbraw/zinc/02/12/02/844021202.db2.gz ZUTLMLGUBCVHIT-KBUPBQIOSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993610 844021193 /nfs/dbraw/zinc/02/11/93/844021193.db2.gz ZUTLMLGUBCVHIT-KBUPBQIOSA-N 2 1 360.524 -0.346 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207000619 844022960 /nfs/dbraw/zinc/02/29/60/844022960.db2.gz IMHNDMWDVQAGNP-LXTVHRRPSA-N 2 1 360.524 -0.298 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207000619 844022951 /nfs/dbraw/zinc/02/29/51/844022951.db2.gz IMHNDMWDVQAGNP-LXTVHRRPSA-N 2 1 360.524 -0.298 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001207000619 844022943 /nfs/dbraw/zinc/02/29/43/844022943.db2.gz IMHNDMWDVQAGNP-LXTVHRRPSA-N 2 1 360.524 -0.298 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001207000619 844022934 /nfs/dbraw/zinc/02/29/34/844022934.db2.gz IMHNDMWDVQAGNP-LXTVHRRPSA-N 2 1 360.524 -0.298 20 0 FBADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001207437362 844043040 /nfs/dbraw/zinc/04/30/40/844043040.db2.gz VLHSEEOTBVRAAU-HZPDHXFCSA-N 2 1 372.535 -0.200 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](CC2CCN(S(C)(=O)=O)CC2)CCC1=O ZINC001207447835 844043858 /nfs/dbraw/zinc/04/38/58/844043858.db2.gz GONCKQLGDKABPD-UHFFFAOYSA-N 2 1 360.524 -0.246 20 0 FBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001207450240 844044125 /nfs/dbraw/zinc/04/41/25/844044125.db2.gz FVQGWAGHBUQABI-OAHLLOKOSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001207450240 844044118 /nfs/dbraw/zinc/04/41/18/844044118.db2.gz FVQGWAGHBUQABI-OAHLLOKOSA-N 2 1 360.524 -0.200 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454363 844044961 /nfs/dbraw/zinc/04/49/61/844044961.db2.gz UPHLEQUDTYZLFO-FVQBIDKESA-N 2 1 354.451 -0.197 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454363 844044950 /nfs/dbraw/zinc/04/49/50/844044950.db2.gz UPHLEQUDTYZLFO-FVQBIDKESA-N 2 1 354.451 -0.197 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454363 844044942 /nfs/dbraw/zinc/04/49/42/844044942.db2.gz UPHLEQUDTYZLFO-FVQBIDKESA-N 2 1 354.451 -0.197 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454364 844044220 /nfs/dbraw/zinc/04/42/20/844044220.db2.gz UPHLEQUDTYZLFO-VNQPRFMTSA-N 2 1 354.451 -0.197 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454364 844044215 /nfs/dbraw/zinc/04/42/15/844044215.db2.gz UPHLEQUDTYZLFO-VNQPRFMTSA-N 2 1 354.451 -0.197 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454364 844044209 /nfs/dbraw/zinc/04/42/09/844044209.db2.gz UPHLEQUDTYZLFO-VNQPRFMTSA-N 2 1 354.451 -0.197 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454460 844044315 /nfs/dbraw/zinc/04/43/15/844044315.db2.gz XPCDPNWSRVNJAN-CZUORRHYSA-N 2 1 351.451 -0.069 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454460 844044308 /nfs/dbraw/zinc/04/43/08/844044308.db2.gz XPCDPNWSRVNJAN-CZUORRHYSA-N 2 1 351.451 -0.069 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454460 844044299 /nfs/dbraw/zinc/04/42/99/844044299.db2.gz XPCDPNWSRVNJAN-CZUORRHYSA-N 2 1 351.451 -0.069 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537487 844046377 /nfs/dbraw/zinc/04/63/77/844046377.db2.gz BOLURORRNHGZFD-HZSPNIEDSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537487 844046368 /nfs/dbraw/zinc/04/63/68/844046368.db2.gz BOLURORRNHGZFD-HZSPNIEDSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537487 844046360 /nfs/dbraw/zinc/04/63/60/844046360.db2.gz BOLURORRNHGZFD-HZSPNIEDSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537487 844046353 /nfs/dbraw/zinc/04/63/53/844046353.db2.gz BOLURORRNHGZFD-HZSPNIEDSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537488 844045627 /nfs/dbraw/zinc/04/56/27/844045627.db2.gz BOLURORRNHGZFD-MGPQQGTHSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537488 844045620 /nfs/dbraw/zinc/04/56/20/844045620.db2.gz BOLURORRNHGZFD-MGPQQGTHSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537488 844045615 /nfs/dbraw/zinc/04/56/15/844045615.db2.gz BOLURORRNHGZFD-MGPQQGTHSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001207537488 844045607 /nfs/dbraw/zinc/04/56/07/844045607.db2.gz BOLURORRNHGZFD-MGPQQGTHSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540930 844045297 /nfs/dbraw/zinc/04/52/97/844045297.db2.gz LPJKJHUPCZFJHA-HZSPNIEDSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540930 844045288 /nfs/dbraw/zinc/04/52/88/844045288.db2.gz LPJKJHUPCZFJHA-HZSPNIEDSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540930 844045280 /nfs/dbraw/zinc/04/52/80/844045280.db2.gz LPJKJHUPCZFJHA-HZSPNIEDSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540930 844045270 /nfs/dbraw/zinc/04/52/70/844045270.db2.gz LPJKJHUPCZFJHA-HZSPNIEDSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540931 844045673 /nfs/dbraw/zinc/04/56/73/844045673.db2.gz LPJKJHUPCZFJHA-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540931 844045665 /nfs/dbraw/zinc/04/56/65/844045665.db2.gz LPJKJHUPCZFJHA-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540931 844045655 /nfs/dbraw/zinc/04/56/55/844045655.db2.gz LPJKJHUPCZFJHA-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207540931 844045650 /nfs/dbraw/zinc/04/56/50/844045650.db2.gz LPJKJHUPCZFJHA-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543446 844045413 /nfs/dbraw/zinc/04/54/13/844045413.db2.gz PHMLCYOXRGQKEK-FRRDWIJNSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543446 844045406 /nfs/dbraw/zinc/04/54/06/844045406.db2.gz PHMLCYOXRGQKEK-FRRDWIJNSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543447 844045446 /nfs/dbraw/zinc/04/54/46/844045446.db2.gz PHMLCYOXRGQKEK-JHJVBQTASA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543447 844045438 /nfs/dbraw/zinc/04/54/38/844045438.db2.gz PHMLCYOXRGQKEK-JHJVBQTASA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545098 844045771 /nfs/dbraw/zinc/04/57/71/844045771.db2.gz FMUVQNPLACNMHH-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545098 844045766 /nfs/dbraw/zinc/04/57/66/844045766.db2.gz FMUVQNPLACNMHH-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545170 844045994 /nfs/dbraw/zinc/04/59/94/844045994.db2.gz IRVCWQMVSXNLIJ-BZUAXINKSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545171 844046121 /nfs/dbraw/zinc/04/61/21/844046121.db2.gz IRVCWQMVSXNLIJ-OWCLPIDISA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545482 844045961 /nfs/dbraw/zinc/04/59/61/844045961.db2.gz YFLVHTMUFGXBHQ-ZIAGYGMSSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545482 844045955 /nfs/dbraw/zinc/04/59/55/844045955.db2.gz YFLVHTMUFGXBHQ-ZIAGYGMSSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547453 844046704 /nfs/dbraw/zinc/04/67/04/844046704.db2.gz XBROPLAUGNYDAQ-CHWSQXEVSA-N 2 1 351.451 -0.541 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550606 844047720 /nfs/dbraw/zinc/04/77/20/844047720.db2.gz BZFQKFNNBOJMSS-KBRIMQKVSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550607 844047818 /nfs/dbraw/zinc/04/78/18/844047818.db2.gz BZFQKFNNBOJMSS-XYPHTWIQSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550708 844046889 /nfs/dbraw/zinc/04/68/89/844046889.db2.gz GMWBOIRCMUHJBZ-FRFSOERESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550708 844046881 /nfs/dbraw/zinc/04/68/81/844046881.db2.gz GMWBOIRCMUHJBZ-FRFSOERESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550709 844047185 /nfs/dbraw/zinc/04/71/85/844047185.db2.gz GMWBOIRCMUHJBZ-UNEWFSDZSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550709 844047179 /nfs/dbraw/zinc/04/71/79/844047179.db2.gz GMWBOIRCMUHJBZ-UNEWFSDZSA-N 2 1 352.479 -0.378 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550928 844047877 /nfs/dbraw/zinc/04/78/77/844047877.db2.gz NUSXDSYYXUZSGZ-FRFSOERESA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550928 844047867 /nfs/dbraw/zinc/04/78/67/844047867.db2.gz NUSXDSYYXUZSGZ-FRFSOERESA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550929 844047525 /nfs/dbraw/zinc/04/75/25/844047525.db2.gz NUSXDSYYXUZSGZ-UNEWFSDZSA-N 2 1 354.495 -0.084 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550929 844047515 /nfs/dbraw/zinc/04/75/15/844047515.db2.gz NUSXDSYYXUZSGZ-UNEWFSDZSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551019 844046614 /nfs/dbraw/zinc/04/66/14/844046614.db2.gz QMXCEQLCKKZBMZ-BPLDGKMQSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551019 844046606 /nfs/dbraw/zinc/04/66/06/844046606.db2.gz QMXCEQLCKKZBMZ-BPLDGKMQSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551020 844047155 /nfs/dbraw/zinc/04/71/55/844047155.db2.gz QMXCEQLCKKZBMZ-YUELXQCFSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551020 844047147 /nfs/dbraw/zinc/04/71/47/844047147.db2.gz QMXCEQLCKKZBMZ-YUELXQCFSA-N 2 1 360.524 -0.346 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551021 844046549 /nfs/dbraw/zinc/04/65/49/844046549.db2.gz QNNCVFXPPULBLT-KYOSRNDESA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551022 844047309 /nfs/dbraw/zinc/04/73/09/844047309.db2.gz QNNCVFXPPULBLT-UXIGCNINSA-N 2 1 351.451 -0.685 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207554176 844047640 /nfs/dbraw/zinc/04/76/40/844047640.db2.gz XUVGLXUPZGOQAS-MRRJBJDNSA-N 2 1 350.463 -0.088 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207554177 844047898 /nfs/dbraw/zinc/04/78/98/844047898.db2.gz XUVGLXUPZGOQAS-SUYBPPKGSA-N 2 1 350.463 -0.088 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563440 844049178 /nfs/dbraw/zinc/04/91/78/844049178.db2.gz VACAAOFTDLCRBE-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563440 844049171 /nfs/dbraw/zinc/04/91/71/844049171.db2.gz VACAAOFTDLCRBE-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563440 844049164 /nfs/dbraw/zinc/04/91/64/844049164.db2.gz VACAAOFTDLCRBE-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563440 844049154 /nfs/dbraw/zinc/04/91/54/844049154.db2.gz VACAAOFTDLCRBE-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563441 844048779 /nfs/dbraw/zinc/04/87/79/844048779.db2.gz VACAAOFTDLCRBE-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563441 844048771 /nfs/dbraw/zinc/04/87/71/844048771.db2.gz VACAAOFTDLCRBE-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563441 844048762 /nfs/dbraw/zinc/04/87/62/844048762.db2.gz VACAAOFTDLCRBE-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563441 844048753 /nfs/dbraw/zinc/04/87/53/844048753.db2.gz VACAAOFTDLCRBE-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567920 844049275 /nfs/dbraw/zinc/04/92/75/844049275.db2.gz GTCJECTXQMBNMN-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567920 844049267 /nfs/dbraw/zinc/04/92/67/844049267.db2.gz GTCJECTXQMBNMN-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567920 844049259 /nfs/dbraw/zinc/04/92/59/844049259.db2.gz GTCJECTXQMBNMN-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567920 844049251 /nfs/dbraw/zinc/04/92/51/844049251.db2.gz GTCJECTXQMBNMN-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568124 844049399 /nfs/dbraw/zinc/04/93/99/844049399.db2.gz PXSMHDNSZGZRIP-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568124 844049391 /nfs/dbraw/zinc/04/93/91/844049391.db2.gz PXSMHDNSZGZRIP-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568124 844049383 /nfs/dbraw/zinc/04/93/83/844049383.db2.gz PXSMHDNSZGZRIP-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568124 844049375 /nfs/dbraw/zinc/04/93/75/844049375.db2.gz PXSMHDNSZGZRIP-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568191 844048323 /nfs/dbraw/zinc/04/83/23/844048323.db2.gz UOBGFLKMFPEEON-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568191 844048314 /nfs/dbraw/zinc/04/83/14/844048314.db2.gz UOBGFLKMFPEEON-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568191 844048306 /nfs/dbraw/zinc/04/83/06/844048306.db2.gz UOBGFLKMFPEEON-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568192 844048898 /nfs/dbraw/zinc/04/88/98/844048898.db2.gz UOBGFLKMFPEEON-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568192 844048889 /nfs/dbraw/zinc/04/88/89/844048889.db2.gz UOBGFLKMFPEEON-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568192 844048881 /nfs/dbraw/zinc/04/88/81/844048881.db2.gz UOBGFLKMFPEEON-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207571580 844048139 /nfs/dbraw/zinc/04/81/39/844048139.db2.gz CUTJOQJBAYMHBL-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207571580 844048131 /nfs/dbraw/zinc/04/81/31/844048131.db2.gz CUTJOQJBAYMHBL-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207571580 844048124 /nfs/dbraw/zinc/04/81/24/844048124.db2.gz CUTJOQJBAYMHBL-TZMCWYRMSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207601280 844048565 /nfs/dbraw/zinc/04/85/65/844048565.db2.gz GGDUAOLSKHQOKF-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207601280 844048556 /nfs/dbraw/zinc/04/85/56/844048556.db2.gz GGDUAOLSKHQOKF-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601280 844048548 /nfs/dbraw/zinc/04/85/48/844048548.db2.gz GGDUAOLSKHQOKF-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601280 844048539 /nfs/dbraw/zinc/04/85/39/844048539.db2.gz GGDUAOLSKHQOKF-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207601281 844048842 /nfs/dbraw/zinc/04/88/42/844048842.db2.gz GGDUAOLSKHQOKF-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207601281 844048832 /nfs/dbraw/zinc/04/88/32/844048832.db2.gz GGDUAOLSKHQOKF-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601281 844048824 /nfs/dbraw/zinc/04/88/24/844048824.db2.gz GGDUAOLSKHQOKF-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601281 844048817 /nfs/dbraw/zinc/04/88/17/844048817.db2.gz GGDUAOLSKHQOKF-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616955 844050662 /nfs/dbraw/zinc/05/06/62/844050662.db2.gz KTSMJLXHMYQEAI-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616955 844050651 /nfs/dbraw/zinc/05/06/51/844050651.db2.gz KTSMJLXHMYQEAI-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616955 844050641 /nfs/dbraw/zinc/05/06/41/844050641.db2.gz KTSMJLXHMYQEAI-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616955 844050632 /nfs/dbraw/zinc/05/06/32/844050632.db2.gz KTSMJLXHMYQEAI-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616957 844051045 /nfs/dbraw/zinc/05/10/45/844051045.db2.gz KTSMJLXHMYQEAI-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616957 844051036 /nfs/dbraw/zinc/05/10/36/844051036.db2.gz KTSMJLXHMYQEAI-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616957 844051027 /nfs/dbraw/zinc/05/10/27/844051027.db2.gz KTSMJLXHMYQEAI-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616957 844051019 /nfs/dbraw/zinc/05/10/19/844051019.db2.gz KTSMJLXHMYQEAI-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207643775 844051425 /nfs/dbraw/zinc/05/14/25/844051425.db2.gz LXHPKDWQODDQSM-INMHGKMJSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207643775 844051421 /nfs/dbraw/zinc/05/14/21/844051421.db2.gz LXHPKDWQODDQSM-INMHGKMJSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001207649864 844051704 /nfs/dbraw/zinc/05/17/04/844051704.db2.gz KVFBEHLRSFNOCF-KFWWJZLASA-N 2 1 362.540 -0.100 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001207649864 844051696 /nfs/dbraw/zinc/05/16/96/844051696.db2.gz KVFBEHLRSFNOCF-KFWWJZLASA-N 2 1 362.540 -0.100 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001207653192 844052609 /nfs/dbraw/zinc/05/26/09/844052609.db2.gz YBUKKIYGOIJYDG-NFAWXSAZSA-N 2 1 353.467 -0.439 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682901 844054565 /nfs/dbraw/zinc/05/45/65/844054565.db2.gz ZYIDSDCVZNIWBC-CHWSQXEVSA-N 2 1 351.451 -0.506 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682901 844054556 /nfs/dbraw/zinc/05/45/56/844054556.db2.gz ZYIDSDCVZNIWBC-CHWSQXEVSA-N 2 1 351.451 -0.506 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001207697429 844056652 /nfs/dbraw/zinc/05/66/52/844056652.db2.gz AJAATDWMUYODLS-QKPAOTATSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C)[NH+](C)C ZINC001207697903 844055684 /nfs/dbraw/zinc/05/56/84/844055684.db2.gz LWGNCQNXEZVIDE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C)[NH+](C)C ZINC001207697903 844055676 /nfs/dbraw/zinc/05/56/76/844055676.db2.gz LWGNCQNXEZVIDE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001207698130 844055968 /nfs/dbraw/zinc/05/59/68/844055968.db2.gz UGVVAEWLXVPNLT-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705821 844056562 /nfs/dbraw/zinc/05/65/62/844056562.db2.gz JUNCCSZKPSPOQB-KFWWJZLASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705821 844056553 /nfs/dbraw/zinc/05/65/53/844056553.db2.gz JUNCCSZKPSPOQB-KFWWJZLASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705829 844057246 /nfs/dbraw/zinc/05/72/46/844057246.db2.gz JUNCCSZKPSPOQB-RBSFLKMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705829 844057239 /nfs/dbraw/zinc/05/72/39/844057239.db2.gz JUNCCSZKPSPOQB-RBSFLKMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706028 844056345 /nfs/dbraw/zinc/05/63/45/844056345.db2.gz MWJBELHBHWPBOS-HUUCEWRRSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706028 844056337 /nfs/dbraw/zinc/05/63/37/844056337.db2.gz MWJBELHBHWPBOS-HUUCEWRRSA-N 2 1 354.495 -0.131 20 0 FBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706114 844056283 /nfs/dbraw/zinc/05/62/83/844056283.db2.gz OHILKISQTFGUKX-QLFBSQMISA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706114 844056274 /nfs/dbraw/zinc/05/62/74/844056274.db2.gz OHILKISQTFGUKX-QLFBSQMISA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706115 844056933 /nfs/dbraw/zinc/05/69/33/844056933.db2.gz OHILKISQTFGUKX-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706115 844056923 /nfs/dbraw/zinc/05/69/23/844056923.db2.gz OHILKISQTFGUKX-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706282 844055885 /nfs/dbraw/zinc/05/58/85/844055885.db2.gz XIKIQWXZMPTFFK-BZUAXINKSA-N 2 1 357.495 -0.211 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706287 844057136 /nfs/dbraw/zinc/05/71/36/844057136.db2.gz XIKIQWXZMPTFFK-OWCLPIDISA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706361 844056490 /nfs/dbraw/zinc/05/64/90/844056490.db2.gz XVQOCKZUEBWVKP-HZPDHXFCSA-N 2 1 357.495 -0.210 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749728 844061070 /nfs/dbraw/zinc/06/10/70/844061070.db2.gz CTDXHSXNJBZFNT-FRRDWIJNSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749728 844061061 /nfs/dbraw/zinc/06/10/61/844061061.db2.gz CTDXHSXNJBZFNT-FRRDWIJNSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749728 844061052 /nfs/dbraw/zinc/06/10/52/844061052.db2.gz CTDXHSXNJBZFNT-FRRDWIJNSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749728 844061049 /nfs/dbraw/zinc/06/10/49/844061049.db2.gz CTDXHSXNJBZFNT-FRRDWIJNSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749729 844061301 /nfs/dbraw/zinc/06/13/01/844061301.db2.gz CTDXHSXNJBZFNT-JHJVBQTASA-N 2 1 355.483 -0.003 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749729 844061291 /nfs/dbraw/zinc/06/12/91/844061291.db2.gz CTDXHSXNJBZFNT-JHJVBQTASA-N 2 1 355.483 -0.003 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749729 844061283 /nfs/dbraw/zinc/06/12/83/844061283.db2.gz CTDXHSXNJBZFNT-JHJVBQTASA-N 2 1 355.483 -0.003 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001207749729 844061279 /nfs/dbraw/zinc/06/12/79/844061279.db2.gz CTDXHSXNJBZFNT-JHJVBQTASA-N 2 1 355.483 -0.003 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750779 844061525 /nfs/dbraw/zinc/06/15/25/844061525.db2.gz YECIYBQAPMUIDZ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750779 844061518 /nfs/dbraw/zinc/06/15/18/844061518.db2.gz YECIYBQAPMUIDZ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750779 844061511 /nfs/dbraw/zinc/06/15/11/844061511.db2.gz YECIYBQAPMUIDZ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004731 844074413 /nfs/dbraw/zinc/07/44/13/844074413.db2.gz BZZYMHHLGCSIHP-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004731 844074406 /nfs/dbraw/zinc/07/44/06/844074406.db2.gz BZZYMHHLGCSIHP-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004759 844074030 /nfs/dbraw/zinc/07/40/30/844074030.db2.gz DFDRSMAMOLWNDO-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004759 844074021 /nfs/dbraw/zinc/07/40/21/844074021.db2.gz DFDRSMAMOLWNDO-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004760 844073454 /nfs/dbraw/zinc/07/34/54/844073454.db2.gz DFDRSMAMOLWNDO-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004760 844073446 /nfs/dbraw/zinc/07/34/46/844073446.db2.gz DFDRSMAMOLWNDO-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004814 844073523 /nfs/dbraw/zinc/07/35/23/844073523.db2.gz GKRDLVVRPSGFBF-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004814 844073514 /nfs/dbraw/zinc/07/35/14/844073514.db2.gz GKRDLVVRPSGFBF-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001208005157 844074451 /nfs/dbraw/zinc/07/44/51/844074451.db2.gz WUYCWGNGBGGXSB-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001208005157 844074446 /nfs/dbraw/zinc/07/44/46/844074446.db2.gz WUYCWGNGBGGXSB-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036336 844074121 /nfs/dbraw/zinc/07/41/21/844074121.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036336 844074114 /nfs/dbraw/zinc/07/41/14/844074114.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036336 844074109 /nfs/dbraw/zinc/07/41/09/844074109.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036337 844073803 /nfs/dbraw/zinc/07/38/03/844073803.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036337 844073797 /nfs/dbraw/zinc/07/37/97/844073797.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036337 844073791 /nfs/dbraw/zinc/07/37/91/844073791.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 2 1 353.463 -0.705 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208039687 844074921 /nfs/dbraw/zinc/07/49/21/844074921.db2.gz ZQXWFJFHJHEMRI-ILLDSPSKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208039687 844074914 /nfs/dbraw/zinc/07/49/14/844074914.db2.gz ZQXWFJFHJHEMRI-ILLDSPSKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208039687 844074903 /nfs/dbraw/zinc/07/49/03/844074903.db2.gz ZQXWFJFHJHEMRI-ILLDSPSKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208039687 844074897 /nfs/dbraw/zinc/07/48/97/844074897.db2.gz ZQXWFJFHJHEMRI-ILLDSPSKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208039688 844075556 /nfs/dbraw/zinc/07/55/56/844075556.db2.gz ZQXWFJFHJHEMRI-PGJZFTLKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208039688 844075547 /nfs/dbraw/zinc/07/55/47/844075547.db2.gz ZQXWFJFHJHEMRI-PGJZFTLKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208039688 844075537 /nfs/dbraw/zinc/07/55/37/844075537.db2.gz ZQXWFJFHJHEMRI-PGJZFTLKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208039688 844075528 /nfs/dbraw/zinc/07/55/28/844075528.db2.gz ZQXWFJFHJHEMRI-PGJZFTLKSA-N 2 1 350.463 -0.578 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001208070040 844076513 /nfs/dbraw/zinc/07/65/13/844076513.db2.gz BKYSGUSKVYEIBM-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001208070041 844077077 /nfs/dbraw/zinc/07/70/77/844077077.db2.gz BKYSGUSKVYEIBM-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070116 844076053 /nfs/dbraw/zinc/07/60/53/844076053.db2.gz DGQYNLIVEPULRI-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070117 844077015 /nfs/dbraw/zinc/07/70/15/844077015.db2.gz DGQYNLIVEPULRI-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070200 844076547 /nfs/dbraw/zinc/07/65/47/844076547.db2.gz GHRQYAAOXOGUSB-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070201 844077035 /nfs/dbraw/zinc/07/70/35/844077035.db2.gz GHRQYAAOXOGUSB-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001208073311 844076246 /nfs/dbraw/zinc/07/62/46/844076246.db2.gz HXBQIMKGCZBBPK-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001208073312 844076113 /nfs/dbraw/zinc/07/61/13/844076113.db2.gz HXBQIMKGCZBBPK-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001208073329 844076582 /nfs/dbraw/zinc/07/65/82/844076582.db2.gz IGKDBXLJRPQPNJ-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001208073330 844076454 /nfs/dbraw/zinc/07/64/54/844076454.db2.gz IGKDBXLJRPQPNJ-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208129273 844080034 /nfs/dbraw/zinc/08/00/34/844080034.db2.gz POHFZNWBVKOFHP-CHWSQXEVSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208129273 844080025 /nfs/dbraw/zinc/08/00/25/844080025.db2.gz POHFZNWBVKOFHP-CHWSQXEVSA-N 2 1 353.467 -0.118 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395771 844093232 /nfs/dbraw/zinc/09/32/32/844093232.db2.gz FMQYGTHRWGWZDM-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395771 844093222 /nfs/dbraw/zinc/09/32/22/844093222.db2.gz FMQYGTHRWGWZDM-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395771 844093215 /nfs/dbraw/zinc/09/32/15/844093215.db2.gz FMQYGTHRWGWZDM-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395771 844093205 /nfs/dbraw/zinc/09/32/05/844093205.db2.gz FMQYGTHRWGWZDM-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395772 844094015 /nfs/dbraw/zinc/09/40/15/844094015.db2.gz FMQYGTHRWGWZDM-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395772 844094002 /nfs/dbraw/zinc/09/40/02/844094002.db2.gz FMQYGTHRWGWZDM-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395772 844093990 /nfs/dbraw/zinc/09/39/90/844093990.db2.gz FMQYGTHRWGWZDM-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208395772 844093978 /nfs/dbraw/zinc/09/39/78/844093978.db2.gz FMQYGTHRWGWZDM-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001208407975 844094860 /nfs/dbraw/zinc/09/48/60/844094860.db2.gz PMKCHEOFPDCXOT-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001208407975 844094853 /nfs/dbraw/zinc/09/48/53/844094853.db2.gz PMKCHEOFPDCXOT-IIAWOOMASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001208407976 844095347 /nfs/dbraw/zinc/09/53/47/844095347.db2.gz PMKCHEOFPDCXOT-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)O1 ZINC001208407976 844095335 /nfs/dbraw/zinc/09/53/35/844095335.db2.gz PMKCHEOFPDCXOT-IJEWVQPXSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001208409764 844095680 /nfs/dbraw/zinc/09/56/80/844095680.db2.gz QUYUDEFEFFDXOY-CBBWQLFWSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001208409764 844095669 /nfs/dbraw/zinc/09/56/69/844095669.db2.gz QUYUDEFEFFDXOY-CBBWQLFWSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208409764 844095657 /nfs/dbraw/zinc/09/56/57/844095657.db2.gz QUYUDEFEFFDXOY-CBBWQLFWSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208409764 844095645 /nfs/dbraw/zinc/09/56/45/844095645.db2.gz QUYUDEFEFFDXOY-CBBWQLFWSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001208411162 844094572 /nfs/dbraw/zinc/09/45/72/844094572.db2.gz OAJDYQVLKHQHNF-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001208411162 844094562 /nfs/dbraw/zinc/09/45/62/844094562.db2.gz OAJDYQVLKHQHNF-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001208411163 844097345 /nfs/dbraw/zinc/09/73/45/844097345.db2.gz OAJDYQVLKHQHNF-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001208411163 844097336 /nfs/dbraw/zinc/09/73/36/844097336.db2.gz OAJDYQVLKHQHNF-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001208411244 844097838 /nfs/dbraw/zinc/09/78/38/844097838.db2.gz PLSVBIFVDTVNFF-QLFBSQMISA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001208411244 844097827 /nfs/dbraw/zinc/09/78/27/844097827.db2.gz PLSVBIFVDTVNFF-QLFBSQMISA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001208411245 844097890 /nfs/dbraw/zinc/09/78/90/844097890.db2.gz PLSVBIFVDTVNFF-RBSFLKMASA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)O1 ZINC001208411245 844097883 /nfs/dbraw/zinc/09/78/83/844097883.db2.gz PLSVBIFVDTVNFF-RBSFLKMASA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001208411384 844097681 /nfs/dbraw/zinc/09/76/81/844097681.db2.gz SMFOXMRGKLQOAP-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001208411384 844097670 /nfs/dbraw/zinc/09/76/70/844097670.db2.gz SMFOXMRGKLQOAP-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001208411385 844098084 /nfs/dbraw/zinc/09/80/84/844098084.db2.gz SMFOXMRGKLQOAP-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001208411385 844098067 /nfs/dbraw/zinc/09/80/67/844098067.db2.gz SMFOXMRGKLQOAP-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412775 844097587 /nfs/dbraw/zinc/09/75/87/844097587.db2.gz LZTHGDZZHRPSRF-ZOBORPQBSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412775 844097576 /nfs/dbraw/zinc/09/75/76/844097576.db2.gz LZTHGDZZHRPSRF-ZOBORPQBSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412775 844097565 /nfs/dbraw/zinc/09/75/65/844097565.db2.gz LZTHGDZZHRPSRF-ZOBORPQBSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412775 844097554 /nfs/dbraw/zinc/09/75/54/844097554.db2.gz LZTHGDZZHRPSRF-ZOBORPQBSA-N 2 1 353.467 -0.391 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425701 844097014 /nfs/dbraw/zinc/09/70/14/844097014.db2.gz UEMQBECYLLMOCJ-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425701 844097002 /nfs/dbraw/zinc/09/70/02/844097002.db2.gz UEMQBECYLLMOCJ-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425702 844096892 /nfs/dbraw/zinc/09/68/92/844096892.db2.gz UEOCMUZVRFUIJR-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425702 844096882 /nfs/dbraw/zinc/09/68/82/844096882.db2.gz UEOCMUZVRFUIJR-HUUCEWRRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425766 844097311 /nfs/dbraw/zinc/09/73/11/844097311.db2.gz XEDSFJQZFTYNPH-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425766 844097301 /nfs/dbraw/zinc/09/73/01/844097301.db2.gz XEDSFJQZFTYNPH-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208427799 844097204 /nfs/dbraw/zinc/09/72/04/844097204.db2.gz FJGQNOMNIHOKMT-ZIAGYGMSSA-N 2 1 350.463 -0.086 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432162 844098013 /nfs/dbraw/zinc/09/80/13/844098013.db2.gz NRFZAHJQVNGZLC-ZIAGYGMSSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432162 844098003 /nfs/dbraw/zinc/09/80/03/844098003.db2.gz NRFZAHJQVNGZLC-ZIAGYGMSSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434851 844098305 /nfs/dbraw/zinc/09/83/05/844098305.db2.gz FKMLYXSZJIQUOD-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434894 844097278 /nfs/dbraw/zinc/09/72/78/844097278.db2.gz HOTRQBAOJBZRKK-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434894 844097267 /nfs/dbraw/zinc/09/72/67/844097267.db2.gz HOTRQBAOJBZRKK-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434895 844097801 /nfs/dbraw/zinc/09/78/01/844097801.db2.gz HOTRQBAOJBZRKK-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434895 844097792 /nfs/dbraw/zinc/09/77/92/844097792.db2.gz HOTRQBAOJBZRKK-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434958 844096788 /nfs/dbraw/zinc/09/67/88/844096788.db2.gz LBYCKXVFVMLUMA-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434958 844096772 /nfs/dbraw/zinc/09/67/72/844096772.db2.gz LBYCKXVFVMLUMA-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434994 844098039 /nfs/dbraw/zinc/09/80/39/844098039.db2.gz NECNDXPDYZFVPO-CHWSQXEVSA-N 2 1 351.451 -0.684 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435116 844096971 /nfs/dbraw/zinc/09/69/71/844096971.db2.gz SURSXHXFUOHDHG-BZUAXINKSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435117 844097607 /nfs/dbraw/zinc/09/76/07/844097607.db2.gz SURSXHXFUOHDHG-OWCLPIDISA-N 2 1 357.495 -0.211 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435127 844097518 /nfs/dbraw/zinc/09/75/18/844097518.db2.gz UDTFNXQDOHJCMI-FRRDWIJNSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435127 844097507 /nfs/dbraw/zinc/09/75/07/844097507.db2.gz UDTFNXQDOHJCMI-FRRDWIJNSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435128 844097438 /nfs/dbraw/zinc/09/74/38/844097438.db2.gz UDTFNXQDOHJCMI-JHJVBQTASA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435128 844097427 /nfs/dbraw/zinc/09/74/27/844097427.db2.gz UDTFNXQDOHJCMI-JHJVBQTASA-N 2 1 353.467 -0.391 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445186 844100063 /nfs/dbraw/zinc/10/00/63/844100063.db2.gz VLDBTMLHZHYDRA-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445186 844100054 /nfs/dbraw/zinc/10/00/54/844100054.db2.gz VLDBTMLHZHYDRA-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445266 844099079 /nfs/dbraw/zinc/09/90/79/844099079.db2.gz YOHLNGVBFOMTCV-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445266 844099067 /nfs/dbraw/zinc/09/90/67/844099067.db2.gz YOHLNGVBFOMTCV-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447475 844099927 /nfs/dbraw/zinc/09/99/27/844099927.db2.gz GYKWAJMHIWOLLP-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447480 844099548 /nfs/dbraw/zinc/09/95/48/844099548.db2.gz HGIMCIAEPQGIEZ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447480 844099536 /nfs/dbraw/zinc/09/95/36/844099536.db2.gz HGIMCIAEPQGIEZ-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447481 844099783 /nfs/dbraw/zinc/09/97/83/844099783.db2.gz HGIMCIAEPQGIEZ-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447481 844099773 /nfs/dbraw/zinc/09/97/73/844099773.db2.gz HGIMCIAEPQGIEZ-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447666 844098988 /nfs/dbraw/zinc/09/89/88/844098988.db2.gz KNDFQYRKMHLVHE-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484874 844102238 /nfs/dbraw/zinc/10/22/38/844102238.db2.gz BLOMMMXDUXIJJH-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484874 844102228 /nfs/dbraw/zinc/10/22/28/844102228.db2.gz BLOMMMXDUXIJJH-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484896 844101896 /nfs/dbraw/zinc/10/18/96/844101896.db2.gz CDDRUIYBPQXTPD-DJIMGWMZSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484898 844102544 /nfs/dbraw/zinc/10/25/44/844102544.db2.gz CDDRUIYBPQXTPD-HYVNUMGLSA-N 2 1 357.495 -0.211 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485129 844104248 /nfs/dbraw/zinc/10/42/48/844104248.db2.gz FPBRPMCTWNRJDZ-UKRRQHHQSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485129 844104242 /nfs/dbraw/zinc/10/42/42/844104242.db2.gz FPBRPMCTWNRJDZ-UKRRQHHQSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485162 844103407 /nfs/dbraw/zinc/10/34/07/844103407.db2.gz GYLIJPGTYWOPJI-RHSMWYFYSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485483 844103555 /nfs/dbraw/zinc/10/35/55/844103555.db2.gz LYGQNTWXBGKZDF-MBNYWOFBSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485483 844103551 /nfs/dbraw/zinc/10/35/51/844103551.db2.gz LYGQNTWXBGKZDF-MBNYWOFBSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485484 844103343 /nfs/dbraw/zinc/10/33/43/844103343.db2.gz LYGQNTWXBGKZDF-YRGRVCCFSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485484 844103338 /nfs/dbraw/zinc/10/33/38/844103338.db2.gz LYGQNTWXBGKZDF-YRGRVCCFSA-N 2 1 353.467 -0.391 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485510 844103729 /nfs/dbraw/zinc/10/37/29/844103729.db2.gz MUIVBBWZPQKHJQ-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485510 844103724 /nfs/dbraw/zinc/10/37/24/844103724.db2.gz MUIVBBWZPQKHJQ-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208485968 844103743 /nfs/dbraw/zinc/10/37/43/844103743.db2.gz YMHKJLFMVSVMIP-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208486012 844103374 /nfs/dbraw/zinc/10/33/74/844103374.db2.gz ZZKUVUGDGRMXQI-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208486012 844103368 /nfs/dbraw/zinc/10/33/68/844103368.db2.gz ZZKUVUGDGRMXQI-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208494028 844103902 /nfs/dbraw/zinc/10/39/02/844103902.db2.gz BNUWBSXBJSPKPW-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208494028 844103897 /nfs/dbraw/zinc/10/38/97/844103897.db2.gz BNUWBSXBJSPKPW-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494118 844104058 /nfs/dbraw/zinc/10/40/58/844104058.db2.gz GREHLEVBRBIFBL-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494119 844103502 /nfs/dbraw/zinc/10/35/02/844103502.db2.gz GREHLEVBRBIFBL-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495888 844103970 /nfs/dbraw/zinc/10/39/70/844103970.db2.gz BPFAOVAGZWINRB-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495888 844103966 /nfs/dbraw/zinc/10/39/66/844103966.db2.gz BPFAOVAGZWINRB-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495889 844103394 /nfs/dbraw/zinc/10/33/94/844103394.db2.gz BPFAOVAGZWINRB-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495889 844103388 /nfs/dbraw/zinc/10/33/88/844103388.db2.gz BPFAOVAGZWINRB-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496020 844104125 /nfs/dbraw/zinc/10/41/25/844104125.db2.gz HAQYXBNMYJHBDK-BFYDXBDKSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496021 844103767 /nfs/dbraw/zinc/10/37/67/844103767.db2.gz HAQYXBNMYJHBDK-HLLBOEOZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496236 844104278 /nfs/dbraw/zinc/10/42/78/844104278.db2.gz NRIGCGFMROENLL-HUUCEWRRSA-N 2 1 363.524 -0.174 20 0 FBADMP COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496236 844104272 /nfs/dbraw/zinc/10/42/72/844104272.db2.gz NRIGCGFMROENLL-HUUCEWRRSA-N 2 1 363.524 -0.174 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496312 844103436 /nfs/dbraw/zinc/10/34/36/844103436.db2.gz PHNFLTZNKBZMCY-CHWSQXEVSA-N 2 1 355.483 -0.001 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496312 844103430 /nfs/dbraw/zinc/10/34/30/844103430.db2.gz PHNFLTZNKBZMCY-CHWSQXEVSA-N 2 1 355.483 -0.001 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496458 844103541 /nfs/dbraw/zinc/10/35/41/844103541.db2.gz TZUIAHCPPYPCBM-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496458 844103538 /nfs/dbraw/zinc/10/35/38/844103538.db2.gz TZUIAHCPPYPCBM-ZIAGYGMSSA-N 2 1 355.483 -0.144 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496459 844104345 /nfs/dbraw/zinc/10/43/45/844104345.db2.gz UBTWJUCVERTGTL-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496459 844104341 /nfs/dbraw/zinc/10/43/41/844104341.db2.gz UBTWJUCVERTGTL-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496460 844104081 /nfs/dbraw/zinc/10/40/81/844104081.db2.gz UBTWJUCVERTGTL-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496460 844104075 /nfs/dbraw/zinc/10/40/75/844104075.db2.gz UBTWJUCVERTGTL-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001208515660 844104159 /nfs/dbraw/zinc/10/41/59/844104159.db2.gz YBUKKIYGOIJYDG-UMVBOHGHSA-N 2 1 353.467 -0.439 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001208530225 844105242 /nfs/dbraw/zinc/10/52/42/844105242.db2.gz KVFBEHLRSFNOCF-RBSFLKMASA-N 2 1 362.540 -0.100 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001208530225 844105239 /nfs/dbraw/zinc/10/52/39/844105239.db2.gz KVFBEHLRSFNOCF-RBSFLKMASA-N 2 1 362.540 -0.100 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208530249 844105287 /nfs/dbraw/zinc/10/52/87/844105287.db2.gz LXHPKDWQODDQSM-BFYDXBDKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208530249 844105279 /nfs/dbraw/zinc/10/52/79/844105279.db2.gz LXHPKDWQODDQSM-BFYDXBDKSA-N 2 1 354.495 -0.132 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590019 844110024 /nfs/dbraw/zinc/11/00/24/844110024.db2.gz AGAUXRBSNSBETM-BFYDXBDKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590019 844110017 /nfs/dbraw/zinc/11/00/17/844110017.db2.gz AGAUXRBSNSBETM-BFYDXBDKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208590019 844110011 /nfs/dbraw/zinc/11/00/11/844110011.db2.gz AGAUXRBSNSBETM-BFYDXBDKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590022 844110221 /nfs/dbraw/zinc/11/02/21/844110221.db2.gz AGAUXRBSNSBETM-ZMSDIMECSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590022 844110214 /nfs/dbraw/zinc/11/02/14/844110214.db2.gz AGAUXRBSNSBETM-ZMSDIMECSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208590022 844110211 /nfs/dbraw/zinc/11/02/11/844110211.db2.gz AGAUXRBSNSBETM-ZMSDIMECSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)C1 ZINC001208591254 844110282 /nfs/dbraw/zinc/11/02/82/844110282.db2.gz SLTVDKWQOOZALM-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)C1 ZINC001208591254 844110281 /nfs/dbraw/zinc/11/02/81/844110281.db2.gz SLTVDKWQOOZALM-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)C1 ZINC001208591254 844110275 /nfs/dbraw/zinc/11/02/75/844110275.db2.gz SLTVDKWQOOZALM-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)C1 ZINC001208591254 844110271 /nfs/dbraw/zinc/11/02/71/844110271.db2.gz SLTVDKWQOOZALM-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591255 844109733 /nfs/dbraw/zinc/10/97/33/844109733.db2.gz SLTVDKWQOOZALM-RRFJBIMHSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591255 844109730 /nfs/dbraw/zinc/10/97/30/844109730.db2.gz SLTVDKWQOOZALM-RRFJBIMHSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208591255 844109722 /nfs/dbraw/zinc/10/97/22/844109722.db2.gz SLTVDKWQOOZALM-RRFJBIMHSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208591255 844109711 /nfs/dbraw/zinc/10/97/11/844109711.db2.gz SLTVDKWQOOZALM-RRFJBIMHSA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001208591311 844109389 /nfs/dbraw/zinc/10/93/89/844109389.db2.gz UIGBTSXXJPHFKE-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001208591311 844109383 /nfs/dbraw/zinc/10/93/83/844109383.db2.gz UIGBTSXXJPHFKE-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208591311 844109372 /nfs/dbraw/zinc/10/93/72/844109372.db2.gz UIGBTSXXJPHFKE-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208591311 844109361 /nfs/dbraw/zinc/10/93/61/844109361.db2.gz UIGBTSXXJPHFKE-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001208591312 844109298 /nfs/dbraw/zinc/10/92/98/844109298.db2.gz UIGBTSXXJPHFKE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001208591312 844109288 /nfs/dbraw/zinc/10/92/88/844109288.db2.gz UIGBTSXXJPHFKE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208591312 844109281 /nfs/dbraw/zinc/10/92/81/844109281.db2.gz UIGBTSXXJPHFKE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208591312 844109266 /nfs/dbraw/zinc/10/92/66/844109266.db2.gz UIGBTSXXJPHFKE-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208646835 844111987 /nfs/dbraw/zinc/11/19/87/844111987.db2.gz UDHHRHIAVGNHGP-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677169 844112728 /nfs/dbraw/zinc/11/27/28/844112728.db2.gz WUPQKNRHIIFAON-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677169 844112724 /nfs/dbraw/zinc/11/27/24/844112724.db2.gz WUPQKNRHIIFAON-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677169 844112717 /nfs/dbraw/zinc/11/27/17/844112717.db2.gz WUPQKNRHIIFAON-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677169 844112713 /nfs/dbraw/zinc/11/27/13/844112713.db2.gz WUPQKNRHIIFAON-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677172 844112764 /nfs/dbraw/zinc/11/27/64/844112764.db2.gz WUPQKNRHIIFAON-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677172 844112758 /nfs/dbraw/zinc/11/27/58/844112758.db2.gz WUPQKNRHIIFAON-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677172 844112754 /nfs/dbraw/zinc/11/27/54/844112754.db2.gz WUPQKNRHIIFAON-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677172 844112748 /nfs/dbraw/zinc/11/27/48/844112748.db2.gz WUPQKNRHIIFAON-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C)[NH+](C)C ZINC001208699097 844113127 /nfs/dbraw/zinc/11/31/27/844113127.db2.gz LWGNCQNXEZVIDE-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739096 844114406 /nfs/dbraw/zinc/11/44/06/844114406.db2.gz NMNFXGUPWVDZPL-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739097 844114287 /nfs/dbraw/zinc/11/42/87/844114287.db2.gz NMNFXGUPWVDZPL-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149886 844134351 /nfs/dbraw/zinc/13/43/51/844134351.db2.gz IHHAQNLOXUEMOF-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149886 844134349 /nfs/dbraw/zinc/13/43/49/844134349.db2.gz IHHAQNLOXUEMOF-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149911 844133799 /nfs/dbraw/zinc/13/37/99/844133799.db2.gz JOZXRLLEQKCIAZ-MBNYWOFBSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149911 844133794 /nfs/dbraw/zinc/13/37/94/844133794.db2.gz JOZXRLLEQKCIAZ-MBNYWOFBSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149915 844133959 /nfs/dbraw/zinc/13/39/59/844133959.db2.gz JOZXRLLEQKCIAZ-YRGRVCCFSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149915 844133952 /nfs/dbraw/zinc/13/39/52/844133952.db2.gz JOZXRLLEQKCIAZ-YRGRVCCFSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209151196 844134003 /nfs/dbraw/zinc/13/40/03/844134003.db2.gz ZZPNGKJOESMOPF-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209151196 844133999 /nfs/dbraw/zinc/13/39/99/844133999.db2.gz ZZPNGKJOESMOPF-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP CC[NH+](CC)CCN1CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209268357 844137995 /nfs/dbraw/zinc/13/79/95/844137995.db2.gz FKBXOKKXHSRJDW-IXDOHACOSA-N 2 1 359.511 -0.181 20 0 FBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209272798 844137529 /nfs/dbraw/zinc/13/75/29/844137529.db2.gz KWKMDAXCXHAFEO-JZAWBGDQSA-N 2 1 357.495 -0.430 20 0 FBADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CC2 ZINC001209273153 844137848 /nfs/dbraw/zinc/13/78/48/844137848.db2.gz OOYRKGLZLAXTGG-VNHYZAJKSA-N 2 1 357.451 -0.010 20 0 FBADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)O1 ZINC001209279224 844139591 /nfs/dbraw/zinc/13/95/91/844139591.db2.gz VFUUWCXIAAPBFM-IXDOHACOSA-N 2 1 357.495 -0.427 20 0 FBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209281003 844139286 /nfs/dbraw/zinc/13/92/86/844139286.db2.gz MIDCHLTYXVDUOY-HGTKMLMNSA-N 2 1 359.467 -0.998 20 0 FBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCN3CCOCC3)CC[C@@H]2C1 ZINC001209289335 844140564 /nfs/dbraw/zinc/14/05/64/844140564.db2.gz AYUXFZPCTNQHIT-IAGOWNOFSA-N 2 1 354.495 -0.571 20 0 FBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCN3CCOCC3)CC[C@@H]2C1 ZINC001209289335 844140557 /nfs/dbraw/zinc/14/05/57/844140557.db2.gz AYUXFZPCTNQHIT-IAGOWNOFSA-N 2 1 354.495 -0.571 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCN3CCOCC3)CC[C@@H]2C1 ZINC001209289335 844140552 /nfs/dbraw/zinc/14/05/52/844140552.db2.gz AYUXFZPCTNQHIT-IAGOWNOFSA-N 2 1 354.495 -0.571 20 0 FBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327784 844141727 /nfs/dbraw/zinc/14/17/27/844141727.db2.gz PVCREWNMFPEZJX-UKRRQHHQSA-N 2 1 350.467 -0.369 20 0 FBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327784 844141721 /nfs/dbraw/zinc/14/17/21/844141721.db2.gz PVCREWNMFPEZJX-UKRRQHHQSA-N 2 1 350.467 -0.369 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001209328193 844142101 /nfs/dbraw/zinc/14/21/01/844142101.db2.gz WHQZGNAMMGIPGT-GDBMZVCRSA-N 2 1 353.467 -0.496 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328202 844141856 /nfs/dbraw/zinc/14/18/56/844141856.db2.gz WTKDWUCKBUVIEN-FVQBIDKESA-N 2 1 353.467 -0.498 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328203 844141651 /nfs/dbraw/zinc/14/16/51/844141651.db2.gz WTKDWUCKBUVIEN-VNQPRFMTSA-N 2 1 353.467 -0.498 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478549 844150103 /nfs/dbraw/zinc/15/01/03/844150103.db2.gz VYDDFWSILAFYQN-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478549 844150101 /nfs/dbraw/zinc/15/01/01/844150101.db2.gz VYDDFWSILAFYQN-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209478549 844150098 /nfs/dbraw/zinc/15/00/98/844150098.db2.gz VYDDFWSILAFYQN-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478551 844149793 /nfs/dbraw/zinc/14/97/93/844149793.db2.gz VYDDFWSILAFYQN-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478551 844149785 /nfs/dbraw/zinc/14/97/85/844149785.db2.gz VYDDFWSILAFYQN-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209478551 844149774 /nfs/dbraw/zinc/14/97/74/844149774.db2.gz VYDDFWSILAFYQN-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478644 844150252 /nfs/dbraw/zinc/15/02/52/844150252.db2.gz XHYWCLOEMHTIRO-IAGOWNOFSA-N 2 1 357.495 -0.066 20 0 FBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478644 844150239 /nfs/dbraw/zinc/15/02/39/844150239.db2.gz XHYWCLOEMHTIRO-IAGOWNOFSA-N 2 1 357.495 -0.066 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506144 844151028 /nfs/dbraw/zinc/15/10/28/844151028.db2.gz GIKHZDSWPKDRHC-HUUCEWRRSA-N 2 1 353.467 -0.830 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506144 844151024 /nfs/dbraw/zinc/15/10/24/844151024.db2.gz GIKHZDSWPKDRHC-HUUCEWRRSA-N 2 1 353.467 -0.830 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507098 844151215 /nfs/dbraw/zinc/15/12/15/844151215.db2.gz YMGQUPDKZYOGHA-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507098 844151211 /nfs/dbraw/zinc/15/12/11/844151211.db2.gz YMGQUPDKZYOGHA-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507099 844151046 /nfs/dbraw/zinc/15/10/46/844151046.db2.gz YMGQUPDKZYOGHA-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507099 844151044 /nfs/dbraw/zinc/15/10/44/844151044.db2.gz YMGQUPDKZYOGHA-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514779 844152640 /nfs/dbraw/zinc/15/26/40/844152640.db2.gz ORIHGWPDTDXTFB-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514779 844152635 /nfs/dbraw/zinc/15/26/35/844152635.db2.gz ORIHGWPDTDXTFB-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001209585268 844155203 /nfs/dbraw/zinc/15/52/03/844155203.db2.gz JCTILVVAAOTGKV-NFAWXSAZSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001209585268 844155197 /nfs/dbraw/zinc/15/51/97/844155197.db2.gz JCTILVVAAOTGKV-NFAWXSAZSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001209585269 844155006 /nfs/dbraw/zinc/15/50/06/844155006.db2.gz JCTILVVAAOTGKV-UMVBOHGHSA-N 2 1 355.483 -0.016 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001209585269 844155005 /nfs/dbraw/zinc/15/50/05/844155005.db2.gz JCTILVVAAOTGKV-UMVBOHGHSA-N 2 1 355.483 -0.016 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626522 844156481 /nfs/dbraw/zinc/15/64/81/844156481.db2.gz VAHRTBDSGHIYJQ-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626522 844156476 /nfs/dbraw/zinc/15/64/76/844156476.db2.gz VAHRTBDSGHIYJQ-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626525 844156122 /nfs/dbraw/zinc/15/61/22/844156122.db2.gz VAHRTBDSGHIYJQ-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626525 844156117 /nfs/dbraw/zinc/15/61/17/844156117.db2.gz VAHRTBDSGHIYJQ-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001209635316 844156730 /nfs/dbraw/zinc/15/67/30/844156730.db2.gz RCECVRLMANLJRB-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001209635316 844156722 /nfs/dbraw/zinc/15/67/22/844156722.db2.gz RCECVRLMANLJRB-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001209642253 844156035 /nfs/dbraw/zinc/15/60/35/844156035.db2.gz FADUWALLXSXGQX-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001209642834 844156613 /nfs/dbraw/zinc/15/66/13/844156613.db2.gz QUXZIJSIYHMBBA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001209642834 844156606 /nfs/dbraw/zinc/15/66/06/844156606.db2.gz QUXZIJSIYHMBBA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001209642837 844155989 /nfs/dbraw/zinc/15/59/89/844155989.db2.gz QUXZIJSIYHMBBA-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001209642837 844155981 /nfs/dbraw/zinc/15/59/81/844155981.db2.gz QUXZIJSIYHMBBA-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830298 844164749 /nfs/dbraw/zinc/16/47/49/844164749.db2.gz XBELUQHTZDWSFI-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830298 844164742 /nfs/dbraw/zinc/16/47/42/844164742.db2.gz XBELUQHTZDWSFI-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830299 844164466 /nfs/dbraw/zinc/16/44/66/844164466.db2.gz XBELUQHTZDWSFI-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830299 844164459 /nfs/dbraw/zinc/16/44/59/844164459.db2.gz XBELUQHTZDWSFI-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835875 844164642 /nfs/dbraw/zinc/16/46/42/844164642.db2.gz CXAFMFNBADPKEV-GDBMZVCRSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836332 844164150 /nfs/dbraw/zinc/16/41/50/844164150.db2.gz KXORMPBJSBFQAI-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836332 844164143 /nfs/dbraw/zinc/16/41/43/844164143.db2.gz KXORMPBJSBFQAI-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836786 844163891 /nfs/dbraw/zinc/16/38/91/844163891.db2.gz QXJVNFVNVNMTBT-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836788 844164672 /nfs/dbraw/zinc/16/46/72/844164672.db2.gz QXJVNFVNVNMTBT-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837311 844164507 /nfs/dbraw/zinc/16/45/07/844164507.db2.gz VWJFVFBBJNVATD-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837311 844164503 /nfs/dbraw/zinc/16/45/03/844164503.db2.gz VWJFVFBBJNVATD-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958162 844169890 /nfs/dbraw/zinc/16/98/90/844169890.db2.gz WGTQUDHHWSOXKZ-TZMCWYRMSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958162 844169883 /nfs/dbraw/zinc/16/98/83/844169883.db2.gz WGTQUDHHWSOXKZ-TZMCWYRMSA-N 2 1 353.467 -0.262 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210032836 844170895 /nfs/dbraw/zinc/17/08/95/844170895.db2.gz BMOUGJYYXUENSJ-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210032836 844170886 /nfs/dbraw/zinc/17/08/86/844170886.db2.gz BMOUGJYYXUENSJ-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210032836 844170882 /nfs/dbraw/zinc/17/08/82/844170882.db2.gz BMOUGJYYXUENSJ-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210032836 844170874 /nfs/dbraw/zinc/17/08/74/844170874.db2.gz BMOUGJYYXUENSJ-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033167 844170555 /nfs/dbraw/zinc/17/05/55/844170555.db2.gz KIZZUMAHWWZTAN-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033167 844170552 /nfs/dbraw/zinc/17/05/52/844170552.db2.gz KIZZUMAHWWZTAN-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033167 844170546 /nfs/dbraw/zinc/17/05/46/844170546.db2.gz KIZZUMAHWWZTAN-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033167 844170542 /nfs/dbraw/zinc/17/05/42/844170542.db2.gz KIZZUMAHWWZTAN-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033169 844170812 /nfs/dbraw/zinc/17/08/12/844170812.db2.gz KIZZUMAHWWZTAN-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033169 844170805 /nfs/dbraw/zinc/17/08/05/844170805.db2.gz KIZZUMAHWWZTAN-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033169 844170801 /nfs/dbraw/zinc/17/08/01/844170801.db2.gz KIZZUMAHWWZTAN-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033169 844170796 /nfs/dbraw/zinc/17/07/96/844170796.db2.gz KIZZUMAHWWZTAN-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210033283 844171410 /nfs/dbraw/zinc/17/14/10/844171410.db2.gz MLXVLXWOIRXBFP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210033283 844171404 /nfs/dbraw/zinc/17/14/04/844171404.db2.gz MLXVLXWOIRXBFP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210033283 844171399 /nfs/dbraw/zinc/17/13/99/844171399.db2.gz MLXVLXWOIRXBFP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210033283 844171395 /nfs/dbraw/zinc/17/13/95/844171395.db2.gz MLXVLXWOIRXBFP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210040112 844170473 /nfs/dbraw/zinc/17/04/73/844170473.db2.gz ADQICZDLVNEKGR-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210040112 844170468 /nfs/dbraw/zinc/17/04/68/844170468.db2.gz ADQICZDLVNEKGR-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210040276 844171017 /nfs/dbraw/zinc/17/10/17/844171017.db2.gz FCQVZFPXFIDXIH-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210040276 844171012 /nfs/dbraw/zinc/17/10/12/844171012.db2.gz FCQVZFPXFIDXIH-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170644 /nfs/dbraw/zinc/17/06/44/844170644.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170640 /nfs/dbraw/zinc/17/06/40/844170640.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170633 /nfs/dbraw/zinc/17/06/33/844170633.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170627 /nfs/dbraw/zinc/17/06/27/844170627.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170622 /nfs/dbraw/zinc/17/06/22/844170622.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171242 /nfs/dbraw/zinc/17/12/42/844171242.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171235 /nfs/dbraw/zinc/17/12/35/844171235.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171227 /nfs/dbraw/zinc/17/12/27/844171227.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171220 /nfs/dbraw/zinc/17/12/20/844171220.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171211 /nfs/dbraw/zinc/17/12/11/844171211.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210276533 844182383 /nfs/dbraw/zinc/18/23/83/844182383.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210276533 844182379 /nfs/dbraw/zinc/18/23/79/844182379.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276533 844182378 /nfs/dbraw/zinc/18/23/78/844182378.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210276536 844182433 /nfs/dbraw/zinc/18/24/33/844182433.db2.gz KNHCIYNYEDRKHX-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210276536 844182431 /nfs/dbraw/zinc/18/24/31/844182431.db2.gz KNHCIYNYEDRKHX-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210276536 844182429 /nfs/dbraw/zinc/18/24/29/844182429.db2.gz KNHCIYNYEDRKHX-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210277555 844182375 /nfs/dbraw/zinc/18/23/75/844182375.db2.gz VFVPSSHGCYGKPW-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210277555 844182374 /nfs/dbraw/zinc/18/23/74/844182374.db2.gz VFVPSSHGCYGKPW-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277555 844182373 /nfs/dbraw/zinc/18/23/73/844182373.db2.gz VFVPSSHGCYGKPW-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277555 844182372 /nfs/dbraw/zinc/18/23/72/844182372.db2.gz VFVPSSHGCYGKPW-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210277561 844182312 /nfs/dbraw/zinc/18/23/12/844182312.db2.gz VFVPSSHGCYGKPW-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210277561 844182310 /nfs/dbraw/zinc/18/23/10/844182310.db2.gz VFVPSSHGCYGKPW-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277561 844182305 /nfs/dbraw/zinc/18/23/05/844182305.db2.gz VFVPSSHGCYGKPW-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277561 844182300 /nfs/dbraw/zinc/18/23/00/844182300.db2.gz VFVPSSHGCYGKPW-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210297127 844182497 /nfs/dbraw/zinc/18/24/97/844182497.db2.gz AYSNXSRODZEMST-IIAWOOMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210297127 844182494 /nfs/dbraw/zinc/18/24/94/844182494.db2.gz AYSNXSRODZEMST-IIAWOOMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210297128 844182542 /nfs/dbraw/zinc/18/25/42/844182542.db2.gz AYSNXSRODZEMST-IJEWVQPXSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210297128 844182539 /nfs/dbraw/zinc/18/25/39/844182539.db2.gz AYSNXSRODZEMST-IJEWVQPXSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297176 844182260 /nfs/dbraw/zinc/18/22/60/844182260.db2.gz CRIMGWIDFMFONN-ZIAGYGMSSA-N 2 1 354.451 -0.850 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210297879 844183568 /nfs/dbraw/zinc/18/35/68/844183568.db2.gz IWDPPDUJOCQUBV-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210297879 844183562 /nfs/dbraw/zinc/18/35/62/844183562.db2.gz IWDPPDUJOCQUBV-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297879 844183556 /nfs/dbraw/zinc/18/35/56/844183556.db2.gz IWDPPDUJOCQUBV-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297879 844183554 /nfs/dbraw/zinc/18/35/54/844183554.db2.gz IWDPPDUJOCQUBV-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210297880 844183938 /nfs/dbraw/zinc/18/39/38/844183938.db2.gz IWDPPDUJOCQUBV-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210297880 844183933 /nfs/dbraw/zinc/18/39/33/844183933.db2.gz IWDPPDUJOCQUBV-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297880 844183929 /nfs/dbraw/zinc/18/39/29/844183929.db2.gz IWDPPDUJOCQUBV-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297880 844183924 /nfs/dbraw/zinc/18/39/24/844183924.db2.gz IWDPPDUJOCQUBV-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210297881 844183459 /nfs/dbraw/zinc/18/34/59/844183459.db2.gz IWDTYTYAIHKLCA-RBSFLKMASA-N 2 1 363.524 -0.318 20 0 FBADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210297881 844183456 /nfs/dbraw/zinc/18/34/56/844183456.db2.gz IWDTYTYAIHKLCA-RBSFLKMASA-N 2 1 363.524 -0.318 20 0 FBADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210297887 844183268 /nfs/dbraw/zinc/18/32/68/844183268.db2.gz IWDTYTYAIHKLCA-RRFJBIMHSA-N 2 1 363.524 -0.318 20 0 FBADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210297887 844183266 /nfs/dbraw/zinc/18/32/66/844183266.db2.gz IWDTYTYAIHKLCA-RRFJBIMHSA-N 2 1 363.524 -0.318 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298573 844183947 /nfs/dbraw/zinc/18/39/47/844183947.db2.gz PCBXIMBBNNRGLV-BZUAXINKSA-N 2 1 353.467 -0.741 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298576 844183814 /nfs/dbraw/zinc/18/38/14/844183814.db2.gz PCBXIMBBNNRGLV-OWCLPIDISA-N 2 1 353.467 -0.741 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210298889 844183446 /nfs/dbraw/zinc/18/34/46/844183446.db2.gz SUOVHRBXAKGNRE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210298889 844183442 /nfs/dbraw/zinc/18/34/42/844183442.db2.gz SUOVHRBXAKGNRE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298889 844183433 /nfs/dbraw/zinc/18/34/33/844183433.db2.gz SUOVHRBXAKGNRE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298889 844183429 /nfs/dbraw/zinc/18/34/29/844183429.db2.gz SUOVHRBXAKGNRE-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210298890 844183365 /nfs/dbraw/zinc/18/33/65/844183365.db2.gz SUOVHRBXAKGNRE-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210298890 844183362 /nfs/dbraw/zinc/18/33/62/844183362.db2.gz SUOVHRBXAKGNRE-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298890 844183357 /nfs/dbraw/zinc/18/33/57/844183357.db2.gz SUOVHRBXAKGNRE-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298890 844183352 /nfs/dbraw/zinc/18/33/52/844183352.db2.gz SUOVHRBXAKGNRE-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210298902 844183622 /nfs/dbraw/zinc/18/36/22/844183622.db2.gz TVGNALAKGBPDBT-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210298902 844183619 /nfs/dbraw/zinc/18/36/19/844183619.db2.gz TVGNALAKGBPDBT-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298902 844183614 /nfs/dbraw/zinc/18/36/14/844183614.db2.gz TVGNALAKGBPDBT-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298902 844183607 /nfs/dbraw/zinc/18/36/07/844183607.db2.gz TVGNALAKGBPDBT-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210298903 844183201 /nfs/dbraw/zinc/18/32/01/844183201.db2.gz TVGNALAKGBPDBT-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210298903 844183196 /nfs/dbraw/zinc/18/31/96/844183196.db2.gz TVGNALAKGBPDBT-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298903 844183191 /nfs/dbraw/zinc/18/31/91/844183191.db2.gz TVGNALAKGBPDBT-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298903 844183188 /nfs/dbraw/zinc/18/31/88/844183188.db2.gz TVGNALAKGBPDBT-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210298935 844183514 /nfs/dbraw/zinc/18/35/14/844183514.db2.gz VERWAYAOBQGUSL-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210298935 844183510 /nfs/dbraw/zinc/18/35/10/844183510.db2.gz VERWAYAOBQGUSL-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298935 844183506 /nfs/dbraw/zinc/18/35/06/844183506.db2.gz VERWAYAOBQGUSL-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298935 844183500 /nfs/dbraw/zinc/18/35/00/844183500.db2.gz VERWAYAOBQGUSL-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210298936 844183171 /nfs/dbraw/zinc/18/31/71/844183171.db2.gz VERWAYAOBQGUSL-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210298936 844183165 /nfs/dbraw/zinc/18/31/65/844183165.db2.gz VERWAYAOBQGUSL-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298936 844183161 /nfs/dbraw/zinc/18/31/61/844183161.db2.gz VERWAYAOBQGUSL-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298936 844183157 /nfs/dbraw/zinc/18/31/57/844183157.db2.gz VERWAYAOBQGUSL-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314554 844183707 /nfs/dbraw/zinc/18/37/07/844183707.db2.gz AUIVPUNIQWQJTP-GDBMZVCRSA-N 2 1 358.483 -0.846 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314627 844183394 /nfs/dbraw/zinc/18/33/94/844183394.db2.gz BQBCNBLXYREWQO-HUUCEWRRSA-N 2 1 358.483 -0.846 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314627 844183392 /nfs/dbraw/zinc/18/33/92/844183392.db2.gz BQBCNBLXYREWQO-HUUCEWRRSA-N 2 1 358.483 -0.846 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314648 844183844 /nfs/dbraw/zinc/18/38/44/844183844.db2.gz BZNQKQDLJGRKHF-BZUAXINKSA-N 2 1 361.483 -0.975 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314661 844183407 /nfs/dbraw/zinc/18/34/07/844183407.db2.gz BZNQKQDLJGRKHF-OWCLPIDISA-N 2 1 361.483 -0.975 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314896 844183959 /nfs/dbraw/zinc/18/39/59/844183959.db2.gz GAJOVMNHWCYBKP-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314896 844183955 /nfs/dbraw/zinc/18/39/55/844183955.db2.gz GAJOVMNHWCYBKP-GDBMZVCRSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315051 844183680 /nfs/dbraw/zinc/18/36/80/844183680.db2.gz KGPAXBXNDVZZPF-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315052 844184389 /nfs/dbraw/zinc/18/43/89/844184389.db2.gz KGPAXBXNDVZZPF-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315228 844185222 /nfs/dbraw/zinc/18/52/22/844185222.db2.gz MWYGSKJZLVCWTL-QLFBSQMISA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315228 844185218 /nfs/dbraw/zinc/18/52/18/844185218.db2.gz MWYGSKJZLVCWTL-QLFBSQMISA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315230 844184460 /nfs/dbraw/zinc/18/44/60/844184460.db2.gz MWYGSKJZLVCWTL-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315230 844184453 /nfs/dbraw/zinc/18/44/53/844184453.db2.gz MWYGSKJZLVCWTL-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315786 844185234 /nfs/dbraw/zinc/18/52/34/844185234.db2.gz WIFAQXGAZZYFDM-CZUORRHYSA-N 2 1 352.483 -0.090 20 0 FBADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315857 844185127 /nfs/dbraw/zinc/18/51/27/844185127.db2.gz WZPRLYZKHMQEHP-GDBMZVCRSA-N 2 1 350.463 -0.100 20 0 FBADMP COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315866 844185269 /nfs/dbraw/zinc/18/52/69/844185269.db2.gz XGVGDRXYNNBSLX-UKRRQHHQSA-N 2 1 351.451 0.000 20 0 FBADMP COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315866 844185263 /nfs/dbraw/zinc/18/52/63/844185263.db2.gz XGVGDRXYNNBSLX-UKRRQHHQSA-N 2 1 351.451 0.000 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315921 844185065 /nfs/dbraw/zinc/18/50/65/844185065.db2.gz ZGMFWWMAUSZDEH-GDBMZVCRSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315921 844185058 /nfs/dbraw/zinc/18/50/58/844185058.db2.gz ZGMFWWMAUSZDEH-GDBMZVCRSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322365 844184598 /nfs/dbraw/zinc/18/45/98/844184598.db2.gz PVPMUGNXVRXQSE-QLFBSQMISA-N 2 1 350.467 -0.220 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322369 844185192 /nfs/dbraw/zinc/18/51/92/844185192.db2.gz PVPMUGNXVRXQSE-RBSFLKMASA-N 2 1 350.467 -0.220 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210322457 844185178 /nfs/dbraw/zinc/18/51/78/844185178.db2.gz RYIFFOBHLVZUDN-HUUCEWRRSA-N 2 1 357.499 -0.291 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329876 844184690 /nfs/dbraw/zinc/18/46/90/844184690.db2.gz JBDLQAUEEYXUIS-FRRDWIJNSA-N 2 1 351.451 -0.637 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329876 844184684 /nfs/dbraw/zinc/18/46/84/844184684.db2.gz JBDLQAUEEYXUIS-FRRDWIJNSA-N 2 1 351.451 -0.637 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329877 844185171 /nfs/dbraw/zinc/18/51/71/844185171.db2.gz JBDLQAUEEYXUIS-JHJVBQTASA-N 2 1 351.451 -0.637 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329877 844185167 /nfs/dbraw/zinc/18/51/67/844185167.db2.gz JBDLQAUEEYXUIS-JHJVBQTASA-N 2 1 351.451 -0.637 20 0 FBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330032 844184625 /nfs/dbraw/zinc/18/46/25/844184625.db2.gz LWYWYGHDSXMWGC-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330032 844184621 /nfs/dbraw/zinc/18/46/21/844184621.db2.gz LWYWYGHDSXMWGC-HUUCEWRRSA-N 2 1 352.479 -0.329 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330178 844184822 /nfs/dbraw/zinc/18/48/22/844184822.db2.gz QOOLHGCLIUAMDI-ZIAGYGMSSA-N 2 1 358.508 -0.542 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330178 844184815 /nfs/dbraw/zinc/18/48/15/844184815.db2.gz QOOLHGCLIUAMDI-ZIAGYGMSSA-N 2 1 358.508 -0.542 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330211 844185139 /nfs/dbraw/zinc/18/51/39/844185139.db2.gz RVQLXPYVTFLZMK-BZUAXINKSA-N 2 1 355.479 -0.457 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330212 844185248 /nfs/dbraw/zinc/18/52/48/844185248.db2.gz RVQLXPYVTFLZMK-OWCLPIDISA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330351 844184487 /nfs/dbraw/zinc/18/44/87/844184487.db2.gz WCKSDUJSWGHWPK-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330351 844184482 /nfs/dbraw/zinc/18/44/82/844184482.db2.gz WCKSDUJSWGHWPK-ZIAGYGMSSA-N 2 1 358.508 -0.590 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330436 844184428 /nfs/dbraw/zinc/18/44/28/844184428.db2.gz YBLMDKNYCIPJAE-GDBMZVCRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433576 844187283 /nfs/dbraw/zinc/18/72/83/844187283.db2.gz SUUKDPHCIQASSI-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433805 844187447 /nfs/dbraw/zinc/18/74/47/844187447.db2.gz XRVJWUSWNMUQTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433805 844187444 /nfs/dbraw/zinc/18/74/44/844187444.db2.gz XRVJWUSWNMUQTA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433806 844187897 /nfs/dbraw/zinc/18/78/97/844187897.db2.gz XRVJWUSWNMUQTA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433806 844187893 /nfs/dbraw/zinc/18/78/93/844187893.db2.gz XRVJWUSWNMUQTA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497327 844190318 /nfs/dbraw/zinc/19/03/18/844190318.db2.gz DANBNPSPMXOKLC-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497327 844190312 /nfs/dbraw/zinc/19/03/12/844190312.db2.gz DANBNPSPMXOKLC-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497327 844190304 /nfs/dbraw/zinc/19/03/04/844190304.db2.gz DANBNPSPMXOKLC-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499097 844190590 /nfs/dbraw/zinc/19/05/90/844190590.db2.gz PMVAZEZEHCSQGA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499097 844190586 /nfs/dbraw/zinc/19/05/86/844190586.db2.gz PMVAZEZEHCSQGA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499097 844190582 /nfs/dbraw/zinc/19/05/82/844190582.db2.gz PMVAZEZEHCSQGA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499097 844190579 /nfs/dbraw/zinc/19/05/79/844190579.db2.gz PMVAZEZEHCSQGA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499099 844190511 /nfs/dbraw/zinc/19/05/11/844190511.db2.gz PMVAZEZEHCSQGA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499099 844190504 /nfs/dbraw/zinc/19/05/04/844190504.db2.gz PMVAZEZEHCSQGA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499099 844190497 /nfs/dbraw/zinc/19/04/97/844190497.db2.gz PMVAZEZEHCSQGA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001210499099 844190489 /nfs/dbraw/zinc/19/04/89/844190489.db2.gz PMVAZEZEHCSQGA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210513493 844189682 /nfs/dbraw/zinc/18/96/82/844189682.db2.gz IYRSQLWBCPYEDS-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210513493 844189677 /nfs/dbraw/zinc/18/96/77/844189677.db2.gz IYRSQLWBCPYEDS-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210513493 844189665 /nfs/dbraw/zinc/18/96/65/844189665.db2.gz IYRSQLWBCPYEDS-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001210513493 844189656 /nfs/dbraw/zinc/18/96/56/844189656.db2.gz IYRSQLWBCPYEDS-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513879 844190015 /nfs/dbraw/zinc/19/00/15/844190015.db2.gz NREYEVNEEVGOMB-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513879 844190009 /nfs/dbraw/zinc/19/00/09/844190009.db2.gz NREYEVNEEVGOMB-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513879 844190003 /nfs/dbraw/zinc/19/00/03/844190003.db2.gz NREYEVNEEVGOMB-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513879 844189999 /nfs/dbraw/zinc/18/99/99/844189999.db2.gz NREYEVNEEVGOMB-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513880 844189974 /nfs/dbraw/zinc/18/99/74/844189974.db2.gz NREYEVNEEVGOMB-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513880 844189969 /nfs/dbraw/zinc/18/99/69/844189969.db2.gz NREYEVNEEVGOMB-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513880 844189964 /nfs/dbraw/zinc/18/99/64/844189964.db2.gz NREYEVNEEVGOMB-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210513880 844189957 /nfs/dbraw/zinc/18/99/57/844189957.db2.gz NREYEVNEEVGOMB-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210521662 844191730 /nfs/dbraw/zinc/19/17/30/844191730.db2.gz NEOSDAZHXSXOLE-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210521662 844191721 /nfs/dbraw/zinc/19/17/21/844191721.db2.gz NEOSDAZHXSXOLE-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210521662 844191715 /nfs/dbraw/zinc/19/17/15/844191715.db2.gz NEOSDAZHXSXOLE-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210528864 844191347 /nfs/dbraw/zinc/19/13/47/844191347.db2.gz KHZXEKCHKNYYSH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210528864 844191338 /nfs/dbraw/zinc/19/13/38/844191338.db2.gz KHZXEKCHKNYYSH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210528864 844191333 /nfs/dbraw/zinc/19/13/33/844191333.db2.gz KHZXEKCHKNYYSH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210528864 844191326 /nfs/dbraw/zinc/19/13/26/844191326.db2.gz KHZXEKCHKNYYSH-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210528865 844191882 /nfs/dbraw/zinc/19/18/82/844191882.db2.gz KHZXEKCHKNYYSH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210528865 844191875 /nfs/dbraw/zinc/19/18/75/844191875.db2.gz KHZXEKCHKNYYSH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210528865 844191866 /nfs/dbraw/zinc/19/18/66/844191866.db2.gz KHZXEKCHKNYYSH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210528865 844191857 /nfs/dbraw/zinc/19/18/57/844191857.db2.gz KHZXEKCHKNYYSH-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210528902 844192071 /nfs/dbraw/zinc/19/20/71/844192071.db2.gz MBESNNPWUUGSBJ-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210528902 844192064 /nfs/dbraw/zinc/19/20/64/844192064.db2.gz MBESNNPWUUGSBJ-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210528902 844192054 /nfs/dbraw/zinc/19/20/54/844192054.db2.gz MBESNNPWUUGSBJ-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025187 844207529 /nfs/dbraw/zinc/20/75/29/844207529.db2.gz FRPLUHFFXQCEJY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211025187 844207521 /nfs/dbraw/zinc/20/75/21/844207521.db2.gz FRPLUHFFXQCEJY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025187 844207513 /nfs/dbraw/zinc/20/75/13/844207513.db2.gz FRPLUHFFXQCEJY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025190 844207767 /nfs/dbraw/zinc/20/77/67/844207767.db2.gz FRPLUHFFXQCEJY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211025190 844207762 /nfs/dbraw/zinc/20/77/62/844207762.db2.gz FRPLUHFFXQCEJY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025190 844207752 /nfs/dbraw/zinc/20/77/52/844207752.db2.gz FRPLUHFFXQCEJY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025256 844208077 /nfs/dbraw/zinc/20/80/77/844208077.db2.gz HJHIDBGANGHSIP-MBNYWOFBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211025256 844208067 /nfs/dbraw/zinc/20/80/67/844208067.db2.gz HJHIDBGANGHSIP-MBNYWOFBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025256 844208057 /nfs/dbraw/zinc/20/80/57/844208057.db2.gz HJHIDBGANGHSIP-MBNYWOFBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025256 844208052 /nfs/dbraw/zinc/20/80/52/844208052.db2.gz HJHIDBGANGHSIP-MBNYWOFBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025257 844209042 /nfs/dbraw/zinc/20/90/42/844209042.db2.gz HJHIDBGANGHSIP-YRGRVCCFSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211025257 844209034 /nfs/dbraw/zinc/20/90/34/844209034.db2.gz HJHIDBGANGHSIP-YRGRVCCFSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025257 844209025 /nfs/dbraw/zinc/20/90/25/844209025.db2.gz HJHIDBGANGHSIP-YRGRVCCFSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025257 844209017 /nfs/dbraw/zinc/20/90/17/844209017.db2.gz HJHIDBGANGHSIP-YRGRVCCFSA-N 2 1 351.451 -0.637 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026246 844207588 /nfs/dbraw/zinc/20/75/88/844207588.db2.gz XNERGHHKPVGQJI-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026246 844207581 /nfs/dbraw/zinc/20/75/81/844207581.db2.gz XNERGHHKPVGQJI-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026246 844207574 /nfs/dbraw/zinc/20/75/74/844207574.db2.gz XNERGHHKPVGQJI-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026247 844209123 /nfs/dbraw/zinc/20/91/23/844209123.db2.gz XNERGHHKPVGQJI-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026247 844209117 /nfs/dbraw/zinc/20/91/17/844209117.db2.gz XNERGHHKPVGQJI-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026247 844209113 /nfs/dbraw/zinc/20/91/13/844209113.db2.gz XNERGHHKPVGQJI-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026279 844207739 /nfs/dbraw/zinc/20/77/39/844207739.db2.gz YHRJBAAKGXHKEK-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026279 844207731 /nfs/dbraw/zinc/20/77/31/844207731.db2.gz YHRJBAAKGXHKEK-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026279 844207725 /nfs/dbraw/zinc/20/77/25/844207725.db2.gz YHRJBAAKGXHKEK-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026279 844207714 /nfs/dbraw/zinc/20/77/14/844207714.db2.gz YHRJBAAKGXHKEK-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026282 844208301 /nfs/dbraw/zinc/20/83/01/844208301.db2.gz YHRJBAAKGXHKEK-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026282 844208298 /nfs/dbraw/zinc/20/82/98/844208298.db2.gz YHRJBAAKGXHKEK-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026282 844208290 /nfs/dbraw/zinc/20/82/90/844208290.db2.gz YHRJBAAKGXHKEK-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026282 844208280 /nfs/dbraw/zinc/20/82/80/844208280.db2.gz YHRJBAAKGXHKEK-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031316 844209216 /nfs/dbraw/zinc/20/92/16/844209216.db2.gz BOOXGLOQKIWFPB-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211038025 844208770 /nfs/dbraw/zinc/20/87/70/844208770.db2.gz AUPGQOVLMGQGRA-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211038025 844208764 /nfs/dbraw/zinc/20/87/64/844208764.db2.gz AUPGQOVLMGQGRA-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038774 844210820 /nfs/dbraw/zinc/21/08/20/844210820.db2.gz LXMSQKAVUCNTHH-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038774 844210809 /nfs/dbraw/zinc/21/08/09/844210809.db2.gz LXMSQKAVUCNTHH-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038778 844210742 /nfs/dbraw/zinc/21/07/42/844210742.db2.gz LXMSQKAVUCNTHH-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038778 844210734 /nfs/dbraw/zinc/21/07/34/844210734.db2.gz LXMSQKAVUCNTHH-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211038794 844210342 /nfs/dbraw/zinc/21/03/42/844210342.db2.gz MHZYVUSOLIOREC-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039042 844209848 /nfs/dbraw/zinc/20/98/48/844209848.db2.gz NPXWGBZSNPQQNU-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039042 844209842 /nfs/dbraw/zinc/20/98/42/844209842.db2.gz NPXWGBZSNPQQNU-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039783 844210269 /nfs/dbraw/zinc/21/02/69/844210269.db2.gz VEZDCTXGCIPEOI-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039783 844210258 /nfs/dbraw/zinc/21/02/58/844210258.db2.gz VEZDCTXGCIPEOI-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001211046289 844210385 /nfs/dbraw/zinc/21/03/85/844210385.db2.gz MDLIHDWAXAMZDY-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001211046290 844210455 /nfs/dbraw/zinc/21/04/55/844210455.db2.gz MDLIHDWAXAMZDY-OWCLPIDISA-N 2 1 350.467 -0.317 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094627 844215851 /nfs/dbraw/zinc/21/58/51/844215851.db2.gz JCOODKRKVTVVJC-ZIAGYGMSSA-N 2 1 353.467 -0.116 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094627 844215844 /nfs/dbraw/zinc/21/58/44/844215844.db2.gz JCOODKRKVTVVJC-ZIAGYGMSSA-N 2 1 353.467 -0.116 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301049 844223814 /nfs/dbraw/zinc/22/38/14/844223814.db2.gz RRQXLJHOCFTVLW-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301049 844223804 /nfs/dbraw/zinc/22/38/04/844223804.db2.gz RRQXLJHOCFTVLW-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301417 844224713 /nfs/dbraw/zinc/22/47/13/844224713.db2.gz VYBBYYQLFOCMJK-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301417 844224704 /nfs/dbraw/zinc/22/47/04/844224704.db2.gz VYBBYYQLFOCMJK-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301418 844224873 /nfs/dbraw/zinc/22/48/73/844224873.db2.gz VYBBYYQLFOCMJK-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301418 844224862 /nfs/dbraw/zinc/22/48/62/844224862.db2.gz VYBBYYQLFOCMJK-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310156 844226153 /nfs/dbraw/zinc/22/61/53/844226153.db2.gz QYYZSFHQSFAGMN-ZIAGYGMSSA-N 2 1 353.467 -0.246 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310156 844226142 /nfs/dbraw/zinc/22/61/42/844226142.db2.gz QYYZSFHQSFAGMN-ZIAGYGMSSA-N 2 1 353.467 -0.246 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343910 844226778 /nfs/dbraw/zinc/22/67/78/844226778.db2.gz SFBADHMWOIYNCY-ZIAGYGMSSA-N 2 1 353.467 -0.246 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343910 844226769 /nfs/dbraw/zinc/22/67/69/844226769.db2.gz SFBADHMWOIYNCY-ZIAGYGMSSA-N 2 1 353.467 -0.246 20 0 FBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350697 844227163 /nfs/dbraw/zinc/22/71/63/844227163.db2.gz VCLLXRZYNZCYRN-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350697 844227151 /nfs/dbraw/zinc/22/71/51/844227151.db2.gz VCLLXRZYNZCYRN-HUUCEWRRSA-N 2 1 360.524 -0.152 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350812 844227854 /nfs/dbraw/zinc/22/78/54/844227854.db2.gz YXVYUXSVZWISAM-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350812 844227845 /nfs/dbraw/zinc/22/78/45/844227845.db2.gz YXVYUXSVZWISAM-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350823 844226810 /nfs/dbraw/zinc/22/68/10/844226810.db2.gz YXVYUXSVZWISAM-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350823 844226800 /nfs/dbraw/zinc/22/68/00/844226800.db2.gz YXVYUXSVZWISAM-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001211364137 844229200 /nfs/dbraw/zinc/22/92/00/844229200.db2.gz BFHQOZOVLHDGFK-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001211364137 844229186 /nfs/dbraw/zinc/22/91/86/844229186.db2.gz BFHQOZOVLHDGFK-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001211364137 844229177 /nfs/dbraw/zinc/22/91/77/844229177.db2.gz BFHQOZOVLHDGFK-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001211364137 844229165 /nfs/dbraw/zinc/22/91/65/844229165.db2.gz BFHQOZOVLHDGFK-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001211364140 844228313 /nfs/dbraw/zinc/22/83/13/844228313.db2.gz BFHQOZOVLHDGFK-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001211364140 844228304 /nfs/dbraw/zinc/22/83/04/844228304.db2.gz BFHQOZOVLHDGFK-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001211364140 844228296 /nfs/dbraw/zinc/22/82/96/844228296.db2.gz BFHQOZOVLHDGFK-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001211364140 844228290 /nfs/dbraw/zinc/22/82/90/844228290.db2.gz BFHQOZOVLHDGFK-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001211369427 844230295 /nfs/dbraw/zinc/23/02/95/844230295.db2.gz IALKJEQECOETLI-HUUCEWRRSA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001211369427 844230282 /nfs/dbraw/zinc/23/02/82/844230282.db2.gz IALKJEQECOETLI-HUUCEWRRSA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001211369427 844230270 /nfs/dbraw/zinc/23/02/70/844230270.db2.gz IALKJEQECOETLI-HUUCEWRRSA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1C ZINC001211369427 844230262 /nfs/dbraw/zinc/23/02/62/844230262.db2.gz IALKJEQECOETLI-HUUCEWRRSA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001211369920 844230185 /nfs/dbraw/zinc/23/01/85/844230185.db2.gz URXQIBYVCIIRLO-OWCLPIDISA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001211369920 844230171 /nfs/dbraw/zinc/23/01/71/844230171.db2.gz URXQIBYVCIIRLO-OWCLPIDISA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001211369920 844230163 /nfs/dbraw/zinc/23/01/63/844230163.db2.gz URXQIBYVCIIRLO-OWCLPIDISA-N 2 1 354.495 -0.254 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211370810 844229815 /nfs/dbraw/zinc/22/98/15/844229815.db2.gz BEHRAGKOWKFEQS-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211370810 844229813 /nfs/dbraw/zinc/22/98/13/844229813.db2.gz BEHRAGKOWKFEQS-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370810 844229808 /nfs/dbraw/zinc/22/98/08/844229808.db2.gz BEHRAGKOWKFEQS-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370810 844229806 /nfs/dbraw/zinc/22/98/06/844229806.db2.gz BEHRAGKOWKFEQS-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211370811 844229851 /nfs/dbraw/zinc/22/98/51/844229851.db2.gz BEHRAGKOWKFEQS-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211370811 844229847 /nfs/dbraw/zinc/22/98/47/844229847.db2.gz BEHRAGKOWKFEQS-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370811 844229842 /nfs/dbraw/zinc/22/98/42/844229842.db2.gz BEHRAGKOWKFEQS-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370811 844229839 /nfs/dbraw/zinc/22/98/39/844229839.db2.gz BEHRAGKOWKFEQS-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001211371811 844230943 /nfs/dbraw/zinc/23/09/43/844230943.db2.gz XLLYYMNGMLOAKR-ZIAGYGMSSA-N 2 1 353.467 -0.295 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001211371811 844230935 /nfs/dbraw/zinc/23/09/35/844230935.db2.gz XLLYYMNGMLOAKR-ZIAGYGMSSA-N 2 1 353.467 -0.295 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001211371811 844230923 /nfs/dbraw/zinc/23/09/23/844230923.db2.gz XLLYYMNGMLOAKR-ZIAGYGMSSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444353 844238046 /nfs/dbraw/zinc/23/80/46/844238046.db2.gz WLDNYKDNNQNYOY-ZIAGYGMSSA-N 2 1 353.467 -0.116 20 0 FBADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444353 844238033 /nfs/dbraw/zinc/23/80/33/844238033.db2.gz WLDNYKDNNQNYOY-ZIAGYGMSSA-N 2 1 353.467 -0.116 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212290105 837171617 /nfs/dbraw/zinc/17/16/17/837171617.db2.gz UMQOLVNNNNZYOM-BRWVUGGUSA-N 2 1 355.479 -0.193 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212290106 837170527 /nfs/dbraw/zinc/17/05/27/837170527.db2.gz UMQOLVNNNNZYOM-GVDBMIGSSA-N 2 1 355.479 -0.193 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295202 837172154 /nfs/dbraw/zinc/17/21/54/837172154.db2.gz AOMISOCELVBFHO-HZPDHXFCSA-N 2 1 353.467 -0.090 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295548 837172544 /nfs/dbraw/zinc/17/25/44/837172544.db2.gz WIIZHYODCDDRMQ-HZPDHXFCSA-N 2 1 353.467 -0.090 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295548 837172536 /nfs/dbraw/zinc/17/25/36/837172536.db2.gz WIIZHYODCDDRMQ-HZPDHXFCSA-N 2 1 353.467 -0.090 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212297682 837172722 /nfs/dbraw/zinc/17/27/22/837172722.db2.gz JDWYBHSJUPIZHL-DTZQCDIJSA-N 2 1 352.479 -0.332 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212297682 837172716 /nfs/dbraw/zinc/17/27/16/837172716.db2.gz JDWYBHSJUPIZHL-DTZQCDIJSA-N 2 1 352.479 -0.332 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297682 837172709 /nfs/dbraw/zinc/17/27/09/837172709.db2.gz JDWYBHSJUPIZHL-DTZQCDIJSA-N 2 1 352.479 -0.332 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297682 837172704 /nfs/dbraw/zinc/17/27/04/837172704.db2.gz JDWYBHSJUPIZHL-DTZQCDIJSA-N 2 1 352.479 -0.332 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212353484 837325236 /nfs/dbraw/zinc/32/52/36/837325236.db2.gz SHIMYURMCZTEJM-RBSFLKMASA-N 2 1 356.446 -0.227 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212353484 837325224 /nfs/dbraw/zinc/32/52/24/837325224.db2.gz SHIMYURMCZTEJM-RBSFLKMASA-N 2 1 356.446 -0.227 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212353485 837326020 /nfs/dbraw/zinc/32/60/20/837326020.db2.gz SHIMYURMCZTEJM-RRFJBIMHSA-N 2 1 356.446 -0.227 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212353485 837326008 /nfs/dbraw/zinc/32/60/08/837326008.db2.gz SHIMYURMCZTEJM-RRFJBIMHSA-N 2 1 356.446 -0.227 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001212401087 837353406 /nfs/dbraw/zinc/35/34/06/837353406.db2.gz DYJABGACGUYVFV-BRWVUGGUSA-N 2 1 357.495 -0.211 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001212401088 837354012 /nfs/dbraw/zinc/35/40/12/837354012.db2.gz DYJABGACGUYVFV-GVDBMIGSSA-N 2 1 357.495 -0.211 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406573 837359285 /nfs/dbraw/zinc/35/92/85/837359285.db2.gz ZASQONYDIFECIY-BFYDXBDKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406573 837359275 /nfs/dbraw/zinc/35/92/75/837359275.db2.gz ZASQONYDIFECIY-BFYDXBDKSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406574 837358477 /nfs/dbraw/zinc/35/84/77/837358477.db2.gz ZASQONYDIFECIY-INMHGKMJSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406574 837358468 /nfs/dbraw/zinc/35/84/68/837358468.db2.gz ZASQONYDIFECIY-INMHGKMJSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212411019 837364463 /nfs/dbraw/zinc/36/44/63/837364463.db2.gz ZNDRMSZIYOPYHI-KFWWJZLASA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212411019 837364453 /nfs/dbraw/zinc/36/44/53/837364453.db2.gz ZNDRMSZIYOPYHI-KFWWJZLASA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212411024 837363881 /nfs/dbraw/zinc/36/38/81/837363881.db2.gz ZNDRMSZIYOPYHI-RBSFLKMASA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212411024 837363871 /nfs/dbraw/zinc/36/38/71/837363871.db2.gz ZNDRMSZIYOPYHI-RBSFLKMASA-N 2 1 353.467 -0.833 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416532 837366753 /nfs/dbraw/zinc/36/67/53/837366753.db2.gz ORBVRDFPDMBGKL-HUUCEWRRSA-N 2 1 353.467 -0.689 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416532 837366745 /nfs/dbraw/zinc/36/67/45/837366745.db2.gz ORBVRDFPDMBGKL-HUUCEWRRSA-N 2 1 353.467 -0.689 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416532 837366738 /nfs/dbraw/zinc/36/67/38/837366738.db2.gz ORBVRDFPDMBGKL-HUUCEWRRSA-N 2 1 353.467 -0.689 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416532 837366733 /nfs/dbraw/zinc/36/67/33/837366733.db2.gz ORBVRDFPDMBGKL-HUUCEWRRSA-N 2 1 353.467 -0.689 20 0 FBADMP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212417156 837366260 /nfs/dbraw/zinc/36/62/60/837366260.db2.gz YXQUZYOQJQDOJL-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212417156 837366255 /nfs/dbraw/zinc/36/62/55/837366255.db2.gz YXQUZYOQJQDOJL-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212417156 837366248 /nfs/dbraw/zinc/36/62/48/837366248.db2.gz YXQUZYOQJQDOJL-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212417156 837366242 /nfs/dbraw/zinc/36/62/42/837366242.db2.gz YXQUZYOQJQDOJL-BZUAXINKSA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212417157 837366680 /nfs/dbraw/zinc/36/66/80/837366680.db2.gz YXQUZYOQJQDOJL-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212417157 837366673 /nfs/dbraw/zinc/36/66/73/837366673.db2.gz YXQUZYOQJQDOJL-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212417157 837366667 /nfs/dbraw/zinc/36/66/67/837366667.db2.gz YXQUZYOQJQDOJL-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212417157 837366657 /nfs/dbraw/zinc/36/66/57/837366657.db2.gz YXQUZYOQJQDOJL-OWCLPIDISA-N 2 1 352.479 -0.093 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418614 837368261 /nfs/dbraw/zinc/36/82/61/837368261.db2.gz KXXVWAOMSZVBHV-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418614 837368254 /nfs/dbraw/zinc/36/82/54/837368254.db2.gz KXXVWAOMSZVBHV-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418614 837368249 /nfs/dbraw/zinc/36/82/49/837368249.db2.gz KXXVWAOMSZVBHV-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418614 837368243 /nfs/dbraw/zinc/36/82/43/837368243.db2.gz KXXVWAOMSZVBHV-HZPDHXFCSA-N 2 1 352.479 -0.092 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430242 837400966 /nfs/dbraw/zinc/40/09/66/837400966.db2.gz GMPOBKZKPANDKR-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430242 837400958 /nfs/dbraw/zinc/40/09/58/837400958.db2.gz GMPOBKZKPANDKR-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430242 837400947 /nfs/dbraw/zinc/40/09/47/837400947.db2.gz GMPOBKZKPANDKR-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430242 837400942 /nfs/dbraw/zinc/40/09/42/837400942.db2.gz GMPOBKZKPANDKR-ARFHVFGLSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430243 837400863 /nfs/dbraw/zinc/40/08/63/837400863.db2.gz GMPOBKZKPANDKR-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430243 837400856 /nfs/dbraw/zinc/40/08/56/837400856.db2.gz GMPOBKZKPANDKR-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430243 837400848 /nfs/dbraw/zinc/40/08/48/837400848.db2.gz GMPOBKZKPANDKR-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430243 837400842 /nfs/dbraw/zinc/40/08/42/837400842.db2.gz GMPOBKZKPANDKR-BZUAXINKSA-N 2 1 350.467 -0.032 20 0 FBADMP CO[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430605 837402091 /nfs/dbraw/zinc/40/20/91/837402091.db2.gz TVOCWXFTVQROEW-ARFHVFGLSA-N 2 1 352.479 -0.045 20 0 FBADMP CO[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430606 837402143 /nfs/dbraw/zinc/40/21/43/837402143.db2.gz TVOCWXFTVQROEW-BZUAXINKSA-N 2 1 352.479 -0.045 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212434738 837427892 /nfs/dbraw/zinc/42/78/92/837427892.db2.gz GGPNFCYNJGTMOM-KFWWJZLASA-N 2 1 355.483 -0.587 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212453264 837530799 /nfs/dbraw/zinc/53/07/99/837530799.db2.gz QUHZFMNLISVHCA-HZPDHXFCSA-N 2 1 355.479 -0.313 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453392 837531710 /nfs/dbraw/zinc/53/17/10/837531710.db2.gz UVRHSXWQDQXJCH-ARFHVFGLSA-N 2 1 355.479 -0.315 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453533 837531512 /nfs/dbraw/zinc/53/15/12/837531512.db2.gz UVRHSXWQDQXJCH-BZUAXINKSA-N 2 1 355.479 -0.315 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC)[NH+](C)C ZINC001212463180 837534922 /nfs/dbraw/zinc/53/49/22/837534922.db2.gz VGFJCSZPLZGIOP-BZUAXINKSA-N 2 1 358.483 -0.705 20 0 FBADMP CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC001212465682 837536584 /nfs/dbraw/zinc/53/65/84/837536584.db2.gz RMHTYTACVSSRQF-BZUAXINKSA-N 2 1 352.479 -0.188 20 0 FBADMP CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001212465683 837536645 /nfs/dbraw/zinc/53/66/45/837536645.db2.gz RMHTYTACVSSRQF-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001212483105 837544127 /nfs/dbraw/zinc/54/41/27/837544127.db2.gz BHTYNJDWIPYGNF-IJLUTSLNSA-N 2 1 357.455 -0.885 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001212483106 837543713 /nfs/dbraw/zinc/54/37/13/837543713.db2.gz BHTYNJDWIPYGNF-QJPTWQEYSA-N 2 1 357.455 -0.885 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212483371 837543870 /nfs/dbraw/zinc/54/38/70/837543870.db2.gz HRWKEORQYAQCHV-ZIAGYGMSSA-N 2 1 355.483 -0.443 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212483371 837543862 /nfs/dbraw/zinc/54/38/62/837543862.db2.gz HRWKEORQYAQCHV-ZIAGYGMSSA-N 2 1 355.483 -0.443 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1OC ZINC001212483371 837543850 /nfs/dbraw/zinc/54/38/50/837543850.db2.gz HRWKEORQYAQCHV-ZIAGYGMSSA-N 2 1 355.483 -0.443 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1OC ZINC001212483371 837543845 /nfs/dbraw/zinc/54/38/45/837543845.db2.gz HRWKEORQYAQCHV-ZIAGYGMSSA-N 2 1 355.483 -0.443 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1OC ZINC001212483717 837543957 /nfs/dbraw/zinc/54/39/57/837543957.db2.gz POYOSIRFTZHKMQ-CHWSQXEVSA-N 2 1 364.512 -0.919 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 ZINC001212483806 837543277 /nfs/dbraw/zinc/54/32/77/837543277.db2.gz UBDSJBBXLXNWQF-FVQBIDKESA-N 2 1 352.435 -0.730 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001212497151 837551815 /nfs/dbraw/zinc/55/18/15/837551815.db2.gz IIVWOGACODOUFN-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001212497151 837551807 /nfs/dbraw/zinc/55/18/07/837551807.db2.gz IIVWOGACODOUFN-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001212497151 837551800 /nfs/dbraw/zinc/55/18/00/837551800.db2.gz IIVWOGACODOUFN-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001212497151 837551790 /nfs/dbraw/zinc/55/17/90/837551790.db2.gz IIVWOGACODOUFN-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001212497152 837551636 /nfs/dbraw/zinc/55/16/36/837551636.db2.gz IIVWOGACODOUFN-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001212497152 837551628 /nfs/dbraw/zinc/55/16/28/837551628.db2.gz IIVWOGACODOUFN-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001212497152 837551618 /nfs/dbraw/zinc/55/16/18/837551618.db2.gz IIVWOGACODOUFN-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001212497152 837551614 /nfs/dbraw/zinc/55/16/14/837551614.db2.gz IIVWOGACODOUFN-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251566 /nfs/dbraw/zinc/25/15/66/844251566.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251556 /nfs/dbraw/zinc/25/15/56/844251556.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251546 /nfs/dbraw/zinc/25/15/46/844251546.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252369 /nfs/dbraw/zinc/25/23/69/844252369.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252362 /nfs/dbraw/zinc/25/23/62/844252362.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252356 /nfs/dbraw/zinc/25/23/56/844252356.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192742 844251665 /nfs/dbraw/zinc/25/16/65/844251665.db2.gz WVUVKSGOGPTQCC-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192742 844251658 /nfs/dbraw/zinc/25/16/58/844251658.db2.gz WVUVKSGOGPTQCC-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192742 844251652 /nfs/dbraw/zinc/25/16/52/844251652.db2.gz WVUVKSGOGPTQCC-DSZOFWSKSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192744 844252548 /nfs/dbraw/zinc/25/25/48/844252548.db2.gz WVUVKSGOGPTQCC-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192744 844252546 /nfs/dbraw/zinc/25/25/46/844252546.db2.gz WVUVKSGOGPTQCC-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192744 844252540 /nfs/dbraw/zinc/25/25/40/844252540.db2.gz WVUVKSGOGPTQCC-YLADIXGZSA-N 2 1 353.463 -0.299 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001213213042 844254280 /nfs/dbraw/zinc/25/42/80/844254280.db2.gz BWXCBSXRKHAIIY-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001213213042 844254273 /nfs/dbraw/zinc/25/42/73/844254273.db2.gz BWXCBSXRKHAIIY-BRWVUGGUSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001213213043 844255514 /nfs/dbraw/zinc/25/55/14/844255514.db2.gz BWXCBSXRKHAIIY-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001213213043 844255501 /nfs/dbraw/zinc/25/55/01/844255501.db2.gz BWXCBSXRKHAIIY-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213322648 844274104 /nfs/dbraw/zinc/27/41/04/844274104.db2.gz MOLJGRHMUYYSQQ-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213322648 844274099 /nfs/dbraw/zinc/27/40/99/844274099.db2.gz MOLJGRHMUYYSQQ-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213322648 844274094 /nfs/dbraw/zinc/27/40/94/844274094.db2.gz MOLJGRHMUYYSQQ-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213322649 844273946 /nfs/dbraw/zinc/27/39/46/844273946.db2.gz MOLJGRHMUYYSQQ-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213322649 844273940 /nfs/dbraw/zinc/27/39/40/844273940.db2.gz MOLJGRHMUYYSQQ-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213322649 844273935 /nfs/dbraw/zinc/27/39/35/844273935.db2.gz MOLJGRHMUYYSQQ-GVDBMIGSSA-N 2 1 357.495 -0.067 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340079 844280167 /nfs/dbraw/zinc/28/01/67/844280167.db2.gz OHWNZISRAVHGKI-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340079 844280164 /nfs/dbraw/zinc/28/01/64/844280164.db2.gz OHWNZISRAVHGKI-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340080 844279224 /nfs/dbraw/zinc/27/92/24/844279224.db2.gz OHWNZISRAVHGKI-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340080 844279216 /nfs/dbraw/zinc/27/92/16/844279216.db2.gz OHWNZISRAVHGKI-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342343 844279638 /nfs/dbraw/zinc/27/96/38/844279638.db2.gz SADWMPIYUSFOHO-HUUCEWRRSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342343 844279630 /nfs/dbraw/zinc/27/96/30/844279630.db2.gz SADWMPIYUSFOHO-HUUCEWRRSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342391 844280082 /nfs/dbraw/zinc/28/00/82/844280082.db2.gz VFVZCNSGECLAQX-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342391 844280076 /nfs/dbraw/zinc/28/00/76/844280076.db2.gz VFVZCNSGECLAQX-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342432 844280093 /nfs/dbraw/zinc/28/00/93/844280093.db2.gz WZQXUCVAGFLMGF-ZIAGYGMSSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342432 844280091 /nfs/dbraw/zinc/28/00/91/844280091.db2.gz WZQXUCVAGFLMGF-ZIAGYGMSSA-N 2 1 353.467 -0.831 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346195 844279517 /nfs/dbraw/zinc/27/95/17/844279517.db2.gz BBWIHDVJEDNJCW-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346196 844279323 /nfs/dbraw/zinc/27/93/23/844279323.db2.gz BBWIHDVJEDNJCW-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346436 844279441 /nfs/dbraw/zinc/27/94/41/844279441.db2.gz MIEBOLMHTGWECS-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346436 844279431 /nfs/dbraw/zinc/27/94/31/844279431.db2.gz MIEBOLMHTGWECS-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348382 844280593 /nfs/dbraw/zinc/28/05/93/844280593.db2.gz KCMIVVISCUYXGG-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348382 844280584 /nfs/dbraw/zinc/28/05/84/844280584.db2.gz KCMIVVISCUYXGG-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348644 844280784 /nfs/dbraw/zinc/28/07/84/844280784.db2.gz QPKDZULZYRXKLV-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348651 844281159 /nfs/dbraw/zinc/28/11/59/844281159.db2.gz QPKDZULZYRXKLV-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348716 844281330 /nfs/dbraw/zinc/28/13/30/844281330.db2.gz SOVUETRLJKQNKD-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348878 844280703 /nfs/dbraw/zinc/28/07/03/844280703.db2.gz YFJGILNKZYXYLT-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348879 844281197 /nfs/dbraw/zinc/28/11/97/844281197.db2.gz YFJGILNKZYXYLT-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368560 844284468 /nfs/dbraw/zinc/28/44/68/844284468.db2.gz FMHANIABKCXRBT-HZPDHXFCSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368560 844284463 /nfs/dbraw/zinc/28/44/63/844284463.db2.gz FMHANIABKCXRBT-HZPDHXFCSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376930 844286037 /nfs/dbraw/zinc/28/60/37/844286037.db2.gz OEQAUIHZVYNSLJ-VXGBXAGGSA-N 2 1 368.400 -0.178 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377126 844285895 /nfs/dbraw/zinc/28/58/95/844285895.db2.gz ZFXFPLCTYAHMAW-ZIAGYGMSSA-N 2 1 364.512 -0.917 20 0 FBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377126 844285888 /nfs/dbraw/zinc/28/58/88/844285888.db2.gz ZFXFPLCTYAHMAW-ZIAGYGMSSA-N 2 1 364.512 -0.917 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378135 844286993 /nfs/dbraw/zinc/28/69/93/844286993.db2.gz FLBLCWMWWDBSDI-ZIAGYGMSSA-N 2 1 356.492 -0.015 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378135 844286987 /nfs/dbraw/zinc/28/69/87/844286987.db2.gz FLBLCWMWWDBSDI-ZIAGYGMSSA-N 2 1 356.492 -0.015 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378328 844286690 /nfs/dbraw/zinc/28/66/90/844286690.db2.gz MBLQGVMVDWTRIJ-ZIAGYGMSSA-N 2 1 357.499 -0.149 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378328 844286685 /nfs/dbraw/zinc/28/66/85/844286685.db2.gz MBLQGVMVDWTRIJ-ZIAGYGMSSA-N 2 1 357.499 -0.149 20 0 FBADMP CO[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378373 844286672 /nfs/dbraw/zinc/28/66/72/844286672.db2.gz OCJOFTTXRGPDIV-ZIAGYGMSSA-N 2 1 364.512 -0.965 20 0 FBADMP CO[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378373 844286667 /nfs/dbraw/zinc/28/66/67/844286667.db2.gz OCJOFTTXRGPDIV-ZIAGYGMSSA-N 2 1 364.512 -0.965 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378630 844287506 /nfs/dbraw/zinc/28/75/06/844287506.db2.gz ZSRFOZLMTAEDIR-JHJVBQTASA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378631 836030243 /nfs/dbraw/zinc/03/02/43/836030243.db2.gz ZSRFOZLMTAEDIR-YNEHKIRRSA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399668 844288330 /nfs/dbraw/zinc/28/83/30/844288330.db2.gz GGPNFCYNJGTMOM-RBSFLKMASA-N 2 1 355.483 -0.587 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399668 844288324 /nfs/dbraw/zinc/28/83/24/844288324.db2.gz GGPNFCYNJGTMOM-RBSFLKMASA-N 2 1 355.483 -0.587 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC)[NH+](C)C ZINC001213458365 844301171 /nfs/dbraw/zinc/30/11/71/844301171.db2.gz VGFJCSZPLZGIOP-OWCLPIDISA-N 2 1 358.483 -0.705 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555189 844325771 /nfs/dbraw/zinc/32/57/71/844325771.db2.gz AWFQWBVABPVXBJ-HZPDHXFCSA-N 2 1 353.467 -0.090 20 0 FBADMP COCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555618 844326269 /nfs/dbraw/zinc/32/62/69/844326269.db2.gz XAVSRBSPJXZZMU-HZPDHXFCSA-N 2 1 353.467 -0.090 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576161 844331412 /nfs/dbraw/zinc/33/14/12/844331412.db2.gz IBWFELIUPQQXBW-ARFHVFGLSA-N 2 1 354.451 -0.206 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576161 844331403 /nfs/dbraw/zinc/33/14/03/844331403.db2.gz IBWFELIUPQQXBW-ARFHVFGLSA-N 2 1 354.451 -0.206 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576162 844331147 /nfs/dbraw/zinc/33/11/47/844331147.db2.gz IBWFELIUPQQXBW-BZUAXINKSA-N 2 1 354.451 -0.206 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576162 844331136 /nfs/dbraw/zinc/33/11/36/844331136.db2.gz IBWFELIUPQQXBW-BZUAXINKSA-N 2 1 354.451 -0.206 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581079 844335405 /nfs/dbraw/zinc/33/54/05/844335405.db2.gz OLLUFEGPJZOKCF-BRWVUGGUSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581079 844335397 /nfs/dbraw/zinc/33/53/97/844335397.db2.gz OLLUFEGPJZOKCF-BRWVUGGUSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581081 844334616 /nfs/dbraw/zinc/33/46/16/844334616.db2.gz OLLUFEGPJZOKCF-GVDBMIGSSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581081 844334603 /nfs/dbraw/zinc/33/46/03/844334603.db2.gz OLLUFEGPJZOKCF-GVDBMIGSSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581427 844334947 /nfs/dbraw/zinc/33/49/47/844334947.db2.gz WUJWGYOJHSJOSQ-BRWVUGGUSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581427 844334937 /nfs/dbraw/zinc/33/49/37/844334937.db2.gz WUJWGYOJHSJOSQ-BRWVUGGUSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581428 844334411 /nfs/dbraw/zinc/33/44/11/844334411.db2.gz WUJWGYOJHSJOSQ-GVDBMIGSSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581428 844334402 /nfs/dbraw/zinc/33/44/02/844334402.db2.gz WUJWGYOJHSJOSQ-GVDBMIGSSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581472 844334369 /nfs/dbraw/zinc/33/43/69/844334369.db2.gz YSCPIXDDBZUDPC-IAGOWNOFSA-N 2 1 355.479 -0.049 20 0 FBADMP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581472 844334357 /nfs/dbraw/zinc/33/43/57/844334357.db2.gz YSCPIXDDBZUDPC-IAGOWNOFSA-N 2 1 355.479 -0.049 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213598160 844340281 /nfs/dbraw/zinc/34/02/81/844340281.db2.gz ADXRUWKXHMNQBB-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213598161 844339922 /nfs/dbraw/zinc/33/99/22/844339922.db2.gz ADXRUWKXHMNQBB-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213598621 844340203 /nfs/dbraw/zinc/34/02/03/844340203.db2.gz JGHNYDKMOGTDFS-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213598623 844340362 /nfs/dbraw/zinc/34/03/62/844340362.db2.gz JGHNYDKMOGTDFS-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213598999 844339384 /nfs/dbraw/zinc/33/93/84/844339384.db2.gz PPVAXJWNVISOCQ-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213599001 844339457 /nfs/dbraw/zinc/33/94/57/844339457.db2.gz PPVAXJWNVISOCQ-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213599073 844340238 /nfs/dbraw/zinc/34/02/38/844340238.db2.gz SFPKSTHEYWKHOG-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638415 844346558 /nfs/dbraw/zinc/34/65/58/844346558.db2.gz NNYFFKMYNLBJJJ-DJIMGWMZSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638416 844347480 /nfs/dbraw/zinc/34/74/80/844347480.db2.gz NNYFFKMYNLBJJJ-USXIJHARSA-N 2 1 355.479 -0.051 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001213655312 844353687 /nfs/dbraw/zinc/35/36/87/844353687.db2.gz NDTCTRIDOZNIOJ-IAGOWNOFSA-N 2 1 357.495 -0.069 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655673 844353959 /nfs/dbraw/zinc/35/39/59/844353959.db2.gz XMVZEMOKVBCXCT-BRWVUGGUSA-N 2 1 357.495 -0.071 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655674 844353238 /nfs/dbraw/zinc/35/32/38/844353238.db2.gz XMVZEMOKVBCXCT-GVDBMIGSSA-N 2 1 357.495 -0.071 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213671316 844354689 /nfs/dbraw/zinc/35/46/89/844354689.db2.gz BCIRQHAYZSXYEV-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213671316 844354678 /nfs/dbraw/zinc/35/46/78/844354678.db2.gz BCIRQHAYZSXYEV-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213671316 844354665 /nfs/dbraw/zinc/35/46/65/844354665.db2.gz BCIRQHAYZSXYEV-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213671316 844354653 /nfs/dbraw/zinc/35/46/53/844354653.db2.gz BCIRQHAYZSXYEV-ZIAGYGMSSA-N 2 1 354.451 -0.707 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671566 844356729 /nfs/dbraw/zinc/35/67/29/844356729.db2.gz MNMYCGGJCHSCEE-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671566 844356719 /nfs/dbraw/zinc/35/67/19/844356719.db2.gz MNMYCGGJCHSCEE-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671566 844356707 /nfs/dbraw/zinc/35/67/07/844356707.db2.gz MNMYCGGJCHSCEE-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671567 844356205 /nfs/dbraw/zinc/35/62/05/844356205.db2.gz MNMYCGGJCHSCEE-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671567 844356194 /nfs/dbraw/zinc/35/61/94/844356194.db2.gz MNMYCGGJCHSCEE-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671567 844356184 /nfs/dbraw/zinc/35/61/84/844356184.db2.gz MNMYCGGJCHSCEE-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213678097 844357720 /nfs/dbraw/zinc/35/77/20/844357720.db2.gz DLJOUVBIHWNWIE-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213678097 844357711 /nfs/dbraw/zinc/35/77/11/844357711.db2.gz DLJOUVBIHWNWIE-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213678097 844357697 /nfs/dbraw/zinc/35/76/97/844357697.db2.gz DLJOUVBIHWNWIE-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213678097 844357686 /nfs/dbraw/zinc/35/76/86/844357686.db2.gz DLJOUVBIHWNWIE-HUUCEWRRSA-N 2 1 357.499 -0.149 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678222 844358248 /nfs/dbraw/zinc/35/82/48/844358248.db2.gz KMIPLEBSMNKLKT-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678222 844358237 /nfs/dbraw/zinc/35/82/37/844358237.db2.gz KMIPLEBSMNKLKT-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678222 844358228 /nfs/dbraw/zinc/35/82/28/844358228.db2.gz KMIPLEBSMNKLKT-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678223 844358174 /nfs/dbraw/zinc/35/81/74/844358174.db2.gz KMIPLEBSMNKLKT-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678223 844358162 /nfs/dbraw/zinc/35/81/62/844358162.db2.gz KMIPLEBSMNKLKT-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678223 844358156 /nfs/dbraw/zinc/35/81/56/844358156.db2.gz KMIPLEBSMNKLKT-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213678360 844358922 /nfs/dbraw/zinc/35/89/22/844358922.db2.gz RCMKQRDEGNREJX-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213678360 844358910 /nfs/dbraw/zinc/35/89/10/844358910.db2.gz RCMKQRDEGNREJX-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213678360 844358899 /nfs/dbraw/zinc/35/88/99/844358899.db2.gz RCMKQRDEGNREJX-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213678510 844358026 /nfs/dbraw/zinc/35/80/26/844358026.db2.gz ZVASEHJYYPIFAB-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213678510 844358014 /nfs/dbraw/zinc/35/80/14/844358014.db2.gz ZVASEHJYYPIFAB-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213678510 844358002 /nfs/dbraw/zinc/35/80/02/844358002.db2.gz ZVASEHJYYPIFAB-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213678511 844358460 /nfs/dbraw/zinc/35/84/60/844358460.db2.gz ZVASEHJYYPIFAB-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213678511 844358448 /nfs/dbraw/zinc/35/84/48/844358448.db2.gz ZVASEHJYYPIFAB-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213678511 844358439 /nfs/dbraw/zinc/35/84/39/844358439.db2.gz ZVASEHJYYPIFAB-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719043 844367945 /nfs/dbraw/zinc/36/79/45/844367945.db2.gz LBRDNLVQCDRPFZ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719043 844367933 /nfs/dbraw/zinc/36/79/33/844367933.db2.gz LBRDNLVQCDRPFZ-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213721222 844370821 /nfs/dbraw/zinc/37/08/21/844370821.db2.gz GUOAGNZUNYVSKA-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213721222 844370811 /nfs/dbraw/zinc/37/08/11/844370811.db2.gz GUOAGNZUNYVSKA-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721222 844370801 /nfs/dbraw/zinc/37/08/01/844370801.db2.gz GUOAGNZUNYVSKA-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721222 844370792 /nfs/dbraw/zinc/37/07/92/844370792.db2.gz GUOAGNZUNYVSKA-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213721223 844370297 /nfs/dbraw/zinc/37/02/97/844370297.db2.gz GUOAGNZUNYVSKA-NUEKZKHPSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213721223 844370285 /nfs/dbraw/zinc/37/02/85/844370285.db2.gz GUOAGNZUNYVSKA-NUEKZKHPSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213721223 844370274 /nfs/dbraw/zinc/37/02/74/844370274.db2.gz GUOAGNZUNYVSKA-NUEKZKHPSA-N 2 1 352.479 -0.330 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213721223 844370265 /nfs/dbraw/zinc/37/02/65/844370265.db2.gz GUOAGNZUNYVSKA-NUEKZKHPSA-N 2 1 352.479 -0.330 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728333 844371820 /nfs/dbraw/zinc/37/18/20/844371820.db2.gz HAKARABGVYTKMM-QLFBSQMISA-N 2 1 352.479 -0.058 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728333 844371810 /nfs/dbraw/zinc/37/18/10/844371810.db2.gz HAKARABGVYTKMM-QLFBSQMISA-N 2 1 352.479 -0.058 20 0 FBADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728334 844371905 /nfs/dbraw/zinc/37/19/05/844371905.db2.gz HAKARABGVYTKMM-RBSFLKMASA-N 2 1 352.479 -0.058 20 0 FBADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728334 844371899 /nfs/dbraw/zinc/37/18/99/844371899.db2.gz HAKARABGVYTKMM-RBSFLKMASA-N 2 1 352.479 -0.058 20 0 FBADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728510 844372297 /nfs/dbraw/zinc/37/22/97/844372297.db2.gz MAFQUJBZPGGWCU-HZPDHXFCSA-N 2 1 353.467 -0.378 20 0 FBADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728510 844372291 /nfs/dbraw/zinc/37/22/91/844372291.db2.gz MAFQUJBZPGGWCU-HZPDHXFCSA-N 2 1 353.467 -0.378 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728852 844372528 /nfs/dbraw/zinc/37/25/28/844372528.db2.gz WSPQRFYOTIMFLF-HUUCEWRRSA-N 2 1 350.463 -0.576 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728852 844372520 /nfs/dbraw/zinc/37/25/20/844372520.db2.gz WSPQRFYOTIMFLF-HUUCEWRRSA-N 2 1 350.463 -0.576 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730027 844372622 /nfs/dbraw/zinc/37/26/22/844372622.db2.gz BORITAUSYFDLST-CHWSQXEVSA-N 2 1 353.410 -0.338 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730027 844372615 /nfs/dbraw/zinc/37/26/15/844372615.db2.gz BORITAUSYFDLST-CHWSQXEVSA-N 2 1 353.410 -0.338 20 0 FBADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730196 844372800 /nfs/dbraw/zinc/37/28/00/844372800.db2.gz IEQNZLGEUUQBKL-HZPDHXFCSA-N 2 1 353.467 -0.644 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730477 844372193 /nfs/dbraw/zinc/37/21/93/844372193.db2.gz PTFSHZBIJPGZKJ-JHJVBQTASA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730477 844372183 /nfs/dbraw/zinc/37/21/83/844372183.db2.gz PTFSHZBIJPGZKJ-JHJVBQTASA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730479 844372417 /nfs/dbraw/zinc/37/24/17/844372417.db2.gz PTFSHZBIJPGZKJ-YNEHKIRRSA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730479 844372406 /nfs/dbraw/zinc/37/24/06/844372406.db2.gz PTFSHZBIJPGZKJ-YNEHKIRRSA-N 2 1 371.400 -0.307 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730632 844372671 /nfs/dbraw/zinc/37/26/71/844372671.db2.gz TYGBBCRIEPCFCX-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730632 844372662 /nfs/dbraw/zinc/37/26/62/844372662.db2.gz TYGBBCRIEPCFCX-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730633 844372158 /nfs/dbraw/zinc/37/21/58/844372158.db2.gz TYGBBCRIEPCFCX-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730633 844372148 /nfs/dbraw/zinc/37/21/48/844372148.db2.gz TYGBBCRIEPCFCX-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730651 844372741 /nfs/dbraw/zinc/37/27/41/844372741.db2.gz ULNMBAMRWPTTGM-MCIONIFRSA-N 2 1 365.421 -0.196 20 0 FBADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730651 844372729 /nfs/dbraw/zinc/37/27/29/844372729.db2.gz ULNMBAMRWPTTGM-MCIONIFRSA-N 2 1 365.421 -0.196 20 0 FBADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730654 844372596 /nfs/dbraw/zinc/37/25/96/844372596.db2.gz ULNMBAMRWPTTGM-MGPQQGTHSA-N 2 1 365.421 -0.196 20 0 FBADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730654 844372590 /nfs/dbraw/zinc/37/25/90/844372590.db2.gz ULNMBAMRWPTTGM-MGPQQGTHSA-N 2 1 365.421 -0.196 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001213730736 844373667 /nfs/dbraw/zinc/37/36/67/844373667.db2.gz WJLZZECXWZUTKN-JGGQBBKZSA-N 2 1 352.435 -0.416 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001213730737 844373716 /nfs/dbraw/zinc/37/37/16/844373716.db2.gz WJLZZECXWZUTKN-XNRPHZJLSA-N 2 1 352.435 -0.416 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730781 844373593 /nfs/dbraw/zinc/37/35/93/844373593.db2.gz XKBKQGPVDHMOAK-QLFBSQMISA-N 2 1 358.483 -0.576 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730781 844373584 /nfs/dbraw/zinc/37/35/84/844373584.db2.gz XKBKQGPVDHMOAK-QLFBSQMISA-N 2 1 358.483 -0.576 20 0 FBADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730782 844373778 /nfs/dbraw/zinc/37/37/78/844373778.db2.gz XKBKQGPVDHMOAK-RBSFLKMASA-N 2 1 358.483 -0.576 20 0 FBADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730782 844373770 /nfs/dbraw/zinc/37/37/70/844373770.db2.gz XKBKQGPVDHMOAK-RBSFLKMASA-N 2 1 358.483 -0.576 20 0 FBADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730842 844373845 /nfs/dbraw/zinc/37/38/45/844373845.db2.gz ZIRWHMUDAAXUKP-HZPDHXFCSA-N 2 1 353.467 -0.644 20 0 FBADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753244 844378595 /nfs/dbraw/zinc/37/85/95/844378595.db2.gz DWGONTVLPIZUNW-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753244 844378583 /nfs/dbraw/zinc/37/85/83/844378583.db2.gz DWGONTVLPIZUNW-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759579 844380164 /nfs/dbraw/zinc/38/01/64/844380164.db2.gz RWBBKYJXNYVENG-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759579 844380151 /nfs/dbraw/zinc/38/01/51/844380151.db2.gz RWBBKYJXNYVENG-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759579 844380141 /nfs/dbraw/zinc/38/01/41/844380141.db2.gz RWBBKYJXNYVENG-ARFHVFGLSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759580 844379573 /nfs/dbraw/zinc/37/95/73/844379573.db2.gz RWBBKYJXNYVENG-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759580 844379563 /nfs/dbraw/zinc/37/95/63/844379563.db2.gz RWBBKYJXNYVENG-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759580 844379549 /nfs/dbraw/zinc/37/95/49/844379549.db2.gz RWBBKYJXNYVENG-BZUAXINKSA-N 2 1 353.467 -0.599 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001213765163 844382111 /nfs/dbraw/zinc/38/21/11/844382111.db2.gz WWYAFEMUAGYMFC-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001213765163 844382100 /nfs/dbraw/zinc/38/21/00/844382100.db2.gz WWYAFEMUAGYMFC-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1OC ZINC001213765163 844382086 /nfs/dbraw/zinc/38/20/86/844382086.db2.gz WWYAFEMUAGYMFC-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1OC ZINC001213765163 844382074 /nfs/dbraw/zinc/38/20/74/844382074.db2.gz WWYAFEMUAGYMFC-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213767240 844381608 /nfs/dbraw/zinc/38/16/08/844381608.db2.gz KCMHBYLPFVWVPI-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213767240 844381595 /nfs/dbraw/zinc/38/15/95/844381595.db2.gz KCMHBYLPFVWVPI-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213767240 844381582 /nfs/dbraw/zinc/38/15/82/844381582.db2.gz KCMHBYLPFVWVPI-HZPDHXFCSA-N 2 1 358.483 -0.704 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213767412 844382946 /nfs/dbraw/zinc/38/29/46/844382946.db2.gz RWWTYSQBQHBVED-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213767412 844382935 /nfs/dbraw/zinc/38/29/35/844382935.db2.gz RWWTYSQBQHBVED-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213767412 844382926 /nfs/dbraw/zinc/38/29/26/844382926.db2.gz RWWTYSQBQHBVED-ARFHVFGLSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213767413 844383755 /nfs/dbraw/zinc/38/37/55/844383755.db2.gz RWWTYSQBQHBVED-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213767413 844383746 /nfs/dbraw/zinc/38/37/46/844383746.db2.gz RWWTYSQBQHBVED-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213767413 844383734 /nfs/dbraw/zinc/38/37/34/844383734.db2.gz RWWTYSQBQHBVED-BZUAXINKSA-N 2 1 361.483 -0.833 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767533 844383925 /nfs/dbraw/zinc/38/39/25/844383925.db2.gz YSIYKZWVNMOEPJ-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767533 844383915 /nfs/dbraw/zinc/38/39/15/844383915.db2.gz YSIYKZWVNMOEPJ-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767533 844383903 /nfs/dbraw/zinc/38/39/03/844383903.db2.gz YSIYKZWVNMOEPJ-RBSFLKMASA-N 2 1 350.467 -0.077 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767534 844382844 /nfs/dbraw/zinc/38/28/44/844382844.db2.gz YSIYKZWVNMOEPJ-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767534 844382832 /nfs/dbraw/zinc/38/28/32/844382832.db2.gz YSIYKZWVNMOEPJ-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767534 844382818 /nfs/dbraw/zinc/38/28/18/844382818.db2.gz YSIYKZWVNMOEPJ-RRFJBIMHSA-N 2 1 350.467 -0.077 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213856961 844401801 /nfs/dbraw/zinc/40/18/01/844401801.db2.gz AZMIZTBYIRGROE-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213856961 844401798 /nfs/dbraw/zinc/40/17/98/844401798.db2.gz AZMIZTBYIRGROE-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213856961 844401795 /nfs/dbraw/zinc/40/17/95/844401795.db2.gz AZMIZTBYIRGROE-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213856961 844401791 /nfs/dbraw/zinc/40/17/91/844401791.db2.gz AZMIZTBYIRGROE-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213856962 844401600 /nfs/dbraw/zinc/40/16/00/844401600.db2.gz AZMIZTBYIRGROE-RRFJBIMHSA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213856962 844401594 /nfs/dbraw/zinc/40/15/94/844401594.db2.gz AZMIZTBYIRGROE-RRFJBIMHSA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213856962 844401587 /nfs/dbraw/zinc/40/15/87/844401587.db2.gz AZMIZTBYIRGROE-RRFJBIMHSA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213856962 844401581 /nfs/dbraw/zinc/40/15/81/844401581.db2.gz AZMIZTBYIRGROE-RRFJBIMHSA-N 2 1 355.483 -0.539 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914491 844417012 /nfs/dbraw/zinc/41/70/12/844417012.db2.gz IMPAHMLEOKJSSI-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914491 844417008 /nfs/dbraw/zinc/41/70/08/844417008.db2.gz IMPAHMLEOKJSSI-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914492 844416984 /nfs/dbraw/zinc/41/69/84/844416984.db2.gz IMPAHMLEOKJSSI-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914492 844416983 /nfs/dbraw/zinc/41/69/83/844416983.db2.gz IMPAHMLEOKJSSI-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213917018 844417624 /nfs/dbraw/zinc/41/76/24/844417624.db2.gz WVKKDWFGGDLGFE-HZPDHXFCSA-N 2 1 350.467 -0.031 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213917018 844417617 /nfs/dbraw/zinc/41/76/17/844417617.db2.gz WVKKDWFGGDLGFE-HZPDHXFCSA-N 2 1 350.467 -0.031 20 0 FBADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921663 844418842 /nfs/dbraw/zinc/41/88/42/844418842.db2.gz GCMSZRAUWBJLIW-HZPDHXFCSA-N 2 1 350.467 -0.031 20 0 FBADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921663 844418837 /nfs/dbraw/zinc/41/88/37/844418837.db2.gz GCMSZRAUWBJLIW-HZPDHXFCSA-N 2 1 350.467 -0.031 20 0 FBADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921900 844418779 /nfs/dbraw/zinc/41/87/79/844418779.db2.gz MDZPNBXKRHZQEE-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921900 844418775 /nfs/dbraw/zinc/41/87/75/844418775.db2.gz MDZPNBXKRHZQEE-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921901 844418596 /nfs/dbraw/zinc/41/85/96/844418596.db2.gz MDZPNBXKRHZQEE-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921901 844418592 /nfs/dbraw/zinc/41/85/92/844418592.db2.gz MDZPNBXKRHZQEE-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929553 844421412 /nfs/dbraw/zinc/42/14/12/844421412.db2.gz AXEKCTDTIWYFJB-HZPDHXFCSA-N 2 1 358.483 -0.705 20 0 FBADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929553 844421406 /nfs/dbraw/zinc/42/14/06/844421406.db2.gz AXEKCTDTIWYFJB-HZPDHXFCSA-N 2 1 358.483 -0.705 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929553 844421403 /nfs/dbraw/zinc/42/14/03/844421403.db2.gz AXEKCTDTIWYFJB-HZPDHXFCSA-N 2 1 358.483 -0.705 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929620 844421203 /nfs/dbraw/zinc/42/12/03/844421203.db2.gz DXYMYMZFWNQBTH-ARFHVFGLSA-N 2 1 361.483 -0.834 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929620 844421201 /nfs/dbraw/zinc/42/12/01/844421201.db2.gz DXYMYMZFWNQBTH-ARFHVFGLSA-N 2 1 361.483 -0.834 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929620 844421198 /nfs/dbraw/zinc/42/11/98/844421198.db2.gz DXYMYMZFWNQBTH-ARFHVFGLSA-N 2 1 361.483 -0.834 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929621 844421083 /nfs/dbraw/zinc/42/10/83/844421083.db2.gz DXYMYMZFWNQBTH-BZUAXINKSA-N 2 1 361.483 -0.834 20 0 FBADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929621 844421079 /nfs/dbraw/zinc/42/10/79/844421079.db2.gz DXYMYMZFWNQBTH-BZUAXINKSA-N 2 1 361.483 -0.834 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929621 844421074 /nfs/dbraw/zinc/42/10/74/844421074.db2.gz DXYMYMZFWNQBTH-BZUAXINKSA-N 2 1 361.483 -0.834 20 0 FBADMP CO[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929659 844420577 /nfs/dbraw/zinc/42/05/77/844420577.db2.gz GEDMXQHMTSWRSF-RBSFLKMASA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929659 844420571 /nfs/dbraw/zinc/42/05/71/844420571.db2.gz GEDMXQHMTSWRSF-RBSFLKMASA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929659 844420565 /nfs/dbraw/zinc/42/05/65/844420565.db2.gz GEDMXQHMTSWRSF-RBSFLKMASA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929660 844421279 /nfs/dbraw/zinc/42/12/79/844421279.db2.gz GEDMXQHMTSWRSF-RRFJBIMHSA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929660 844421275 /nfs/dbraw/zinc/42/12/75/844421275.db2.gz GEDMXQHMTSWRSF-RRFJBIMHSA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929660 844421273 /nfs/dbraw/zinc/42/12/73/844421273.db2.gz GEDMXQHMTSWRSF-RRFJBIMHSA-N 2 1 350.467 -0.079 20 0 FBADMP CO[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929876 844421144 /nfs/dbraw/zinc/42/11/44/844421144.db2.gz PIQHBLMPKNFPMN-ARFHVFGLSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929876 844421143 /nfs/dbraw/zinc/42/11/43/844421143.db2.gz PIQHBLMPKNFPMN-ARFHVFGLSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929876 844421138 /nfs/dbraw/zinc/42/11/38/844421138.db2.gz PIQHBLMPKNFPMN-ARFHVFGLSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929877 844420993 /nfs/dbraw/zinc/42/09/93/844420993.db2.gz PIQHBLMPKNFPMN-BZUAXINKSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929877 844420989 /nfs/dbraw/zinc/42/09/89/844420989.db2.gz PIQHBLMPKNFPMN-BZUAXINKSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929877 844420983 /nfs/dbraw/zinc/42/09/83/844420983.db2.gz PIQHBLMPKNFPMN-BZUAXINKSA-N 2 1 353.467 -0.600 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213931914 844421965 /nfs/dbraw/zinc/42/19/65/844421965.db2.gz RALVSDVCMGOTRJ-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213931914 844421960 /nfs/dbraw/zinc/42/19/60/844421960.db2.gz RALVSDVCMGOTRJ-BRWVUGGUSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213931915 844422179 /nfs/dbraw/zinc/42/21/79/844422179.db2.gz RALVSDVCMGOTRJ-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213931915 844422174 /nfs/dbraw/zinc/42/21/74/844422174.db2.gz RALVSDVCMGOTRJ-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214335952 844458051 /nfs/dbraw/zinc/45/80/51/844458051.db2.gz ORJUIRJGGUTDFM-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214335953 844458384 /nfs/dbraw/zinc/45/83/84/844458384.db2.gz ORJUIRJGGUTDFM-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336005 844457880 /nfs/dbraw/zinc/45/78/80/844457880.db2.gz QNXAGCBSGUXFAW-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336006 844458604 /nfs/dbraw/zinc/45/86/04/844458604.db2.gz QNXAGCBSGUXFAW-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214336155 844458151 /nfs/dbraw/zinc/45/81/51/844458151.db2.gz WDGIUNCVRXBJGG-MCIONIFRSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214336156 844458274 /nfs/dbraw/zinc/45/82/74/844458274.db2.gz WDGIUNCVRXBJGG-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343678 844458307 /nfs/dbraw/zinc/45/83/07/844458307.db2.gz CGXPXHNQACLRIL-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343679 844458013 /nfs/dbraw/zinc/45/80/13/844458013.db2.gz CGXPXHNQACLRIL-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344038 844458495 /nfs/dbraw/zinc/45/84/95/844458495.db2.gz MTZFNHACPSFZPO-MCIONIFRSA-N 2 1 353.467 -0.247 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344039 844458087 /nfs/dbraw/zinc/45/80/87/844458087.db2.gz MTZFNHACPSFZPO-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344717 844458408 /nfs/dbraw/zinc/45/84/08/844458408.db2.gz XHSDDHIMBBZHGF-BNOWGMLFSA-N 2 1 351.451 -0.495 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344721 844458125 /nfs/dbraw/zinc/45/81/25/844458125.db2.gz XHSDDHIMBBZHGF-MRVWCRGKSA-N 2 1 351.451 -0.495 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386468 844461400 /nfs/dbraw/zinc/46/14/00/844461400.db2.gz HXICIYDDTNIKJQ-KFWWJZLASA-N 2 1 355.483 -0.539 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386468 844461393 /nfs/dbraw/zinc/46/13/93/844461393.db2.gz HXICIYDDTNIKJQ-KFWWJZLASA-N 2 1 355.483 -0.539 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386470 844461767 /nfs/dbraw/zinc/46/17/67/844461767.db2.gz HXICIYDDTNIKJQ-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386470 844461763 /nfs/dbraw/zinc/46/17/63/844461763.db2.gz HXICIYDDTNIKJQ-RBSFLKMASA-N 2 1 355.483 -0.539 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214387091 844462409 /nfs/dbraw/zinc/46/24/09/844462409.db2.gz RJGJRLCVYJYVBY-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214387091 844462404 /nfs/dbraw/zinc/46/24/04/844462404.db2.gz RJGJRLCVYJYVBY-KFWWJZLASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214387092 844462919 /nfs/dbraw/zinc/46/29/19/844462919.db2.gz RJGJRLCVYJYVBY-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214387092 844462917 /nfs/dbraw/zinc/46/29/17/844462917.db2.gz RJGJRLCVYJYVBY-RBSFLKMASA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214388572 844462476 /nfs/dbraw/zinc/46/24/76/844462476.db2.gz CDFFEQRGMACFCL-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214388572 844462473 /nfs/dbraw/zinc/46/24/73/844462473.db2.gz CDFFEQRGMACFCL-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214388573 844462937 /nfs/dbraw/zinc/46/29/37/844462937.db2.gz CDFFEQRGMACFCL-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214388573 844462933 /nfs/dbraw/zinc/46/29/33/844462933.db2.gz CDFFEQRGMACFCL-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001214388950 844462845 /nfs/dbraw/zinc/46/28/45/844462845.db2.gz MUOBWLLLCJTNHS-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001214388950 844462840 /nfs/dbraw/zinc/46/28/40/844462840.db2.gz MUOBWLLLCJTNHS-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001214388951 844462724 /nfs/dbraw/zinc/46/27/24/844462724.db2.gz MUOBWLLLCJTNHS-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001214388951 844462718 /nfs/dbraw/zinc/46/27/18/844462718.db2.gz MUOBWLLLCJTNHS-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214388956 844462666 /nfs/dbraw/zinc/46/26/66/844462666.db2.gz MYGZGBMVGPARLG-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214388956 844462665 /nfs/dbraw/zinc/46/26/65/844462665.db2.gz MYGZGBMVGPARLG-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214388957 844462341 /nfs/dbraw/zinc/46/23/41/844462341.db2.gz MYGZGBMVGPARLG-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214388957 844462338 /nfs/dbraw/zinc/46/23/38/844462338.db2.gz MYGZGBMVGPARLG-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214389015 844462437 /nfs/dbraw/zinc/46/24/37/844462437.db2.gz PKNFBQVRYZFOGA-IJLUTSLNSA-N 2 1 366.384 -0.568 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214389015 844462431 /nfs/dbraw/zinc/46/24/31/844462431.db2.gz PKNFBQVRYZFOGA-IJLUTSLNSA-N 2 1 366.384 -0.568 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214389016 844462641 /nfs/dbraw/zinc/46/26/41/844462641.db2.gz PKNFBQVRYZFOGA-UTUOFQBUSA-N 2 1 366.384 -0.568 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214389016 844462637 /nfs/dbraw/zinc/46/26/37/844462637.db2.gz PKNFBQVRYZFOGA-UTUOFQBUSA-N 2 1 366.384 -0.568 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214389383 844462500 /nfs/dbraw/zinc/46/25/00/844462500.db2.gz WRLMRICQFBNBNE-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214389383 844462495 /nfs/dbraw/zinc/46/24/95/844462495.db2.gz WRLMRICQFBNBNE-BMFZPTHFSA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214389384 844462319 /nfs/dbraw/zinc/46/23/19/844462319.db2.gz WRLMRICQFBNBNE-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214389384 844462314 /nfs/dbraw/zinc/46/23/14/844462314.db2.gz WRLMRICQFBNBNE-FVQBIDKESA-N 2 1 352.479 -0.378 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214389400 844462812 /nfs/dbraw/zinc/46/28/12/844462812.db2.gz XIERKJVUODBWTP-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214389400 844462808 /nfs/dbraw/zinc/46/28/08/844462808.db2.gz XIERKJVUODBWTP-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214389401 844462969 /nfs/dbraw/zinc/46/29/69/844462969.db2.gz XIERKJVUODBWTP-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214389401 844462966 /nfs/dbraw/zinc/46/29/66/844462966.db2.gz XIERKJVUODBWTP-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389463 844462903 /nfs/dbraw/zinc/46/29/03/844462903.db2.gz ZPHXWPBLFXICAR-KFWWJZLASA-N 2 1 361.508 -0.422 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389463 844462897 /nfs/dbraw/zinc/46/28/97/844462897.db2.gz ZPHXWPBLFXICAR-KFWWJZLASA-N 2 1 361.508 -0.422 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389464 844462681 /nfs/dbraw/zinc/46/26/81/844462681.db2.gz ZPHXWPBLFXICAR-RBSFLKMASA-N 2 1 361.508 -0.422 20 0 FBADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389464 844462675 /nfs/dbraw/zinc/46/26/75/844462675.db2.gz ZPHXWPBLFXICAR-RBSFLKMASA-N 2 1 361.508 -0.422 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596973 844477754 /nfs/dbraw/zinc/47/77/54/844477754.db2.gz BMDXVBJOWRFPSZ-MCIONIFRSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596974 844478145 /nfs/dbraw/zinc/47/81/45/844478145.db2.gz BMDXVBJOWRFPSZ-MGPQQGTHSA-N 2 1 353.467 -0.249 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214610614 844478689 /nfs/dbraw/zinc/47/86/89/844478689.db2.gz AZBORZJQODMKQS-KFWWJZLASA-N 2 1 360.524 -0.155 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214610615 844479098 /nfs/dbraw/zinc/47/90/98/844479098.db2.gz AZBORZJQODMKQS-RBSFLKMASA-N 2 1 360.524 -0.155 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661765 844484745 /nfs/dbraw/zinc/48/47/45/844484745.db2.gz CHDMWVGMQRRREC-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661781 844485111 /nfs/dbraw/zinc/48/51/11/844485111.db2.gz DJYICVDGAFMNRO-AAVRWANBSA-N 2 1 353.467 -0.391 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663831 844484890 /nfs/dbraw/zinc/48/48/90/844484890.db2.gz FJCJTTREOOXQQA-MUIFIZLQSA-N 2 1 354.495 -0.084 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663946 844485178 /nfs/dbraw/zinc/48/51/78/844485178.db2.gz GJNSOARSZPJLBK-KBUPBQIOSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214664102 844485001 /nfs/dbraw/zinc/48/50/01/844485001.db2.gz KWGCXWQGSQUAFJ-KBUPBQIOSA-N 2 1 360.524 -0.346 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664279 844484569 /nfs/dbraw/zinc/48/45/69/844484569.db2.gz UTCWEBOPRVFTBV-KLHDSHLOSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001214665395 844485066 /nfs/dbraw/zinc/48/50/66/844485066.db2.gz AFLZFBNLPJZXOD-XJFOESAGSA-N 2 1 353.467 -0.391 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001214668007 844485863 /nfs/dbraw/zinc/48/58/63/844485863.db2.gz MNNYACNPIYRVOP-LXTVHRRPSA-N 2 1 360.524 -0.298 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214779963 844499691 /nfs/dbraw/zinc/49/96/91/844499691.db2.gz FIBDWGQRFTZXJB-MCIONIFRSA-N 2 1 353.467 -0.247 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214779964 844500243 /nfs/dbraw/zinc/50/02/43/844500243.db2.gz FIBDWGQRFTZXJB-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214780269 844500345 /nfs/dbraw/zinc/50/03/45/844500345.db2.gz SEKZSNBDYBDURX-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214780270 844499819 /nfs/dbraw/zinc/49/98/19/844499819.db2.gz SEKZSNBDYBDURX-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001214845496 844504192 /nfs/dbraw/zinc/50/41/92/844504192.db2.gz WQNWDXJEOLOGQK-HZSPNIEDSA-N 2 1 353.467 -0.404 20 0 FBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001214845497 844504440 /nfs/dbraw/zinc/50/44/40/844504440.db2.gz WQNWDXJEOLOGQK-MGPQQGTHSA-N 2 1 353.467 -0.404 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001214850410 844503930 /nfs/dbraw/zinc/50/39/30/844503930.db2.gz VBDNVYJIHAIOAT-BZUAXINKSA-N 2 1 353.467 -0.741 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001214850411 844503743 /nfs/dbraw/zinc/50/37/43/844503743.db2.gz VBDNVYJIHAIOAT-OAGGEKHMSA-N 2 1 353.467 -0.741 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850414 844503873 /nfs/dbraw/zinc/50/38/73/844503873.db2.gz VGQLLLLOCKZKBY-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850415 844504301 /nfs/dbraw/zinc/50/43/01/844504301.db2.gz VGQLLLLOCKZKBY-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214852601 844503987 /nfs/dbraw/zinc/50/39/87/844503987.db2.gz DZONAXWKKAIMQB-KFWWJZLASA-N 2 1 350.467 -0.662 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214852602 844503913 /nfs/dbraw/zinc/50/39/13/844503913.db2.gz DZONAXWKKAIMQB-RBSFLKMASA-N 2 1 350.467 -0.662 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214852810 844503804 /nfs/dbraw/zinc/50/38/04/844503804.db2.gz JSSAIHROQPYWTH-HZSPNIEDSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214852811 844504583 /nfs/dbraw/zinc/50/45/83/844504583.db2.gz JSSAIHROQPYWTH-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853249 844504062 /nfs/dbraw/zinc/50/40/62/844504062.db2.gz VFYZPYXXVKIHRM-KFWWJZLASA-N 2 1 350.467 -0.614 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853250 844505455 /nfs/dbraw/zinc/50/54/55/844505455.db2.gz VFYZPYXXVKIHRM-RBSFLKMASA-N 2 1 350.467 -0.614 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855674 844505124 /nfs/dbraw/zinc/50/51/24/844505124.db2.gz KNQJWUFJCQVLHU-MCIONIFRSA-N 2 1 369.491 -0.254 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855675 844505154 /nfs/dbraw/zinc/50/51/54/844505154.db2.gz KNQJWUFJCQVLHU-MGPQQGTHSA-N 2 1 369.491 -0.254 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861131 844505439 /nfs/dbraw/zinc/50/54/39/844505439.db2.gz IVYSBOKKAYPKBX-UKRRQHHQSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861262 844505510 /nfs/dbraw/zinc/50/55/10/844505510.db2.gz NJUOCNPHBQXZQV-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214861383 844505568 /nfs/dbraw/zinc/50/55/68/844505568.db2.gz SLOBZCVPPJYJFT-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861513 844505479 /nfs/dbraw/zinc/50/54/79/844505479.db2.gz VPZVUNQMAPZSRA-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861514 844504954 /nfs/dbraw/zinc/50/49/54/844504954.db2.gz VPZVUNQMAPZSRA-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214862962 844505225 /nfs/dbraw/zinc/50/52/25/844505225.db2.gz BCLZBCXFAOBFJU-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214862965 844505645 /nfs/dbraw/zinc/50/56/45/844505645.db2.gz BCLZBCXFAOBFJU-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214890275 844507129 /nfs/dbraw/zinc/50/71/29/844507129.db2.gz VMFJCYULFNXRKO-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214890276 844507021 /nfs/dbraw/zinc/50/70/21/844507021.db2.gz VMFJCYULFNXRKO-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890287 844507699 /nfs/dbraw/zinc/50/76/99/844507699.db2.gz VULYWIVGNUQRCW-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890290 844507153 /nfs/dbraw/zinc/50/71/53/844507153.db2.gz VULYWIVGNUQRCW-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214894356 844507399 /nfs/dbraw/zinc/50/73/99/844507399.db2.gz KBDXNKPHYWNJOJ-HKUMRIAESA-N 2 1 355.464 -0.501 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001214895019 844507187 /nfs/dbraw/zinc/50/71/87/844507187.db2.gz XJLCOBMEZZQLMY-RGCMKSIDSA-N 2 1 369.491 -0.111 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214895069 844507247 /nfs/dbraw/zinc/50/72/47/844507247.db2.gz ZGPQEELVBPWTCW-RGCMKSIDSA-N 2 1 369.491 -0.159 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214950028 844510944 /nfs/dbraw/zinc/51/09/44/844510944.db2.gz KAJKGMKPKSCQKW-RRCSTGOVSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214950028 844510942 /nfs/dbraw/zinc/51/09/42/844510942.db2.gz KAJKGMKPKSCQKW-RRCSTGOVSA-N 2 1 352.479 -0.237 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214950254 844510827 /nfs/dbraw/zinc/51/08/27/844510827.db2.gz OBPYINBFZCXBMW-RRCSTGOVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214950254 844510823 /nfs/dbraw/zinc/51/08/23/844510823.db2.gz OBPYINBFZCXBMW-RRCSTGOVSA-N 2 1 352.479 -0.332 20 0 FBADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950340 844510885 /nfs/dbraw/zinc/51/08/85/844510885.db2.gz PFRNGLLRDJWJKQ-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950340 844510881 /nfs/dbraw/zinc/51/08/81/844510881.db2.gz PFRNGLLRDJWJKQ-KLHDSHLOSA-N 2 1 354.495 -0.086 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214950371 844510802 /nfs/dbraw/zinc/51/08/02/844510802.db2.gz PUBNYHNHTVDHHL-KBUPBQIOSA-N 2 1 361.508 -0.423 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214950371 844510798 /nfs/dbraw/zinc/51/07/98/844510798.db2.gz PUBNYHNHTVDHHL-KBUPBQIOSA-N 2 1 361.508 -0.423 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214950627 844510934 /nfs/dbraw/zinc/51/09/34/844510934.db2.gz VBCCBAVSZFKDML-RRCSTGOVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214950627 844510931 /nfs/dbraw/zinc/51/09/31/844510931.db2.gz VBCCBAVSZFKDML-RRCSTGOVSA-N 2 1 352.479 -0.332 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214968985 844513162 /nfs/dbraw/zinc/51/31/62/844513162.db2.gz GWHPQMUKLGPRQG-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214968986 844512714 /nfs/dbraw/zinc/51/27/14/844512714.db2.gz GWHPQMUKLGPRQG-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969187 844513104 /nfs/dbraw/zinc/51/31/04/844513104.db2.gz KHBLMCZXOJUZOG-MCIONIFRSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969188 844512924 /nfs/dbraw/zinc/51/29/24/844512924.db2.gz KHBLMCZXOJUZOG-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969191 844512597 /nfs/dbraw/zinc/51/25/97/844512597.db2.gz KJHKWEJDCHKKBU-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969192 844512830 /nfs/dbraw/zinc/51/28/30/844512830.db2.gz KJHKWEJDCHKKBU-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001214996842 844516689 /nfs/dbraw/zinc/51/66/89/844516689.db2.gz DOAXEHQVJYQPLI-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001214999498 844516886 /nfs/dbraw/zinc/51/68/86/844516886.db2.gz KDFOEBAYWRYXKH-FRRDWIJNSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001214999499 844517266 /nfs/dbraw/zinc/51/72/66/844517266.db2.gz KDFOEBAYWRYXKH-JHJVBQTASA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215004056 844516755 /nfs/dbraw/zinc/51/67/55/844516755.db2.gz RLJGDVPCWZSSSO-CHWSQXEVSA-N 2 1 355.483 -0.001 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215036211 844520007 /nfs/dbraw/zinc/52/00/07/844520007.db2.gz RQTGIFRFUFVLLF-MCIONIFRSA-N 2 1 353.467 -0.262 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215036212 844520072 /nfs/dbraw/zinc/52/00/72/844520072.db2.gz RQTGIFRFUFVLLF-MGPQQGTHSA-N 2 1 353.467 -0.262 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155522 844527384 /nfs/dbraw/zinc/52/73/84/844527384.db2.gz AADNZYVRZHSVNI-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155879 844527442 /nfs/dbraw/zinc/52/74/42/844527442.db2.gz NNLFOOVMLZROHZ-UKRRQHHQSA-N 2 1 351.451 -0.219 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001215155903 844527334 /nfs/dbraw/zinc/52/73/34/844527334.db2.gz OPBPXQYBDDDOGY-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155908 844527193 /nfs/dbraw/zinc/52/71/93/844527193.db2.gz OUOZUORJDRYNJI-TZMCWYRMSA-N 2 1 357.480 -0.433 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156003 844527496 /nfs/dbraw/zinc/52/74/96/844527496.db2.gz UBBYPXTWICSBFB-UKRRQHHQSA-N 2 1 351.451 -0.219 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156018 844527315 /nfs/dbraw/zinc/52/73/15/844527315.db2.gz UYNXLWDNBMQWKO-DGCLKSJQSA-N 2 1 350.423 -0.526 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156041 844527394 /nfs/dbraw/zinc/52/73/94/844527394.db2.gz VNRSUWKIYMWATA-KGYLQXTDSA-N 2 1 350.423 -0.528 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156042 844527360 /nfs/dbraw/zinc/52/73/60/844527360.db2.gz VNRSUWKIYMWATA-RAIGVLPGSA-N 2 1 350.423 -0.528 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001215156056 844527614 /nfs/dbraw/zinc/52/76/14/844527614.db2.gz WBDATEIZOQCVBE-TZMCWYRMSA-N 2 1 357.480 -0.481 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156082 844527223 /nfs/dbraw/zinc/52/72/23/844527223.db2.gz XQAXQLLASYURPY-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156100 844527597 /nfs/dbraw/zinc/52/75/97/844527597.db2.gz YPPKOYRBMLQCHA-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156101 844527483 /nfs/dbraw/zinc/52/74/83/844527483.db2.gz YPPKOYRBMLQCHA-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184534 844528619 /nfs/dbraw/zinc/52/86/19/844528619.db2.gz IFSSHOHMLLNNIP-ILLDSPSKSA-N 2 1 350.463 -0.626 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184535 844528531 /nfs/dbraw/zinc/52/85/31/844528531.db2.gz IFSSHOHMLLNNIP-PGJZFTLKSA-N 2 1 350.463 -0.626 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184692 844528498 /nfs/dbraw/zinc/52/84/98/844528498.db2.gz OQCZQZOAUMBVJK-ILLDSPSKSA-N 2 1 350.463 -0.578 20 0 FBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184693 844528107 /nfs/dbraw/zinc/52/81/07/844528107.db2.gz OQCZQZOAUMBVJK-PGJZFTLKSA-N 2 1 350.463 -0.578 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184697 844528521 /nfs/dbraw/zinc/52/85/21/844528521.db2.gz OVTLSWDEQLVIIL-HCBPCCMXSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184698 844528598 /nfs/dbraw/zinc/52/85/98/844528598.db2.gz OVTLSWDEQLVIIL-MYPHYYIGSA-N 2 1 353.463 -0.705 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184703 844528328 /nfs/dbraw/zinc/52/83/28/844528328.db2.gz PAANJPJJCRQOMW-QVCPJDEESA-N 2 1 371.503 -0.669 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184704 844528162 /nfs/dbraw/zinc/52/81/62/844528162.db2.gz PAANJPJJCRQOMW-RJZXRHAOSA-N 2 1 371.503 -0.669 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001215316703 844537931 /nfs/dbraw/zinc/53/79/31/844537931.db2.gz JZADGNPFTGCYBP-QKPAOTATSA-N 2 1 352.479 -0.500 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215381057 844541051 /nfs/dbraw/zinc/54/10/51/844541051.db2.gz MUVXAUKXKRUJKB-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215381058 844541205 /nfs/dbraw/zinc/54/12/05/844541205.db2.gz MUVXAUKXKRUJKB-MGPQQGTHSA-N 2 1 353.467 -0.260 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215393341 844542446 /nfs/dbraw/zinc/54/24/46/844542446.db2.gz YFBWUPUOZQCVMO-KFWWJZLASA-N 2 1 361.508 -0.423 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215393341 844542439 /nfs/dbraw/zinc/54/24/39/844542439.db2.gz YFBWUPUOZQCVMO-KFWWJZLASA-N 2 1 361.508 -0.423 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215393342 844542322 /nfs/dbraw/zinc/54/23/22/844542322.db2.gz YFBWUPUOZQCVMO-RBSFLKMASA-N 2 1 361.508 -0.423 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215393342 844542318 /nfs/dbraw/zinc/54/23/18/844542318.db2.gz YFBWUPUOZQCVMO-RBSFLKMASA-N 2 1 361.508 -0.423 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215393371 844542505 /nfs/dbraw/zinc/54/25/05/844542505.db2.gz YYGOTLCRNNXWII-BMFZPTHFSA-N 2 1 352.479 -0.189 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215393371 844542501 /nfs/dbraw/zinc/54/25/01/844542501.db2.gz YYGOTLCRNNXWII-BMFZPTHFSA-N 2 1 352.479 -0.189 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215393372 844542561 /nfs/dbraw/zinc/54/25/61/844542561.db2.gz YYGOTLCRNNXWII-FVQBIDKESA-N 2 1 352.479 -0.189 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215393372 844542556 /nfs/dbraw/zinc/54/25/56/844542556.db2.gz YYGOTLCRNNXWII-FVQBIDKESA-N 2 1 352.479 -0.189 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215396826 844543593 /nfs/dbraw/zinc/54/35/93/844543593.db2.gz FNMOYMDHDKBGSR-CBBWQLFWSA-N 2 1 360.524 -0.298 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397371 844543240 /nfs/dbraw/zinc/54/32/40/844543240.db2.gz YBGJIOSXLBSRAD-ZOBORPQBSA-N 2 1 353.467 -0.391 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536118 844549892 /nfs/dbraw/zinc/54/98/92/844549892.db2.gz JBYFTPWAOMUWTF-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536119 844550168 /nfs/dbraw/zinc/55/01/68/844550168.db2.gz JBYFTPWAOMUWTF-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536219 844549479 /nfs/dbraw/zinc/54/94/79/844549479.db2.gz MUJLFXSAEJSSOU-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536220 844549934 /nfs/dbraw/zinc/54/99/34/844549934.db2.gz MUJLFXSAEJSSOU-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540317 844550007 /nfs/dbraw/zinc/55/00/07/844550007.db2.gz LRGUDLUFEMNNBU-ARFHVFGLSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540318 844549622 /nfs/dbraw/zinc/54/96/22/844549622.db2.gz LRGUDLUFEMNNBU-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540628 844549983 /nfs/dbraw/zinc/54/99/83/844549983.db2.gz OJGJHDFCGKPYSH-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540629 844549462 /nfs/dbraw/zinc/54/94/62/844549462.db2.gz OJGJHDFCGKPYSH-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540772 844549639 /nfs/dbraw/zinc/54/96/39/844549639.db2.gz PQYTWRIBCGDFAU-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540773 844549714 /nfs/dbraw/zinc/54/97/14/844549714.db2.gz PQYTWRIBCGDFAU-RRFJBIMHSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)C1 ZINC001215540784 844550041 /nfs/dbraw/zinc/55/00/41/844550041.db2.gz PUYVVZLVWCJAPW-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215540785 844549753 /nfs/dbraw/zinc/54/97/53/844549753.db2.gz PUYVVZLVWCJAPW-RRFJBIMHSA-N 2 1 360.524 -0.344 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541318 844549772 /nfs/dbraw/zinc/54/97/72/844549772.db2.gz YBXSDMXRURXUMR-BFYDXBDKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541319 844549740 /nfs/dbraw/zinc/54/97/40/844549740.db2.gz YBXSDMXRURXUMR-ZMSDIMECSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541372 844549531 /nfs/dbraw/zinc/54/95/31/844549531.db2.gz ZQYXMTSGAJTRHB-BFHYXJOUSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541373 844549966 /nfs/dbraw/zinc/54/99/66/844549966.db2.gz ZQYXMTSGAJTRHB-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215544414 844550026 /nfs/dbraw/zinc/55/00/26/844550026.db2.gz TYUYXCGSSXBONP-ARFHVFGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215544415 844550191 /nfs/dbraw/zinc/55/01/91/844550191.db2.gz TYUYXCGSSXBONP-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551357 844550141 /nfs/dbraw/zinc/55/01/41/844550141.db2.gz PJCOUBXZGYUVGV-CHWSQXEVSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557786 844550768 /nfs/dbraw/zinc/55/07/68/844550768.db2.gz CPBASMTXJTWALG-FRRDWIJNSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557787 844550586 /nfs/dbraw/zinc/55/05/86/844550586.db2.gz CPBASMTXJTWALG-JHJVBQTASA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215557988 844550615 /nfs/dbraw/zinc/55/06/15/844550615.db2.gz IIHUQZKSVLMNCN-ZIAGYGMSSA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563429 844550726 /nfs/dbraw/zinc/55/07/26/844550726.db2.gz GBHGDLXKWGIKEC-CHWSQXEVSA-N 2 1 355.483 -0.144 20 0 FBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567682 844550969 /nfs/dbraw/zinc/55/09/69/844550969.db2.gz DPRAHFGHRJSPSO-FRRDWIJNSA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567683 844550922 /nfs/dbraw/zinc/55/09/22/844550922.db2.gz DPRAHFGHRJSPSO-JHJVBQTASA-N 2 1 355.483 -0.016 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215568377 844550643 /nfs/dbraw/zinc/55/06/43/844550643.db2.gz NVIKDRPIOMDUOA-ZIAGYGMSSA-N 2 1 362.540 -0.050 20 0 FBADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215723026 844557847 /nfs/dbraw/zinc/55/78/47/844557847.db2.gz QXGTYXCYFXVZLA-VXGBXAGGSA-N 2 1 350.423 -0.362 20 0 FBADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001215728240 844557542 /nfs/dbraw/zinc/55/75/42/844557542.db2.gz NRWBUTCFDQCDTL-ZIAGYGMSSA-N 2 1 371.507 -0.008 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215774624 844561591 /nfs/dbraw/zinc/56/15/91/844561591.db2.gz UALMMPNIIZVCRP-MCIONIFRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215774626 844561731 /nfs/dbraw/zinc/56/17/31/844561731.db2.gz UALMMPNIIZVCRP-MGPQQGTHSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215929630 844569338 /nfs/dbraw/zinc/56/93/38/844569338.db2.gz IRRQTXJKTRSSAE-GDBMZVCRSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215929957 844569022 /nfs/dbraw/zinc/56/90/22/844569022.db2.gz NBBWHQBVAYCSGT-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001215934025 844569085 /nfs/dbraw/zinc/56/90/85/844569085.db2.gz CJWAIBDMPLMUBD-IAGOWNOFSA-N 2 1 357.495 -0.066 20 0 FBADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215934163 844568759 /nfs/dbraw/zinc/56/87/59/844568759.db2.gz GKKMVFJTGFHNBD-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215934164 844568641 /nfs/dbraw/zinc/56/86/41/844568641.db2.gz GKKMVFJTGFHNBD-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934295 844568798 /nfs/dbraw/zinc/56/87/98/844568798.db2.gz MWEHWAGYWZCQJG-BRWVUGGUSA-N 2 1 357.495 -0.067 20 0 FBADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934296 844568822 /nfs/dbraw/zinc/56/88/22/844568822.db2.gz MWEHWAGYWZCQJG-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215934395 844569314 /nfs/dbraw/zinc/56/93/14/844569314.db2.gz QZGOBKIQWPKGSD-DGCLKSJQSA-N 2 1 350.423 -0.397 20 0 FBADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001215934426 844568812 /nfs/dbraw/zinc/56/88/12/844568812.db2.gz SDLFKHZMBYBSNW-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938654 844569267 /nfs/dbraw/zinc/56/92/67/844569267.db2.gz IMCOVHNOHMQKOD-HZPDHXFCSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215938747 844569363 /nfs/dbraw/zinc/56/93/63/844569363.db2.gz MBLALSNAOPKJRJ-IIAWOOMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215938748 844569221 /nfs/dbraw/zinc/56/92/21/844569221.db2.gz MBLALSNAOPKJRJ-IJEWVQPXSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215938940 844569906 /nfs/dbraw/zinc/56/99/06/844569906.db2.gz QBCQVTJPLAWBLC-HUUCEWRRSA-N 2 1 361.508 -0.420 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215939150 844570462 /nfs/dbraw/zinc/57/04/62/844570462.db2.gz WCYQUGWIHFCJMJ-GDBMZVCRSA-N 2 1 352.479 -0.329 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217350 844580980 /nfs/dbraw/zinc/58/09/80/844580980.db2.gz RZOGGIBCXPBMHF-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217351 844580819 /nfs/dbraw/zinc/58/08/19/844580819.db2.gz RZOGGIBCXPBMHF-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216221550 844580695 /nfs/dbraw/zinc/58/06/95/844580695.db2.gz IEHBOOMNIPBGGW-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216221565 844580657 /nfs/dbraw/zinc/58/06/57/844580657.db2.gz IILZTFGZHGTCDC-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216225995 844580378 /nfs/dbraw/zinc/58/03/78/844580378.db2.gz KERQCHOGYXTFCM-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216225996 844580520 /nfs/dbraw/zinc/58/05/20/844580520.db2.gz KERQCHOGYXTFCM-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216226341 844580607 /nfs/dbraw/zinc/58/06/07/844580607.db2.gz SXKMWXCEDNTJKW-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216226569 844580329 /nfs/dbraw/zinc/58/03/29/844580329.db2.gz XQPOIKPKLDECJR-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216382954 844586796 /nfs/dbraw/zinc/58/67/96/844586796.db2.gz FOTSHBMFOREKPD-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216382955 844586683 /nfs/dbraw/zinc/58/66/83/844586683.db2.gz FOTSHBMFOREKPD-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383325 844586602 /nfs/dbraw/zinc/58/66/02/844586602.db2.gz KIRLEBOXJJGQIO-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383327 844586473 /nfs/dbraw/zinc/58/64/73/844586473.db2.gz KIRLEBOXJJGQIO-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216383585 844586248 /nfs/dbraw/zinc/58/62/48/844586248.db2.gz OKDOHKGOLBWKAK-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216383587 844586293 /nfs/dbraw/zinc/58/62/93/844586293.db2.gz OKDOHKGOLBWKAK-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383598 844586675 /nfs/dbraw/zinc/58/66/75/844586675.db2.gz OQCCRCZFQCZXEA-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383600 844586634 /nfs/dbraw/zinc/58/66/34/844586634.db2.gz OQCCRCZFQCZXEA-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383894 844586539 /nfs/dbraw/zinc/58/65/39/844586539.db2.gz SYOCVTBGNWBNBY-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383895 844587640 /nfs/dbraw/zinc/58/76/40/844587640.db2.gz SYOCVTBGNWBNBY-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384057 844587372 /nfs/dbraw/zinc/58/73/72/844587372.db2.gz WBDQIKHLSGGBPS-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384058 844587689 /nfs/dbraw/zinc/58/76/89/844587689.db2.gz WBDQIKHLSGGBPS-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401574 844588802 /nfs/dbraw/zinc/58/88/02/844588802.db2.gz NAQPMGOLIAPOFE-ZIAGYGMSSA-N 2 1 353.471 -0.231 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001216401608 844588538 /nfs/dbraw/zinc/58/85/38/844588538.db2.gz NZHCJKUPGZQDOO-TZMCWYRMSA-N 2 1 351.455 -0.477 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001216401899 844588368 /nfs/dbraw/zinc/58/83/68/844588368.db2.gz QKZNSUHWAAWVKJ-ZIAGYGMSSA-N 2 1 356.446 -0.238 20 0 FBADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1C ZINC001216402174 844588261 /nfs/dbraw/zinc/58/82/61/844588261.db2.gz WKLAXBDMEYEXGF-ZIAGYGMSSA-N 2 1 352.483 -0.108 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498880 844590731 /nfs/dbraw/zinc/59/07/31/844590731.db2.gz ADUSSMYIXWNEOS-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498881 844590889 /nfs/dbraw/zinc/59/08/89/844590889.db2.gz ADUSSMYIXWNEOS-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216502716 844590608 /nfs/dbraw/zinc/59/06/08/844590608.db2.gz IKZVUDXQJNUYRD-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216506177 844590624 /nfs/dbraw/zinc/59/06/24/844590624.db2.gz DTABAVZCCPJTFU-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216510905 844590492 /nfs/dbraw/zinc/59/04/92/844590492.db2.gz CWWQGEYQGSINAA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216510906 844590416 /nfs/dbraw/zinc/59/04/16/844590416.db2.gz CWWQGEYQGSINAA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216510981 844590824 /nfs/dbraw/zinc/59/08/24/844590824.db2.gz HOEBFIMHURBIIK-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216511029 844590560 /nfs/dbraw/zinc/59/05/60/844590560.db2.gz IZQPCTAPCIQBSI-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216511547 844590692 /nfs/dbraw/zinc/59/06/92/844590692.db2.gz SZFBZJJVTXACJL-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216514315 844590396 /nfs/dbraw/zinc/59/03/96/844590396.db2.gz DYLNGMHGWGTEED-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216514316 844590526 /nfs/dbraw/zinc/59/05/26/844590526.db2.gz DYLNGMHGWGTEED-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216752005 844603335 /nfs/dbraw/zinc/60/33/35/844603335.db2.gz FLPIPPWGCHCWGX-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216752007 844602979 /nfs/dbraw/zinc/60/29/79/844602979.db2.gz FLPIPPWGCHCWGX-MGPQQGTHSA-N 2 1 351.451 -0.684 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001216752033 844603290 /nfs/dbraw/zinc/60/32/90/844603290.db2.gz GAOGEIQCIHQFQE-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001216752034 844603015 /nfs/dbraw/zinc/60/30/15/844603015.db2.gz GAOGEIQCIHQFQE-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754076 844602896 /nfs/dbraw/zinc/60/28/96/844602896.db2.gz GQAMHXUBMVFNLD-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754077 844603377 /nfs/dbraw/zinc/60/33/77/844603377.db2.gz GQAMHXUBMVFNLD-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216754302 844603355 /nfs/dbraw/zinc/60/33/55/844603355.db2.gz OQFDVDQZEPNRRA-IIAWOOMASA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216754303 844603321 /nfs/dbraw/zinc/60/33/21/844603321.db2.gz OQFDVDQZEPNRRA-IJEWVQPXSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216754331 844602911 /nfs/dbraw/zinc/60/29/11/844602911.db2.gz PMPDXNWGAYFSFR-MBNYWOFBSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216754332 844603307 /nfs/dbraw/zinc/60/33/07/844603307.db2.gz PMPDXNWGAYFSFR-YRGRVCCFSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216754334 844603147 /nfs/dbraw/zinc/60/31/47/844603147.db2.gz POGYBWRHFIVMPQ-GRYCIOLGSA-N 2 1 352.464 -0.135 20 0 FBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216754335 844603175 /nfs/dbraw/zinc/60/31/75/844603175.db2.gz POGYBWRHFIVMPQ-IJLUTSLNSA-N 2 1 352.464 -0.135 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754417 844603205 /nfs/dbraw/zinc/60/32/05/844603205.db2.gz TVUIXRBTEIMIMD-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754418 844602795 /nfs/dbraw/zinc/60/27/95/844602795.db2.gz TVUIXRBTEIMIMD-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216755901 844604086 /nfs/dbraw/zinc/60/40/86/844604086.db2.gz JOXQHIBBXMEVDV-UKRRQHHQSA-N 2 1 371.507 -0.043 20 0 FBADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216755947 844603906 /nfs/dbraw/zinc/60/39/06/844603906.db2.gz LMDWDECUMOXMIJ-UKRRQHHQSA-N 2 1 351.451 -0.219 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756043 844603942 /nfs/dbraw/zinc/60/39/42/844603942.db2.gz PPUWYTFDZCVXRL-DGCLKSJQSA-N 2 1 350.423 -0.526 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216756211 844603756 /nfs/dbraw/zinc/60/37/56/844603756.db2.gz XMXYIGHHAKVLNK-TZMCWYRMSA-N 2 1 357.480 -0.481 20 0 FBADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756250 844604249 /nfs/dbraw/zinc/60/42/49/844604249.db2.gz ZIQFYLQJYXBSRK-UKRRQHHQSA-N 2 1 351.451 -0.219 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757803 844604296 /nfs/dbraw/zinc/60/42/96/844604296.db2.gz MLYVAENDLSPIRF-TZMCWYRMSA-N 2 1 357.480 -0.433 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216757825 844604147 /nfs/dbraw/zinc/60/41/47/844604147.db2.gz NGTCDWKMVDLFDO-UKRRQHHQSA-N 2 1 371.507 -0.090 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757881 844604096 /nfs/dbraw/zinc/60/40/96/844604096.db2.gz PQOBTLZELKQGBD-NQBHXWOUSA-N 2 1 350.423 -0.528 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757882 844604181 /nfs/dbraw/zinc/60/41/81/844604181.db2.gz PQOBTLZELKQGBD-NTZNESFSSA-N 2 1 350.423 -0.528 20 0 FBADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757914 844604258 /nfs/dbraw/zinc/60/42/58/844604258.db2.gz QPELLJQDGAFHKM-CZUORRHYSA-N 2 1 351.451 -0.219 20 0 FBADMP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216758171 844604263 /nfs/dbraw/zinc/60/42/63/844604263.db2.gz YUBHVWWCRDXADB-FVQBIDKESA-N 2 1 354.451 -0.348 20 0 FBADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216758172 844604123 /nfs/dbraw/zinc/60/41/23/844604123.db2.gz YUBHVWWCRDXADB-VNQPRFMTSA-N 2 1 354.451 -0.348 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001216800653 844609533 /nfs/dbraw/zinc/60/95/33/844609533.db2.gz BMCSBLMHAZKKMH-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001216800653 844609528 /nfs/dbraw/zinc/60/95/28/844609528.db2.gz BMCSBLMHAZKKMH-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001216800654 844609659 /nfs/dbraw/zinc/60/96/59/844609659.db2.gz BMCSBLMHAZKKMH-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001216800654 844609657 /nfs/dbraw/zinc/60/96/57/844609657.db2.gz BMCSBLMHAZKKMH-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001216800680 844608989 /nfs/dbraw/zinc/60/89/89/844608989.db2.gz CBPZPYSGGPYDFY-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001216800680 844608984 /nfs/dbraw/zinc/60/89/84/844608984.db2.gz CBPZPYSGGPYDFY-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001216800682 844609359 /nfs/dbraw/zinc/60/93/59/844609359.db2.gz CBPZPYSGGPYDFY-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001216800682 844609352 /nfs/dbraw/zinc/60/93/52/844609352.db2.gz CBPZPYSGGPYDFY-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001216801621 844609445 /nfs/dbraw/zinc/60/94/45/844609445.db2.gz PDKRNPCGMRPDTL-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001216801621 844609438 /nfs/dbraw/zinc/60/94/38/844609438.db2.gz PDKRNPCGMRPDTL-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001216801622 844609573 /nfs/dbraw/zinc/60/95/73/844609573.db2.gz PDKRNPCGMRPDTL-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001216801622 844609567 /nfs/dbraw/zinc/60/95/67/844609567.db2.gz PDKRNPCGMRPDTL-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001216801653 844609556 /nfs/dbraw/zinc/60/95/56/844609556.db2.gz QIFGYSASQMZCPQ-KFWWJZLASA-N 2 1 361.508 -0.422 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001216801653 844609550 /nfs/dbraw/zinc/60/95/50/844609550.db2.gz QIFGYSASQMZCPQ-KFWWJZLASA-N 2 1 361.508 -0.422 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001216801654 844609149 /nfs/dbraw/zinc/60/91/49/844609149.db2.gz QIFGYSASQMZCPQ-RBSFLKMASA-N 2 1 361.508 -0.422 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001216801654 844609145 /nfs/dbraw/zinc/60/91/45/844609145.db2.gz QIFGYSASQMZCPQ-RBSFLKMASA-N 2 1 361.508 -0.422 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001216801818 844609225 /nfs/dbraw/zinc/60/92/25/844609225.db2.gz VYHQNUDYHBGBHF-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001216801818 844609216 /nfs/dbraw/zinc/60/92/16/844609216.db2.gz VYHQNUDYHBGBHF-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001216801820 844609298 /nfs/dbraw/zinc/60/92/98/844609298.db2.gz VYHQNUDYHBGBHF-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001216801820 844609287 /nfs/dbraw/zinc/60/92/87/844609287.db2.gz VYHQNUDYHBGBHF-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844396 844613330 /nfs/dbraw/zinc/61/33/30/844613330.db2.gz AIGYXZAYMFUJSM-MCIONIFRSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844397 844613448 /nfs/dbraw/zinc/61/34/48/844613448.db2.gz AIGYXZAYMFUJSM-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844915 844613480 /nfs/dbraw/zinc/61/34/80/844613480.db2.gz OAISIRKEZLOCGY-KFWWJZLASA-N 2 1 360.524 -0.154 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844916 844613537 /nfs/dbraw/zinc/61/35/37/844613537.db2.gz OAISIRKEZLOCGY-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216851572 844615538 /nfs/dbraw/zinc/61/55/38/844615538.db2.gz ALJVFTUUCFTXMX-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216851573 844615450 /nfs/dbraw/zinc/61/54/50/844615450.db2.gz ALJVFTUUCFTXMX-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216851779 844615584 /nfs/dbraw/zinc/61/55/84/844615584.db2.gz IEQWSNJIMWFPGZ-HUUCEWRRSA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216852121 844615502 /nfs/dbraw/zinc/61/55/02/844615502.db2.gz QADJXNIBHLPEAI-ZIAGYGMSSA-N 2 1 353.467 -0.295 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216852328 844615183 /nfs/dbraw/zinc/61/51/83/844615183.db2.gz UKGUFKSLZWUCSI-OWCLPIDISA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216852403 844615136 /nfs/dbraw/zinc/61/51/36/844615136.db2.gz YFXRWTFWGACTCE-TZMCWYRMSA-N 2 1 353.467 -0.249 20 0 FBADMP CN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001217595792 844657066 /nfs/dbraw/zinc/65/70/66/844657066.db2.gz RSFCRBRLHUTUEJ-BBWFWOEESA-N 2 1 353.463 -0.345 20 0 FBADMP CN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001217595792 844657060 /nfs/dbraw/zinc/65/70/60/844657060.db2.gz RSFCRBRLHUTUEJ-BBWFWOEESA-N 2 1 353.463 -0.345 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001217595794 844657512 /nfs/dbraw/zinc/65/75/12/844657512.db2.gz RSFCRBRLHUTUEJ-GVDBMIGSSA-N 2 1 353.463 -0.345 20 0 FBADMP CN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001217595794 844657504 /nfs/dbraw/zinc/65/75/04/844657504.db2.gz RSFCRBRLHUTUEJ-GVDBMIGSSA-N 2 1 353.463 -0.345 20 0 FBADMP C[C@@H]1C[N@H+](CCc2nnc(CN3CCN(CC[NH3+])CC3)o2)C[C@H](C)O1 ZINC001217715157 844664643 /nfs/dbraw/zinc/66/46/43/844664643.db2.gz TZHUJOUOFCNAKF-GASCZTMLSA-N 2 1 352.483 -0.202 20 0 FBADMP C[C@@H]1C[N@@H+](CCc2nnc(CN3CCN(CC[NH3+])CC3)o2)C[C@H](C)O1 ZINC001217715157 844664636 /nfs/dbraw/zinc/66/46/36/844664636.db2.gz TZHUJOUOFCNAKF-GASCZTMLSA-N 2 1 352.483 -0.202 20 0 FBADMP C[C@H]1C[NH+](CCc2nnc(CN3CCN(CC[NH3+])CC3)o2)C[C@H](C)O1 ZINC001217715164 844665111 /nfs/dbraw/zinc/66/51/11/844665111.db2.gz TZHUJOUOFCNAKF-GJZGRUSLSA-N 2 1 352.483 -0.202 20 0 FBADMP C[C@@H]1C[NH+](CCc2nnc(CN3CCN(CC[NH3+])CC3)o2)C[C@@H](C)O1 ZINC001217715165 844665233 /nfs/dbraw/zinc/66/52/33/844665233.db2.gz TZHUJOUOFCNAKF-HUUCEWRRSA-N 2 1 352.483 -0.202 20 0 FBADMP C[C@H]1C[NH+](CCc2nnc(CN(CC[NH3+])S(C)(=O)=O)o2)C[C@H](C)O1 ZINC001217723925 844666238 /nfs/dbraw/zinc/66/62/38/844666238.db2.gz VSZZUDAHAUDWKY-RYUDHWBXSA-N 2 1 361.468 -0.558 20 0 FBADMP C[C@@H]1C[N@H+](CCc2nnc(CN(CC[NH3+])S(C)(=O)=O)o2)C[C@H](C)O1 ZINC001217723926 844666313 /nfs/dbraw/zinc/66/63/13/844666313.db2.gz VSZZUDAHAUDWKY-TXEJJXNPSA-N 2 1 361.468 -0.558 20 0 FBADMP C[C@@H]1C[N@@H+](CCc2nnc(CN(CC[NH3+])S(C)(=O)=O)o2)C[C@H](C)O1 ZINC001217723926 844666310 /nfs/dbraw/zinc/66/63/10/844666310.db2.gz VSZZUDAHAUDWKY-TXEJJXNPSA-N 2 1 361.468 -0.558 20 0 FBADMP C[C@@H]1C[NH+](CCc2nnc(CN(CC[NH3+])S(C)(=O)=O)o2)C[C@@H](C)O1 ZINC001217723928 844666339 /nfs/dbraw/zinc/66/63/39/844666339.db2.gz VSZZUDAHAUDWKY-VXGBXAGGSA-N 2 1 361.468 -0.558 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217861054 844674076 /nfs/dbraw/zinc/67/40/76/844674076.db2.gz KMEOJOJQBNRTDK-IXDOHACOSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217861054 844674075 /nfs/dbraw/zinc/67/40/75/844674075.db2.gz KMEOJOJQBNRTDK-IXDOHACOSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001217861054 844674072 /nfs/dbraw/zinc/67/40/72/844674072.db2.gz KMEOJOJQBNRTDK-IXDOHACOSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001217861054 844674068 /nfs/dbraw/zinc/67/40/68/844674068.db2.gz KMEOJOJQBNRTDK-IXDOHACOSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217861057 844673820 /nfs/dbraw/zinc/67/38/20/844673820.db2.gz KMEOJOJQBNRTDK-YESZJQIVSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217861057 844673815 /nfs/dbraw/zinc/67/38/15/844673815.db2.gz KMEOJOJQBNRTDK-YESZJQIVSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001217861057 844673810 /nfs/dbraw/zinc/67/38/10/844673810.db2.gz KMEOJOJQBNRTDK-YESZJQIVSA-N 2 1 355.479 -0.220 20 0 FBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001217861057 844673803 /nfs/dbraw/zinc/67/38/03/844673803.db2.gz KMEOJOJQBNRTDK-YESZJQIVSA-N 2 1 355.479 -0.220 20 0 FBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217915583 844677387 /nfs/dbraw/zinc/67/73/87/844677387.db2.gz QGROKQLJSWNIMP-IXDOHACOSA-N 2 1 353.463 -0.751 20 0 FBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217915583 844677383 /nfs/dbraw/zinc/67/73/83/844677383.db2.gz QGROKQLJSWNIMP-IXDOHACOSA-N 2 1 353.463 -0.751 20 0 FBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217915589 844677207 /nfs/dbraw/zinc/67/72/07/844677207.db2.gz QGROKQLJSWNIMP-YESZJQIVSA-N 2 1 353.463 -0.751 20 0 FBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217915589 844677198 /nfs/dbraw/zinc/67/71/98/844677198.db2.gz QGROKQLJSWNIMP-YESZJQIVSA-N 2 1 353.463 -0.751 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217932857 844678830 /nfs/dbraw/zinc/67/88/30/844678830.db2.gz OQDSKPREUIHPNB-WCXIOVBPSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217932857 844678827 /nfs/dbraw/zinc/67/88/27/844678827.db2.gz OQDSKPREUIHPNB-WCXIOVBPSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932857 844678823 /nfs/dbraw/zinc/67/88/23/844678823.db2.gz OQDSKPREUIHPNB-WCXIOVBPSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932857 844678821 /nfs/dbraw/zinc/67/88/21/844678821.db2.gz OQDSKPREUIHPNB-WCXIOVBPSA-N 2 1 355.479 -0.099 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CC[NH+]1C ZINC001217941343 844678776 /nfs/dbraw/zinc/67/87/76/844678776.db2.gz DOXCAROREWPNMO-VVLHAWIVSA-N 2 1 355.479 -0.363 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CC[NH+]1C ZINC001217941343 844678773 /nfs/dbraw/zinc/67/87/73/844678773.db2.gz DOXCAROREWPNMO-VVLHAWIVSA-N 2 1 355.479 -0.363 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)CC[N@H+]1C ZINC001217941343 844678770 /nfs/dbraw/zinc/67/87/70/844678770.db2.gz DOXCAROREWPNMO-VVLHAWIVSA-N 2 1 355.479 -0.363 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)CC[N@@H+]1C ZINC001217941343 844678766 /nfs/dbraw/zinc/67/87/66/844678766.db2.gz DOXCAROREWPNMO-VVLHAWIVSA-N 2 1 355.479 -0.363 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218036642 844684386 /nfs/dbraw/zinc/68/43/86/844684386.db2.gz AMTPZHQGVQOVJA-HRCADAONSA-N 2 1 361.458 -0.413 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218036642 844684378 /nfs/dbraw/zinc/68/43/78/844684378.db2.gz AMTPZHQGVQOVJA-HRCADAONSA-N 2 1 361.458 -0.413 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218036643 844683974 /nfs/dbraw/zinc/68/39/74/844683974.db2.gz AMTPZHQGVQOVJA-OWCLPIDISA-N 2 1 361.458 -0.413 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218036643 844683971 /nfs/dbraw/zinc/68/39/71/844683971.db2.gz AMTPZHQGVQOVJA-OWCLPIDISA-N 2 1 361.458 -0.413 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218075222 844687124 /nfs/dbraw/zinc/68/71/24/844687124.db2.gz UVDQECLCBFXECJ-UWVGGRQHSA-N 2 1 351.407 -0.413 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218081171 844687727 /nfs/dbraw/zinc/68/77/27/844687727.db2.gz MOVHNLOTLMHTPL-IVZWLZJFSA-N 2 1 352.391 -0.224 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218082368 844687961 /nfs/dbraw/zinc/68/79/61/844687961.db2.gz MOVHNLOTLMHTPL-OPRDCNLKSA-N 2 1 352.391 -0.224 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218105705 844689250 /nfs/dbraw/zinc/68/92/50/844689250.db2.gz UVDQECLCBFXECJ-VHSXEESVSA-N 2 1 351.407 -0.413 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]CC(=O)C1 ZINC001218190322 844697704 /nfs/dbraw/zinc/69/77/04/844697704.db2.gz FJGFNUWIVWSKGV-JTQLQIEISA-N 2 1 352.391 -0.539 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]CC(=O)C1 ZINC001218190323 844697749 /nfs/dbraw/zinc/69/77/49/844697749.db2.gz FJGFNUWIVWSKGV-SNVBAGLBSA-N 2 1 352.391 -0.539 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001218343540 844704826 /nfs/dbraw/zinc/70/48/26/844704826.db2.gz IAVMGIPVQOZOEV-JTQLQIEISA-N 2 1 354.407 -0.530 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001218343540 844704822 /nfs/dbraw/zinc/70/48/22/844704822.db2.gz IAVMGIPVQOZOEV-JTQLQIEISA-N 2 1 354.407 -0.530 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001218343545 844705430 /nfs/dbraw/zinc/70/54/30/844705430.db2.gz IAVMGIPVQOZOEV-SNVBAGLBSA-N 2 1 354.407 -0.530 20 0 FBADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001218343545 844705425 /nfs/dbraw/zinc/70/54/25/844705425.db2.gz IAVMGIPVQOZOEV-SNVBAGLBSA-N 2 1 354.407 -0.530 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CC[NH+]1C ZINC001218527602 844712422 /nfs/dbraw/zinc/71/24/22/844712422.db2.gz IHIPIHMPUMEARZ-LUKYLMHMSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CC[NH+]1C ZINC001218527602 844712411 /nfs/dbraw/zinc/71/24/11/844712411.db2.gz IHIPIHMPUMEARZ-LUKYLMHMSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)CC[N@H+]1C ZINC001218527602 844712402 /nfs/dbraw/zinc/71/24/02/844712402.db2.gz IHIPIHMPUMEARZ-LUKYLMHMSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)CC[N@@H+]1C ZINC001218527602 844712394 /nfs/dbraw/zinc/71/23/94/844712394.db2.gz IHIPIHMPUMEARZ-LUKYLMHMSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527655 844712836 /nfs/dbraw/zinc/71/28/36/844712836.db2.gz KFZYSFHBPPMIQI-QUSNUVHPSA-N 2 1 355.479 -0.364 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527655 844712833 /nfs/dbraw/zinc/71/28/33/844712833.db2.gz KFZYSFHBPPMIQI-QUSNUVHPSA-N 2 1 355.479 -0.364 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527655 844712829 /nfs/dbraw/zinc/71/28/29/844712829.db2.gz KFZYSFHBPPMIQI-QUSNUVHPSA-N 2 1 355.479 -0.364 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527656 844712197 /nfs/dbraw/zinc/71/21/97/844712197.db2.gz KFZYSFHBPPMIQI-ZOFXXKQRSA-N 2 1 355.479 -0.364 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527656 844712192 /nfs/dbraw/zinc/71/21/92/844712192.db2.gz KFZYSFHBPPMIQI-ZOFXXKQRSA-N 2 1 355.479 -0.364 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527656 844712184 /nfs/dbraw/zinc/71/21/84/844712184.db2.gz KFZYSFHBPPMIQI-ZOFXXKQRSA-N 2 1 355.479 -0.364 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001218550673 844713775 /nfs/dbraw/zinc/71/37/75/844713775.db2.gz JDWOKEKZBBYZOK-QLFBSQMISA-N 2 1 350.463 -0.482 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001218550674 844713966 /nfs/dbraw/zinc/71/39/66/844713966.db2.gz JDWOKEKZBBYZOK-SOUVJXGZSA-N 2 1 350.463 -0.482 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550686 844714099 /nfs/dbraw/zinc/71/40/99/844714099.db2.gz JMOOFEWLAQWOFW-JKSUJKDBSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550686 844714097 /nfs/dbraw/zinc/71/40/97/844714097.db2.gz JMOOFEWLAQWOFW-JKSUJKDBSA-N 2 1 355.479 -0.097 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)C1=O ZINC001218550728 844713219 /nfs/dbraw/zinc/71/32/19/844713219.db2.gz LGVDFNBSRKSTGI-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)C1=O ZINC001218550728 844713216 /nfs/dbraw/zinc/71/32/16/844713216.db2.gz LGVDFNBSRKSTGI-QLFBSQMISA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)C1=O ZINC001218550729 844713872 /nfs/dbraw/zinc/71/38/72/844713872.db2.gz LGVDFNBSRKSTGI-SOUVJXGZSA-N 2 1 350.463 -0.530 20 0 FBADMP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)C1=O ZINC001218550729 844713866 /nfs/dbraw/zinc/71/38/66/844713866.db2.gz LGVDFNBSRKSTGI-SOUVJXGZSA-N 2 1 350.463 -0.530 20 0 FBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001218551026 844713677 /nfs/dbraw/zinc/71/36/77/844713677.db2.gz ZXAVPEQNRFAHJH-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001218551026 844713672 /nfs/dbraw/zinc/71/36/72/844713672.db2.gz ZXAVPEQNRFAHJH-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218557703 844715180 /nfs/dbraw/zinc/71/51/80/844715180.db2.gz HYGLSOKTZAREOK-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218557704 844715195 /nfs/dbraw/zinc/71/51/95/844715195.db2.gz HYGLSOKTZAREOK-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001218558372 844714931 /nfs/dbraw/zinc/71/49/31/844714931.db2.gz ZJYFMOKCGVROHO-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001218558372 844714921 /nfs/dbraw/zinc/71/49/21/844714921.db2.gz ZJYFMOKCGVROHO-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575231 844716954 /nfs/dbraw/zinc/71/69/54/844716954.db2.gz FVBPNJZTNJQSIR-DLBZAZTESA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575231 844716948 /nfs/dbraw/zinc/71/69/48/844716948.db2.gz FVBPNJZTNJQSIR-DLBZAZTESA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]21 ZINC001218582141 844717500 /nfs/dbraw/zinc/71/75/00/844717500.db2.gz NICMCYTVBYVACM-HRCADAONSA-N 2 1 351.451 -0.893 20 0 FBADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]21 ZINC001218582143 844717211 /nfs/dbraw/zinc/71/72/11/844717211.db2.gz NICMCYTVBYVACM-OWCLPIDISA-N 2 1 351.451 -0.893 20 0 FBADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218582994 844716971 /nfs/dbraw/zinc/71/69/71/844716971.db2.gz WAQMJFZHNFUPMS-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218595275 844718609 /nfs/dbraw/zinc/71/86/09/844718609.db2.gz RVIABHHFFHPZCS-UHFFFAOYSA-N 2 1 367.435 -0.100 20 0 FBADMP CC(C)N1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600774 844718103 /nfs/dbraw/zinc/71/81/03/844718103.db2.gz NDXVFQAQNDXFLF-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600775 844717992 /nfs/dbraw/zinc/71/79/92/844717992.db2.gz NDXVFQAQNDXFLF-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600909 844718155 /nfs/dbraw/zinc/71/81/55/844718155.db2.gz SCLIMYVBXCXOHT-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600910 844718643 /nfs/dbraw/zinc/71/86/43/844718643.db2.gz SCLIMYVBXCXOHT-YESZJQIVSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218630401 844721516 /nfs/dbraw/zinc/72/15/16/844721516.db2.gz IVPICHGLMGSPIU-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218630401 844721509 /nfs/dbraw/zinc/72/15/09/844721509.db2.gz IVPICHGLMGSPIU-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218630401 844721498 /nfs/dbraw/zinc/72/14/98/844721498.db2.gz IVPICHGLMGSPIU-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218630401 844721492 /nfs/dbraw/zinc/72/14/92/844721492.db2.gz IVPICHGLMGSPIU-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218630402 844722090 /nfs/dbraw/zinc/72/20/90/844722090.db2.gz IVPICHGLMGSPIU-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218630402 844722088 /nfs/dbraw/zinc/72/20/88/844722088.db2.gz IVPICHGLMGSPIU-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218630402 844722086 /nfs/dbraw/zinc/72/20/86/844722086.db2.gz IVPICHGLMGSPIU-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218630402 844722084 /nfs/dbraw/zinc/72/20/84/844722084.db2.gz IVPICHGLMGSPIU-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001218638323 844721441 /nfs/dbraw/zinc/72/14/41/844721441.db2.gz FSJHDIOUZFNCAF-JKSUJKDBSA-N 2 1 355.479 -0.361 20 0 FBADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001218638323 844721434 /nfs/dbraw/zinc/72/14/34/844721434.db2.gz FSJHDIOUZFNCAF-JKSUJKDBSA-N 2 1 355.479 -0.361 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218638323 844721426 /nfs/dbraw/zinc/72/14/26/844721426.db2.gz FSJHDIOUZFNCAF-JKSUJKDBSA-N 2 1 355.479 -0.361 20 0 FBADMP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218638323 844721418 /nfs/dbraw/zinc/72/14/18/844721418.db2.gz FSJHDIOUZFNCAF-JKSUJKDBSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638520 844721985 /nfs/dbraw/zinc/72/19/85/844721985.db2.gz GVBXUQAWUBNJJZ-HRCADAONSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638520 844721982 /nfs/dbraw/zinc/72/19/82/844721982.db2.gz GVBXUQAWUBNJJZ-HRCADAONSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638520 844721978 /nfs/dbraw/zinc/72/19/78/844721978.db2.gz GVBXUQAWUBNJJZ-HRCADAONSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638520 844721972 /nfs/dbraw/zinc/72/19/72/844721972.db2.gz GVBXUQAWUBNJJZ-HRCADAONSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638521 844722560 /nfs/dbraw/zinc/72/25/60/844722560.db2.gz GVBXUQAWUBNJJZ-OWCLPIDISA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638521 844722556 /nfs/dbraw/zinc/72/25/56/844722556.db2.gz GVBXUQAWUBNJJZ-OWCLPIDISA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638521 844722550 /nfs/dbraw/zinc/72/25/50/844722550.db2.gz GVBXUQAWUBNJJZ-OWCLPIDISA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218638521 844722541 /nfs/dbraw/zinc/72/25/41/844722541.db2.gz GVBXUQAWUBNJJZ-OWCLPIDISA-N 2 1 355.479 -0.363 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645450 844723047 /nfs/dbraw/zinc/72/30/47/844723047.db2.gz GPZZRMGLMLKFQT-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645450 844723042 /nfs/dbraw/zinc/72/30/42/844723042.db2.gz GPZZRMGLMLKFQT-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645450 844723034 /nfs/dbraw/zinc/72/30/34/844723034.db2.gz GPZZRMGLMLKFQT-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645450 844723029 /nfs/dbraw/zinc/72/30/29/844723029.db2.gz GPZZRMGLMLKFQT-QLFBSQMISA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645453 844723128 /nfs/dbraw/zinc/72/31/28/844723128.db2.gz GPZZRMGLMLKFQT-SOUVJXGZSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645453 844723121 /nfs/dbraw/zinc/72/31/21/844723121.db2.gz GPZZRMGLMLKFQT-SOUVJXGZSA-N 2 1 352.479 -0.236 20 0 FBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645453 844723116 /nfs/dbraw/zinc/72/31/16/844723116.db2.gz GPZZRMGLMLKFQT-SOUVJXGZSA-N 2 1 352.479 -0.236 20 0 FBADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645453 844723115 /nfs/dbraw/zinc/72/31/15/844723115.db2.gz GPZZRMGLMLKFQT-SOUVJXGZSA-N 2 1 352.479 -0.236 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646627 844722795 /nfs/dbraw/zinc/72/27/95/844722795.db2.gz WSJOFNDFFGWJEW-HRCADAONSA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646627 844722789 /nfs/dbraw/zinc/72/27/89/844722789.db2.gz WSJOFNDFFGWJEW-HRCADAONSA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646627 844722786 /nfs/dbraw/zinc/72/27/86/844722786.db2.gz WSJOFNDFFGWJEW-HRCADAONSA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646627 844722780 /nfs/dbraw/zinc/72/27/80/844722780.db2.gz WSJOFNDFFGWJEW-HRCADAONSA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646628 844722996 /nfs/dbraw/zinc/72/29/96/844722996.db2.gz WSJOFNDFFGWJEW-OWCLPIDISA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646628 844722991 /nfs/dbraw/zinc/72/29/91/844722991.db2.gz WSJOFNDFFGWJEW-OWCLPIDISA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646628 844722988 /nfs/dbraw/zinc/72/29/88/844722988.db2.gz WSJOFNDFFGWJEW-OWCLPIDISA-N 2 1 357.495 -0.117 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646628 844722984 /nfs/dbraw/zinc/72/29/84/844722984.db2.gz WSJOFNDFFGWJEW-OWCLPIDISA-N 2 1 357.495 -0.117 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21)CC(C)(C)C ZINC001218646721 844723422 /nfs/dbraw/zinc/72/34/22/844723422.db2.gz ZTACUTUUZUPENJ-JKSUJKDBSA-N 2 1 357.495 -0.115 20 0 FBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21)CC(C)(C)C ZINC001218646721 844723415 /nfs/dbraw/zinc/72/34/15/844723415.db2.gz ZTACUTUUZUPENJ-JKSUJKDBSA-N 2 1 357.495 -0.115 20 0 FBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21)CC(C)(C)C ZINC001218646721 844723414 /nfs/dbraw/zinc/72/34/14/844723414.db2.gz ZTACUTUUZUPENJ-JKSUJKDBSA-N 2 1 357.495 -0.115 20 0 FBADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21)CC(C)(C)C ZINC001218646721 844723407 /nfs/dbraw/zinc/72/34/07/844723407.db2.gz ZTACUTUUZUPENJ-JKSUJKDBSA-N 2 1 357.495 -0.115 20 0 FBADMP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)[NH+]1CCCC1 ZINC001218651049 844722948 /nfs/dbraw/zinc/72/29/48/844722948.db2.gz SMQOMOQDVPLQPD-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)[NH+]1CCCC1 ZINC001218651051 844722651 /nfs/dbraw/zinc/72/26/51/844722651.db2.gz SMQOMOQDVPLQPD-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218661654 844724315 /nfs/dbraw/zinc/72/43/15/844724315.db2.gz OGCIGMYZHVRYNN-GFCCVEGCSA-N 2 1 355.464 -0.518 20 0 FBADMP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218661664 844724778 /nfs/dbraw/zinc/72/47/78/844724778.db2.gz OGCIGMYZHVRYNN-LBPRGKRZSA-N 2 1 355.464 -0.518 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722696 844730544 /nfs/dbraw/zinc/73/05/44/844730544.db2.gz FLWLYAWQBMBBDY-IXDOHACOSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722698 844730646 /nfs/dbraw/zinc/73/06/46/844730646.db2.gz FLWLYAWQBMBBDY-YESZJQIVSA-N 2 1 355.479 -0.363 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218723657 844730528 /nfs/dbraw/zinc/73/05/28/844730528.db2.gz WTFSWWBZNJHMJU-DLBZAZTESA-N 2 1 355.479 -0.361 20 0 FBADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218723657 844730522 /nfs/dbraw/zinc/73/05/22/844730522.db2.gz WTFSWWBZNJHMJU-DLBZAZTESA-N 2 1 355.479 -0.361 20 0 FBADMP CN(C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001218743048 844731642 /nfs/dbraw/zinc/73/16/42/844731642.db2.gz MRYJMARTVDOUQO-RYUDHWBXSA-N 2 1 351.455 -0.139 20 0 FBADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c2C1 ZINC001218755042 844732653 /nfs/dbraw/zinc/73/26/53/844732653.db2.gz YSVYEYFBQABSNN-CABZTGNLSA-N 2 1 369.491 -0.139 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2CSC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776983 844735982 /nfs/dbraw/zinc/73/59/82/844735982.db2.gz HPIDHPNFTMOOQO-GUBZILKMSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2CSC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776994 844735396 /nfs/dbraw/zinc/73/53/96/844735396.db2.gz HPIDHPNFTMOOQO-KXUCPTDWSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2CSC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776995 844735758 /nfs/dbraw/zinc/73/57/58/844735758.db2.gz HPIDHPNFTMOOQO-LPEHRKFASA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2CSC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776997 844735373 /nfs/dbraw/zinc/73/53/73/844735373.db2.gz HPIDHPNFTMOOQO-UTLUCORTSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2[NH2+]CCS2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778652 844735462 /nfs/dbraw/zinc/73/54/62/844735462.db2.gz USALEHJULQEBTD-IGJMFERPSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2[NH2+]CCS2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778654 844735965 /nfs/dbraw/zinc/73/59/65/844735965.db2.gz USALEHJULQEBTD-JRKPZEMJSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2[NH2+]CCS2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778655 844735614 /nfs/dbraw/zinc/73/56/14/844735614.db2.gz USALEHJULQEBTD-MWODSPESSA-N 2 1 372.882 -0.708 20 0 FBADMP Nc1ncn(C(=O)[C@@H]2[NH2+]CCS2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778656 844735865 /nfs/dbraw/zinc/73/58/65/844735865.db2.gz USALEHJULQEBTD-VYUIOLGVSA-N 2 1 372.882 -0.708 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789586 844736938 /nfs/dbraw/zinc/73/69/38/844736938.db2.gz NLZPHVMTIQATHJ-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789586 844736935 /nfs/dbraw/zinc/73/69/35/844736935.db2.gz NLZPHVMTIQATHJ-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789588 844736599 /nfs/dbraw/zinc/73/65/99/844736599.db2.gz NLZPHVMTIQATHJ-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789588 844736594 /nfs/dbraw/zinc/73/65/94/844736594.db2.gz NLZPHVMTIQATHJ-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218789604 844736450 /nfs/dbraw/zinc/73/64/50/844736450.db2.gz NXYZHGNGXNCTSD-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218789604 844736442 /nfs/dbraw/zinc/73/64/42/844736442.db2.gz NXYZHGNGXNCTSD-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789974 844736973 /nfs/dbraw/zinc/73/69/73/844736973.db2.gz ZIPBPIXRJUYATE-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789974 844736969 /nfs/dbraw/zinc/73/69/69/844736969.db2.gz ZIPBPIXRJUYATE-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789975 844736563 /nfs/dbraw/zinc/73/65/63/844736563.db2.gz ZIPBPIXRJUYATE-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789975 844736555 /nfs/dbraw/zinc/73/65/55/844736555.db2.gz ZIPBPIXRJUYATE-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218813840 844738740 /nfs/dbraw/zinc/73/87/40/844738740.db2.gz GICYPEDBGCMVCJ-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218813841 844738500 /nfs/dbraw/zinc/73/85/00/844738500.db2.gz GICYPEDBGCMVCJ-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218813999 844738953 /nfs/dbraw/zinc/73/89/53/844738953.db2.gz KTKJCHJNQJGYPB-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218813999 844738944 /nfs/dbraw/zinc/73/89/44/844738944.db2.gz KTKJCHJNQJGYPB-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218814000 844738894 /nfs/dbraw/zinc/73/88/94/844738894.db2.gz KTKJCHJNQJGYPB-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218814000 844738885 /nfs/dbraw/zinc/73/88/85/844738885.db2.gz KTKJCHJNQJGYPB-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218819416 844740110 /nfs/dbraw/zinc/74/01/10/844740110.db2.gz CNDZNWLYUNTEGV-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218819417 844739838 /nfs/dbraw/zinc/73/98/38/844739838.db2.gz CNDZNWLYUNTEGV-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218826092 844739513 /nfs/dbraw/zinc/73/95/13/844739513.db2.gz BVNSXMORUYXQEJ-DLBZAZTESA-N 2 1 355.479 -0.361 20 0 FBADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218826092 844739508 /nfs/dbraw/zinc/73/95/08/844739508.db2.gz BVNSXMORUYXQEJ-DLBZAZTESA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826130 844739999 /nfs/dbraw/zinc/73/99/99/844739999.db2.gz DOGULUUUXSOEDW-IXDOHACOSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826130 844739996 /nfs/dbraw/zinc/73/99/96/844739996.db2.gz DOGULUUUXSOEDW-IXDOHACOSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826131 844739965 /nfs/dbraw/zinc/73/99/65/844739965.db2.gz DOGULUUUXSOEDW-YESZJQIVSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826131 844739962 /nfs/dbraw/zinc/73/99/62/844739962.db2.gz DOGULUUUXSOEDW-YESZJQIVSA-N 2 1 355.479 -0.363 20 0 FBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218872843 844742339 /nfs/dbraw/zinc/74/23/39/844742339.db2.gz BVPCIJIGDBILNQ-INIZCTEOSA-N 2 1 367.519 -0.241 20 0 FBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874257 844742437 /nfs/dbraw/zinc/74/24/37/844742437.db2.gz RMRQURGSSUHCSQ-INIZCTEOSA-N 2 1 350.419 -0.370 20 0 FBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218882028 844744005 /nfs/dbraw/zinc/74/40/05/844744005.db2.gz KXSWJTSEFWIXBD-ZDUSSCGKSA-N 2 1 351.476 -0.310 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001218905887 844745938 /nfs/dbraw/zinc/74/59/38/844745938.db2.gz ZXKCWEFSLAZACU-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001218905887 844745933 /nfs/dbraw/zinc/74/59/33/844745933.db2.gz ZXKCWEFSLAZACU-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001218905887 844745926 /nfs/dbraw/zinc/74/59/26/844745926.db2.gz ZXKCWEFSLAZACU-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001218905887 844745921 /nfs/dbraw/zinc/74/59/21/844745921.db2.gz ZXKCWEFSLAZACU-JKSUJKDBSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918601 844746233 /nfs/dbraw/zinc/74/62/33/844746233.db2.gz HLQJGPCBKDFWGG-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918601 844746221 /nfs/dbraw/zinc/74/62/21/844746221.db2.gz HLQJGPCBKDFWGG-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918601 844746210 /nfs/dbraw/zinc/74/62/10/844746210.db2.gz HLQJGPCBKDFWGG-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918602 844746697 /nfs/dbraw/zinc/74/66/97/844746697.db2.gz HLQJGPCBKDFWGG-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918602 844746696 /nfs/dbraw/zinc/74/66/96/844746696.db2.gz HLQJGPCBKDFWGG-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918602 844746695 /nfs/dbraw/zinc/74/66/95/844746695.db2.gz HLQJGPCBKDFWGG-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@@H+](C)CC)[C@H]3C2)C1=O ZINC001218919569 844747430 /nfs/dbraw/zinc/74/74/30/844747430.db2.gz TTXZHHIGWYDLGF-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@H+](C)CC)[C@H]3C2)C1=O ZINC001218919569 844747421 /nfs/dbraw/zinc/74/74/21/844747421.db2.gz TTXZHHIGWYDLGF-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919569 844747410 /nfs/dbraw/zinc/74/74/10/844747410.db2.gz TTXZHHIGWYDLGF-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@@H+](C)CC)[C@H]3C2)C1=O ZINC001218919570 844747074 /nfs/dbraw/zinc/74/70/74/844747074.db2.gz TTXZHHIGWYDLGF-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@H+](C)CC)[C@H]3C2)C1=O ZINC001218919570 844747065 /nfs/dbraw/zinc/74/70/65/844747065.db2.gz TTXZHHIGWYDLGF-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919570 844747055 /nfs/dbraw/zinc/74/70/55/844747055.db2.gz TTXZHHIGWYDLGF-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919571 844747974 /nfs/dbraw/zinc/74/79/74/844747974.db2.gz TWIHVFOVFACCSQ-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919571 844747973 /nfs/dbraw/zinc/74/79/73/844747973.db2.gz TWIHVFOVFACCSQ-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919571 844747971 /nfs/dbraw/zinc/74/79/71/844747971.db2.gz TWIHVFOVFACCSQ-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919572 844747109 /nfs/dbraw/zinc/74/71/09/844747109.db2.gz TWIHVFOVFACCSQ-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919572 844747105 /nfs/dbraw/zinc/74/71/05/844747105.db2.gz TWIHVFOVFACCSQ-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919572 844747098 /nfs/dbraw/zinc/74/70/98/844747098.db2.gz TWIHVFOVFACCSQ-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001218919796 844747900 /nfs/dbraw/zinc/74/79/00/844747900.db2.gz ZGYYFWQPCASWTG-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001218919796 844747894 /nfs/dbraw/zinc/74/78/94/844747894.db2.gz ZGYYFWQPCASWTG-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]21 ZINC001218919796 844747889 /nfs/dbraw/zinc/74/78/89/844747889.db2.gz ZGYYFWQPCASWTG-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]21 ZINC001218919796 844747886 /nfs/dbraw/zinc/74/78/86/844747886.db2.gz ZGYYFWQPCASWTG-LSDHHAIUSA-N 2 1 353.467 -0.735 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001218965461 844750871 /nfs/dbraw/zinc/75/08/71/844750871.db2.gz LJPOLXWPETWHSS-DLBZAZTESA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965526 844751352 /nfs/dbraw/zinc/75/13/52/844751352.db2.gz MXXOALNZXXKEOM-JKSUJKDBSA-N 2 1 353.463 -0.343 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965526 844751341 /nfs/dbraw/zinc/75/13/41/844751341.db2.gz MXXOALNZXXKEOM-JKSUJKDBSA-N 2 1 353.463 -0.343 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218965530 844750821 /nfs/dbraw/zinc/75/08/21/844750821.db2.gz NAMZLJFBYIMBGB-DLBZAZTESA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218965530 844750813 /nfs/dbraw/zinc/75/08/13/844750813.db2.gz NAMZLJFBYIMBGB-DLBZAZTESA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001218965678 844751395 /nfs/dbraw/zinc/75/13/95/844751395.db2.gz PTQDCFQMBCWKOZ-JKSUJKDBSA-N 2 1 351.451 -0.627 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001218965678 844751388 /nfs/dbraw/zinc/75/13/88/844751388.db2.gz PTQDCFQMBCWKOZ-JKSUJKDBSA-N 2 1 351.451 -0.627 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218966351 844751014 /nfs/dbraw/zinc/75/10/14/844751014.db2.gz ZFGWNQUWVOUOOA-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218966351 844751010 /nfs/dbraw/zinc/75/10/10/844751010.db2.gz ZFGWNQUWVOUOOA-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966351 844751006 /nfs/dbraw/zinc/75/10/06/844751006.db2.gz ZFGWNQUWVOUOOA-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966351 844751003 /nfs/dbraw/zinc/75/10/03/844751003.db2.gz ZFGWNQUWVOUOOA-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218966352 844751240 /nfs/dbraw/zinc/75/12/40/844751240.db2.gz ZFGWNQUWVOUOOA-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218966352 844751233 /nfs/dbraw/zinc/75/12/33/844751233.db2.gz ZFGWNQUWVOUOOA-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966352 844751224 /nfs/dbraw/zinc/75/12/24/844751224.db2.gz ZFGWNQUWVOUOOA-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966352 844751221 /nfs/dbraw/zinc/75/12/21/844751221.db2.gz ZFGWNQUWVOUOOA-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001218970205 844752031 /nfs/dbraw/zinc/75/20/31/844752031.db2.gz GQYKLJSJNKMYQO-UONOGXRCSA-N 2 1 365.421 -0.242 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001218970205 844752027 /nfs/dbraw/zinc/75/20/27/844752027.db2.gz GQYKLJSJNKMYQO-UONOGXRCSA-N 2 1 365.421 -0.242 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001218970599 844752346 /nfs/dbraw/zinc/75/23/46/844752346.db2.gz LPWUPNWYXKRQHB-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001218970600 844752203 /nfs/dbraw/zinc/75/22/03/844752203.db2.gz LPWUPNWYXKRQHB-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970603 844752605 /nfs/dbraw/zinc/75/26/05/844752605.db2.gz LRECUPYDLJVMRB-JKSUJKDBSA-N 2 1 359.467 -0.861 20 0 FBADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970603 844752597 /nfs/dbraw/zinc/75/25/97/844752597.db2.gz LRECUPYDLJVMRB-JKSUJKDBSA-N 2 1 359.467 -0.861 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001218971173 844752427 /nfs/dbraw/zinc/75/24/27/844752427.db2.gz STHNAADUGCWYIB-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001218971175 844752012 /nfs/dbraw/zinc/75/20/12/844752012.db2.gz STHNAADUGCWYIB-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219001140 844753816 /nfs/dbraw/zinc/75/38/16/844753816.db2.gz PRLRMXMHYBTRLM-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219001141 844753491 /nfs/dbraw/zinc/75/34/91/844753491.db2.gz PRLRMXMHYBTRLM-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219002855 844755179 /nfs/dbraw/zinc/75/51/79/844755179.db2.gz GUAWFTZODARZNE-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219002855 844755171 /nfs/dbraw/zinc/75/51/71/844755171.db2.gz GUAWFTZODARZNE-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219002855 844755164 /nfs/dbraw/zinc/75/51/64/844755164.db2.gz GUAWFTZODARZNE-HRCADAONSA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219002856 844754962 /nfs/dbraw/zinc/75/49/62/844754962.db2.gz GUAWFTZODARZNE-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219002856 844754959 /nfs/dbraw/zinc/75/49/59/844754959.db2.gz GUAWFTZODARZNE-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219002856 844754955 /nfs/dbraw/zinc/75/49/55/844754955.db2.gz GUAWFTZODARZNE-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219002932 844755142 /nfs/dbraw/zinc/75/51/42/844755142.db2.gz JYNMTWVSTPTODN-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219002933 844754421 /nfs/dbraw/zinc/75/44/21/844754421.db2.gz JYNMTWVSTPTODN-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001219003058 844755069 /nfs/dbraw/zinc/75/50/69/844755069.db2.gz RAWWZUIEUHYLKP-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001219003058 844755064 /nfs/dbraw/zinc/75/50/64/844755064.db2.gz RAWWZUIEUHYLKP-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001219004474 844754320 /nfs/dbraw/zinc/75/43/20/844754320.db2.gz LGUZDGFEOQIRNH-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001219004474 844754313 /nfs/dbraw/zinc/75/43/13/844754313.db2.gz LGUZDGFEOQIRNH-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001219004474 844754303 /nfs/dbraw/zinc/75/43/03/844754303.db2.gz LGUZDGFEOQIRNH-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001219004474 844754284 /nfs/dbraw/zinc/75/42/84/844754284.db2.gz LGUZDGFEOQIRNH-JKSUJKDBSA-N 2 1 350.467 -0.078 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004782 844754800 /nfs/dbraw/zinc/75/48/00/844754800.db2.gz UIQQYWWZDWFPSP-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004782 844754796 /nfs/dbraw/zinc/75/47/96/844754796.db2.gz UIQQYWWZDWFPSP-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004782 844754790 /nfs/dbraw/zinc/75/47/90/844754790.db2.gz UIQQYWWZDWFPSP-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004783 844754997 /nfs/dbraw/zinc/75/49/97/844754997.db2.gz UIQQYWWZDWFPSP-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004783 844754996 /nfs/dbraw/zinc/75/49/96/844754996.db2.gz UIQQYWWZDWFPSP-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004783 844754988 /nfs/dbraw/zinc/75/49/88/844754988.db2.gz UIQQYWWZDWFPSP-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006238 844755104 /nfs/dbraw/zinc/75/51/04/844755104.db2.gz DBTYDCQNAYRVJE-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006238 844755098 /nfs/dbraw/zinc/75/50/98/844755098.db2.gz DBTYDCQNAYRVJE-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006238 844755093 /nfs/dbraw/zinc/75/50/93/844755093.db2.gz DBTYDCQNAYRVJE-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006239 844754919 /nfs/dbraw/zinc/75/49/19/844754919.db2.gz DBTYDCQNAYRVJE-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006239 844754915 /nfs/dbraw/zinc/75/49/15/844754915.db2.gz DBTYDCQNAYRVJE-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006239 844754908 /nfs/dbraw/zinc/75/49/08/844754908.db2.gz DBTYDCQNAYRVJE-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006625 844755049 /nfs/dbraw/zinc/75/50/49/844755049.db2.gz PNALBSFJHJHUNK-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006625 844755044 /nfs/dbraw/zinc/75/50/44/844755044.db2.gz PNALBSFJHJHUNK-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006625 844755035 /nfs/dbraw/zinc/75/50/35/844755035.db2.gz PNALBSFJHJHUNK-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006625 844755029 /nfs/dbraw/zinc/75/50/29/844755029.db2.gz PNALBSFJHJHUNK-HZSPNIEDSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006626 844754896 /nfs/dbraw/zinc/75/48/96/844754896.db2.gz PNALBSFJHJHUNK-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006626 844754891 /nfs/dbraw/zinc/75/48/91/844754891.db2.gz PNALBSFJHJHUNK-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006626 844754887 /nfs/dbraw/zinc/75/48/87/844754887.db2.gz PNALBSFJHJHUNK-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219006626 844754881 /nfs/dbraw/zinc/75/48/81/844754881.db2.gz PNALBSFJHJHUNK-MELADBBJSA-N 2 1 352.435 -0.955 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006816 844754854 /nfs/dbraw/zinc/75/48/54/844754854.db2.gz ZKRIGDHHDFPJMV-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006816 844754851 /nfs/dbraw/zinc/75/48/51/844754851.db2.gz ZKRIGDHHDFPJMV-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006816 844754847 /nfs/dbraw/zinc/75/48/47/844754847.db2.gz ZKRIGDHHDFPJMV-HRCADAONSA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006817 844754230 /nfs/dbraw/zinc/75/42/30/844754230.db2.gz ZKRIGDHHDFPJMV-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006817 844754221 /nfs/dbraw/zinc/75/42/21/844754221.db2.gz ZKRIGDHHDFPJMV-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006817 844754214 /nfs/dbraw/zinc/75/42/14/844754214.db2.gz ZKRIGDHHDFPJMV-OWCLPIDISA-N 2 1 352.479 -0.139 20 0 FBADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033167 844761217 /nfs/dbraw/zinc/76/12/17/844761217.db2.gz AWERLUBXAUSWDX-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033167 844761214 /nfs/dbraw/zinc/76/12/14/844761214.db2.gz AWERLUBXAUSWDX-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033168 844760944 /nfs/dbraw/zinc/76/09/44/844760944.db2.gz AWERLUBXAUSWDX-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033168 844760934 /nfs/dbraw/zinc/76/09/34/844760934.db2.gz AWERLUBXAUSWDX-YESZJQIVSA-N 2 1 355.479 -0.097 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219049521 844766503 /nfs/dbraw/zinc/76/65/03/844766503.db2.gz RICRSVSYJMJULT-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219049521 844766497 /nfs/dbraw/zinc/76/64/97/844766497.db2.gz RICRSVSYJMJULT-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049632 844766743 /nfs/dbraw/zinc/76/67/43/844766743.db2.gz SHCGPJABQGMLDI-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049635 844765863 /nfs/dbraw/zinc/76/58/63/844765863.db2.gz SHCGPJABQGMLDI-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052037 844766122 /nfs/dbraw/zinc/76/61/22/844766122.db2.gz BFFPKVYSWULPTG-IXDOHACOSA-N 2 1 355.479 -0.219 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052038 844766200 /nfs/dbraw/zinc/76/62/00/844766200.db2.gz BFFPKVYSWULPTG-YESZJQIVSA-N 2 1 355.479 -0.219 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219052201 844766034 /nfs/dbraw/zinc/76/60/34/844766034.db2.gz LDJWKFMHXYLIRC-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219052201 844766028 /nfs/dbraw/zinc/76/60/28/844766028.db2.gz LDJWKFMHXYLIRC-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219052202 844765892 /nfs/dbraw/zinc/76/58/92/844765892.db2.gz LDJWKFMHXYLIRC-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219052202 844765886 /nfs/dbraw/zinc/76/58/86/844765886.db2.gz LDJWKFMHXYLIRC-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219052250 844766430 /nfs/dbraw/zinc/76/64/30/844766430.db2.gz OOPCSVNBZUDJIK-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219052250 844766425 /nfs/dbraw/zinc/76/64/25/844766425.db2.gz OOPCSVNBZUDJIK-DLBZAZTESA-N 2 1 355.479 -0.217 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054988 844768198 /nfs/dbraw/zinc/76/81/98/844768198.db2.gz RDFZJDFZJSTTBB-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054988 844768193 /nfs/dbraw/zinc/76/81/93/844768193.db2.gz RDFZJDFZJSTTBB-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054988 844768187 /nfs/dbraw/zinc/76/81/87/844768187.db2.gz RDFZJDFZJSTTBB-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054989 844768261 /nfs/dbraw/zinc/76/82/61/844768261.db2.gz RDFZJDFZJSTTBB-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054989 844768255 /nfs/dbraw/zinc/76/82/55/844768255.db2.gz RDFZJDFZJSTTBB-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054989 844768252 /nfs/dbraw/zinc/76/82/52/844768252.db2.gz RDFZJDFZJSTTBB-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054995 844768142 /nfs/dbraw/zinc/76/81/42/844768142.db2.gz RGPHSCKSISBTBK-HZSPNIEDSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054995 844768136 /nfs/dbraw/zinc/76/81/36/844768136.db2.gz RGPHSCKSISBTBK-HZSPNIEDSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054995 844768127 /nfs/dbraw/zinc/76/81/27/844768127.db2.gz RGPHSCKSISBTBK-HZSPNIEDSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054995 844768122 /nfs/dbraw/zinc/76/81/22/844768122.db2.gz RGPHSCKSISBTBK-HZSPNIEDSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054996 844768845 /nfs/dbraw/zinc/76/88/45/844768845.db2.gz RGPHSCKSISBTBK-MELADBBJSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054996 844768840 /nfs/dbraw/zinc/76/88/40/844768840.db2.gz RGPHSCKSISBTBK-MELADBBJSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054996 844768834 /nfs/dbraw/zinc/76/88/34/844768834.db2.gz RGPHSCKSISBTBK-MELADBBJSA-N 2 1 352.435 -0.957 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001219054996 844768829 /nfs/dbraw/zinc/76/88/29/844768829.db2.gz RGPHSCKSISBTBK-MELADBBJSA-N 2 1 352.435 -0.957 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055043 844768919 /nfs/dbraw/zinc/76/89/19/844768919.db2.gz TYJLRKQEYGDDQA-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055043 844768918 /nfs/dbraw/zinc/76/89/18/844768918.db2.gz TYJLRKQEYGDDQA-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055043 844768913 /nfs/dbraw/zinc/76/89/13/844768913.db2.gz TYJLRKQEYGDDQA-HRCADAONSA-N 2 1 352.479 -0.141 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055044 844768515 /nfs/dbraw/zinc/76/85/15/844768515.db2.gz TYJLRKQEYGDDQA-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055044 844768510 /nfs/dbraw/zinc/76/85/10/844768510.db2.gz TYJLRKQEYGDDQA-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055044 844768506 /nfs/dbraw/zinc/76/85/06/844768506.db2.gz TYJLRKQEYGDDQA-OWCLPIDISA-N 2 1 352.479 -0.141 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357861 844846801 /nfs/dbraw/zinc/84/68/01/844846801.db2.gz NTAFBEZNGDCLPD-OAGGEKHMSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357861 844846795 /nfs/dbraw/zinc/84/67/95/844846795.db2.gz NTAFBEZNGDCLPD-OAGGEKHMSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357861 844846785 /nfs/dbraw/zinc/84/67/85/844846785.db2.gz NTAFBEZNGDCLPD-OAGGEKHMSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357861 844846776 /nfs/dbraw/zinc/84/67/76/844846776.db2.gz NTAFBEZNGDCLPD-OAGGEKHMSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357862 844847097 /nfs/dbraw/zinc/84/70/97/844847097.db2.gz NTAFBEZNGDCLPD-PMPSAXMXSA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357862 844847090 /nfs/dbraw/zinc/84/70/90/844847090.db2.gz NTAFBEZNGDCLPD-PMPSAXMXSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357862 844847085 /nfs/dbraw/zinc/84/70/85/844847085.db2.gz NTAFBEZNGDCLPD-PMPSAXMXSA-N 2 1 350.467 -0.296 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219357862 844847079 /nfs/dbraw/zinc/84/70/79/844847079.db2.gz NTAFBEZNGDCLPD-PMPSAXMXSA-N 2 1 350.467 -0.296 20 0 FBADMP CN1C[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609915 844927151 /nfs/dbraw/zinc/92/71/51/844927151.db2.gz HZSLGCGDLAJUPM-BXUZGUMPSA-N 2 1 350.385 -0.150 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609915 844927144 /nfs/dbraw/zinc/92/71/44/844927144.db2.gz HZSLGCGDLAJUPM-BXUZGUMPSA-N 3 1 350.385 -0.150 20 0 FBADMP CN1C[C@@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609916 844927269 /nfs/dbraw/zinc/92/72/69/844927269.db2.gz HZSLGCGDLAJUPM-FZMZJTMJSA-N 2 1 350.385 -0.150 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609916 844927265 /nfs/dbraw/zinc/92/72/65/844927265.db2.gz HZSLGCGDLAJUPM-FZMZJTMJSA-N 3 1 350.385 -0.150 20 0 FBADMP CN1C[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609917 844927249 /nfs/dbraw/zinc/92/72/49/844927249.db2.gz HZSLGCGDLAJUPM-RISCZKNCSA-N 2 1 350.385 -0.150 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609917 844927245 /nfs/dbraw/zinc/92/72/45/844927245.db2.gz HZSLGCGDLAJUPM-RISCZKNCSA-N 3 1 350.385 -0.150 20 0 FBADMP CN1C[C@@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609918 844927207 /nfs/dbraw/zinc/92/72/07/844927207.db2.gz HZSLGCGDLAJUPM-SMDDNHRTSA-N 2 1 350.385 -0.150 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609918 844927202 /nfs/dbraw/zinc/92/72/02/844927202.db2.gz HZSLGCGDLAJUPM-SMDDNHRTSA-N 3 1 350.385 -0.150 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219616031 844931066 /nfs/dbraw/zinc/93/10/66/844931066.db2.gz MQYMAFBJNPFENM-KYHPRHEASA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219616031 844931063 /nfs/dbraw/zinc/93/10/63/844931063.db2.gz MQYMAFBJNPFENM-KYHPRHEASA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219616032 844931136 /nfs/dbraw/zinc/93/11/36/844931136.db2.gz MQYMAFBJNPFENM-LISAXSMJSA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219616032 844931134 /nfs/dbraw/zinc/93/11/34/844931134.db2.gz MQYMAFBJNPFENM-LISAXSMJSA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219616033 844930722 /nfs/dbraw/zinc/93/07/22/844930722.db2.gz MQYMAFBJNPFENM-MUQADHOPSA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219616033 844930716 /nfs/dbraw/zinc/93/07/16/844930716.db2.gz MQYMAFBJNPFENM-MUQADHOPSA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219616034 844930837 /nfs/dbraw/zinc/93/08/37/844930837.db2.gz MQYMAFBJNPFENM-NBOOPKSLSA-N 2 1 351.422 -0.200 20 0 FBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219616034 844930832 /nfs/dbraw/zinc/93/08/32/844930832.db2.gz MQYMAFBJNPFENM-NBOOPKSLSA-N 2 1 351.422 -0.200 20 0 FBADMP C[NH+]1CCN(c2cnccc2C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219624330 844935649 /nfs/dbraw/zinc/93/56/49/844935649.db2.gz HMRUUBHMDAMBMZ-DOTOQJQBSA-N 2 1 351.426 -0.374 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652112 844944530 /nfs/dbraw/zinc/94/45/30/844944530.db2.gz AQJLCZMHGLKWJK-BMFZPTHFSA-N 2 1 353.467 -0.619 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652113 844944514 /nfs/dbraw/zinc/94/45/14/844944514.db2.gz AQJLCZMHGLKWJK-IMJJTQAJSA-N 2 1 353.467 -0.619 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652283 844944371 /nfs/dbraw/zinc/94/43/71/844944371.db2.gz MZAWRLURBKJZID-CVEARBPZSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652283 844944363 /nfs/dbraw/zinc/94/43/63/844944363.db2.gz MZAWRLURBKJZID-CVEARBPZSA-N 2 1 353.467 -0.355 20 0 FBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652329 844944705 /nfs/dbraw/zinc/94/47/05/844944705.db2.gz SELGXVKXLJGKBY-CVEARBPZSA-N 2 1 353.467 -0.354 20 0 FBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652356 844944687 /nfs/dbraw/zinc/94/46/87/844944687.db2.gz USNFFLJRKLSYLU-CVEARBPZSA-N 2 1 353.467 -0.354 20 0 FBADMP C[NH2+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H](C)OC(C)(C)C ZINC001219676162 844951504 /nfs/dbraw/zinc/95/15/04/844951504.db2.gz ATEZXWDIBPJUCT-OLZOCXBDSA-N 2 1 364.512 -0.871 20 0 FBADMP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676340 844952301 /nfs/dbraw/zinc/95/23/01/844952301.db2.gz GOZOISNWHUJBOS-INIZCTEOSA-N 2 1 366.487 -0.558 20 0 FBADMP C[NH2+][C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676343 844951718 /nfs/dbraw/zinc/95/17/18/844951718.db2.gz GROGGWQEOFRECD-OAHLLOKOSA-N 2 1 354.476 -0.832 20 0 FBADMP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676354 844952351 /nfs/dbraw/zinc/95/23/51/844952351.db2.gz HDRAQNOLLHLNLK-UHFFFAOYSA-N 2 1 366.487 -0.774 20 0 FBADMP [NH3+][C@H](Cc1ccccc1F)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676366 844952101 /nfs/dbraw/zinc/95/21/01/844952101.db2.gz HRVKLKKLDQQMQH-CQSZACIVSA-N 2 1 358.439 -0.953 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219676426 844952121 /nfs/dbraw/zinc/95/21/21/844952121.db2.gz KATZYNXWTMJPHW-GHMZBOCLSA-N 2 1 372.413 -0.732 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219676427 844952153 /nfs/dbraw/zinc/95/21/53/844952153.db2.gz KATZYNXWTMJPHW-MNOVXSKESA-N 2 1 372.413 -0.732 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219676428 844951632 /nfs/dbraw/zinc/95/16/32/844951632.db2.gz KATZYNXWTMJPHW-QWRGUYRKSA-N 2 1 372.413 -0.732 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219676429 844951405 /nfs/dbraw/zinc/95/14/05/844951405.db2.gz KATZYNXWTMJPHW-WDEREUQCSA-N 2 1 372.413 -0.732 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219676540 844952242 /nfs/dbraw/zinc/95/22/42/844952242.db2.gz ODQKYWJCLSLHSV-CABCVRRESA-N 2 1 367.475 -0.917 20 0 FBADMP [NH3+][C@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC001219676683 844951948 /nfs/dbraw/zinc/95/19/48/844951948.db2.gz SUDRRXCVICZOMY-LBPRGKRZSA-N 2 1 360.505 -0.641 20 0 FBADMP Cc1ccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c(C)c1 ZINC001219676687 844952259 /nfs/dbraw/zinc/95/22/59/844952259.db2.gz SWVOQPNDZVXRCP-INIZCTEOSA-N 2 1 368.503 -0.476 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219676706 844952340 /nfs/dbraw/zinc/95/23/40/844952340.db2.gz UGYSWCULWQSYNG-CVEARBPZSA-N 2 1 366.487 -0.312 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219676844 844952795 /nfs/dbraw/zinc/95/27/95/844952795.db2.gz XVMRLRYOJKLNBT-AWEZNQCLSA-N 2 1 358.508 -0.493 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219676848 844952702 /nfs/dbraw/zinc/95/27/02/844952702.db2.gz XVMRLRYOJKLNBT-CQSZACIVSA-N 2 1 358.508 -0.493 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219676930 844952669 /nfs/dbraw/zinc/95/26/69/844952669.db2.gz ZKPMIQFISPYLKU-MNOVXSKESA-N 2 1 372.413 -0.732 20 0 FBADMP [NH3+]CCc1ccc(CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219678055 844953585 /nfs/dbraw/zinc/95/35/85/844953585.db2.gz AOQCKMHRDSSVBI-UHFFFAOYSA-N 2 1 354.476 -0.919 20 0 FBADMP [NH3+][C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCc2ccccc21 ZINC001219678169 844953089 /nfs/dbraw/zinc/95/30/89/844953089.db2.gz GBNHGIAINMAUSI-MRXNPFEDSA-N 2 1 352.460 -0.862 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001219678223 844953052 /nfs/dbraw/zinc/95/30/52/844953052.db2.gz HWCGOOOWLPENEZ-LLVKDONJSA-N 2 1 373.504 -0.468 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001219678224 844953387 /nfs/dbraw/zinc/95/33/87/844953387.db2.gz HWCGOOOWLPENEZ-NSHDSACASA-N 2 1 373.504 -0.468 20 0 FBADMP COc1cccc([C@H]([NH3+])CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC001219678304 844953243 /nfs/dbraw/zinc/95/32/43/844953243.db2.gz JZOSBQZMVIGKTN-OAHLLOKOSA-N 2 1 370.475 -0.564 20 0 FBADMP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC001219678512 844953448 /nfs/dbraw/zinc/95/34/48/844953448.db2.gz RBRDSFOGQHWBFR-INIZCTEOSA-N 2 1 366.487 -0.920 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001219678621 844953285 /nfs/dbraw/zinc/95/32/85/844953285.db2.gz WVYJRQVFGGEFTG-UHFFFAOYSA-N 2 1 372.535 -0.102 20 0 FBADMP [NH3+]C[C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678646 844953480 /nfs/dbraw/zinc/95/34/80/844953480.db2.gz XXWLTYCNUXCQPT-HNNXBMFYSA-N 2 1 354.476 -0.845 20 0 FBADMP [NH3+][C@@H](CCCc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678647 844953198 /nfs/dbraw/zinc/95/31/98/844953198.db2.gz XYFXWHWSRKDSKZ-INIZCTEOSA-N 2 1 368.503 -0.312 20 0 FBADMP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678675 844953292 /nfs/dbraw/zinc/95/32/92/844953292.db2.gz ZMKXMGXYLZKWDQ-INIZCTEOSA-N 2 1 372.466 -0.563 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1csc2c1CC[NH2+]C2 ZINC001219680446 844954882 /nfs/dbraw/zinc/95/48/82/844954882.db2.gz IITCYRJOYIQVKR-UHFFFAOYSA-N 2 1 358.489 -0.641 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cc2c(s1)C[NH2+]CC2 ZINC001219680478 844954935 /nfs/dbraw/zinc/95/49/35/844954935.db2.gz JGOFYRFVHSOZLD-UHFFFAOYSA-N 2 1 358.489 -0.641 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccc2c1C[NH2+]CC2 ZINC001219680609 844955032 /nfs/dbraw/zinc/95/50/32/844955032.db2.gz PJDXFJIMSCTKHJ-UHFFFAOYSA-N 2 1 352.460 -0.703 20 0 FBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219681814 844955229 /nfs/dbraw/zinc/95/52/29/844955229.db2.gz BEPDNGMNEOUMSE-UHFFFAOYSA-N 2 1 366.487 -0.660 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219724657 844965313 /nfs/dbraw/zinc/96/53/13/844965313.db2.gz VXZCVSTZIYKORA-OAGGEKHMSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219724657 844965307 /nfs/dbraw/zinc/96/53/07/844965307.db2.gz VXZCVSTZIYKORA-OAGGEKHMSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219724658 844965022 /nfs/dbraw/zinc/96/50/22/844965022.db2.gz VXZCVSTZIYKORA-XHSDSOJGSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219724658 844965014 /nfs/dbraw/zinc/96/50/14/844965014.db2.gz VXZCVSTZIYKORA-XHSDSOJGSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219724732 844966042 /nfs/dbraw/zinc/96/60/42/844966042.db2.gz ZJJVNBNPQBHMIR-OAGGEKHMSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219724732 844966039 /nfs/dbraw/zinc/96/60/39/844966039.db2.gz ZJJVNBNPQBHMIR-OAGGEKHMSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219724733 844965706 /nfs/dbraw/zinc/96/57/06/844965706.db2.gz ZJJVNBNPQBHMIR-XHSDSOJGSA-N 2 1 355.458 -0.196 20 0 FBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219724733 844965697 /nfs/dbraw/zinc/96/56/97/844965697.db2.gz ZJJVNBNPQBHMIR-XHSDSOJGSA-N 2 1 355.458 -0.196 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219745860 844977475 /nfs/dbraw/zinc/97/74/75/844977475.db2.gz BWLJELIKDZPZLX-OAGGEKHMSA-N 2 1 352.479 -0.452 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219745861 844977315 /nfs/dbraw/zinc/97/73/15/844977315.db2.gz BWLJELIKDZPZLX-PMPSAXMXSA-N 2 1 352.479 -0.452 20 0 FBADMP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CCC2(CC1)OCCO2 ZINC001219765861 844984198 /nfs/dbraw/zinc/98/41/98/844984198.db2.gz FTRSOIKADRFYOY-KBMXLJTQSA-N 2 1 352.479 -0.343 20 0 FBADMP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CCC2(CC1)OCCO2 ZINC001219765861 844984194 /nfs/dbraw/zinc/98/41/94/844984194.db2.gz FTRSOIKADRFYOY-KBMXLJTQSA-N 2 1 352.479 -0.343 20 0 FBADMP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CCC2(CC1)OCCO2 ZINC001219765862 844984700 /nfs/dbraw/zinc/98/47/00/844984700.db2.gz FTRSOIKADRFYOY-VNQPRFMTSA-N 2 1 352.479 -0.343 20 0 FBADMP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CCC2(CC1)OCCO2 ZINC001219765862 844984693 /nfs/dbraw/zinc/98/46/93/844984693.db2.gz FTRSOIKADRFYOY-VNQPRFMTSA-N 2 1 352.479 -0.343 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219765954 844984914 /nfs/dbraw/zinc/98/49/14/844984914.db2.gz JKPIWUYIIOHMAD-OLZOCXBDSA-N 2 1 350.492 -0.424 20 0 FBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219765954 844984908 /nfs/dbraw/zinc/98/49/08/844984908.db2.gz JKPIWUYIIOHMAD-OLZOCXBDSA-N 2 1 350.492 -0.424 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792923 844992526 /nfs/dbraw/zinc/99/25/26/844992526.db2.gz ZCWRRACJLLFOSU-BBWFWOEESA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792923 844992518 /nfs/dbraw/zinc/99/25/18/844992518.db2.gz ZCWRRACJLLFOSU-BBWFWOEESA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792923 844992510 /nfs/dbraw/zinc/99/25/10/844992510.db2.gz ZCWRRACJLLFOSU-BBWFWOEESA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792923 844992502 /nfs/dbraw/zinc/99/25/02/844992502.db2.gz ZCWRRACJLLFOSU-BBWFWOEESA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792926 844993332 /nfs/dbraw/zinc/99/33/32/844993332.db2.gz ZCWRRACJLLFOSU-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792926 844993324 /nfs/dbraw/zinc/99/33/24/844993324.db2.gz ZCWRRACJLLFOSU-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792926 844993317 /nfs/dbraw/zinc/99/33/17/844993317.db2.gz ZCWRRACJLLFOSU-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792926 844993311 /nfs/dbraw/zinc/99/33/11/844993311.db2.gz ZCWRRACJLLFOSU-ZACQAIPSSA-N 2 1 357.495 -0.211 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794590 844992599 /nfs/dbraw/zinc/99/25/99/844992599.db2.gz GFQIGDAQLSWOMZ-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794590 844992589 /nfs/dbraw/zinc/99/25/89/844992589.db2.gz GFQIGDAQLSWOMZ-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794590 844992578 /nfs/dbraw/zinc/99/25/78/844992578.db2.gz GFQIGDAQLSWOMZ-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794590 844992568 /nfs/dbraw/zinc/99/25/68/844992568.db2.gz GFQIGDAQLSWOMZ-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794591 844992656 /nfs/dbraw/zinc/99/26/56/844992656.db2.gz GFQIGDAQLSWOMZ-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794591 844992651 /nfs/dbraw/zinc/99/26/51/844992651.db2.gz GFQIGDAQLSWOMZ-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794591 844992640 /nfs/dbraw/zinc/99/26/40/844992640.db2.gz GFQIGDAQLSWOMZ-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794591 844992630 /nfs/dbraw/zinc/99/26/30/844992630.db2.gz GFQIGDAQLSWOMZ-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794993 844994629 /nfs/dbraw/zinc/99/46/29/844994629.db2.gz WVXIWVYYXBSEJI-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794993 844994619 /nfs/dbraw/zinc/99/46/19/844994619.db2.gz WVXIWVYYXBSEJI-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794993 844994612 /nfs/dbraw/zinc/99/46/12/844994612.db2.gz WVXIWVYYXBSEJI-IKGGRYGDSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794994 844994795 /nfs/dbraw/zinc/99/47/95/844994795.db2.gz WVXIWVYYXBSEJI-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794994 844994788 /nfs/dbraw/zinc/99/47/88/844994788.db2.gz WVXIWVYYXBSEJI-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794994 844994782 /nfs/dbraw/zinc/99/47/82/844994782.db2.gz WVXIWVYYXBSEJI-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP [NH3+][C@H]1CCCCN(CC(=O)NC2CCN(C3CC[NH2+]CC3)CC2)C1=O ZINC001219796210 844994384 /nfs/dbraw/zinc/99/43/84/844994384.db2.gz QYBKVRMVWNERNG-INIZCTEOSA-N 2 1 351.495 -0.341 20 0 FBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796223 844994338 /nfs/dbraw/zinc/99/43/38/844994338.db2.gz RMYRIDWQAVEUGA-KRWDZBQOSA-N 2 1 353.511 -0.047 20 0 FBADMP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796281 844994358 /nfs/dbraw/zinc/99/43/58/844994358.db2.gz UKZUJRXVEQVXRZ-INIZCTEOSA-N 2 1 353.511 -0.191 20 0 FBADMP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796294 844994739 /nfs/dbraw/zinc/99/47/39/844994739.db2.gz UTOBTVRHDMONJL-KRWDZBQOSA-N 2 1 353.511 -0.047 20 0 FBADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796314 844994462 /nfs/dbraw/zinc/99/44/62/844994462.db2.gz VJLRXJZQFAQNGA-BBRMVZONSA-N 2 1 351.495 -0.343 20 0 FBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796373 844995320 /nfs/dbraw/zinc/99/53/20/844995320.db2.gz XMTVXZURTWIXPD-GUYCJALGSA-N 2 1 353.511 -0.191 20 0 FBADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796398 844995736 /nfs/dbraw/zinc/99/57/36/844995736.db2.gz YPLBYJNTWYLOHC-HZPDHXFCSA-N 2 1 352.479 -0.282 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001219796835 844996354 /nfs/dbraw/zinc/99/63/54/844996354.db2.gz SKDTVFDBHKXKLJ-IKGGRYGDSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001219796835 844996347 /nfs/dbraw/zinc/99/63/47/844996347.db2.gz SKDTVFDBHKXKLJ-IKGGRYGDSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001219796835 844996342 /nfs/dbraw/zinc/99/63/42/844996342.db2.gz SKDTVFDBHKXKLJ-IKGGRYGDSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001219796835 844996338 /nfs/dbraw/zinc/99/63/38/844996338.db2.gz SKDTVFDBHKXKLJ-IKGGRYGDSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001219796836 844995767 /nfs/dbraw/zinc/99/57/67/844995767.db2.gz SKDTVFDBHKXKLJ-ZACQAIPSSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001219796836 844995762 /nfs/dbraw/zinc/99/57/62/844995762.db2.gz SKDTVFDBHKXKLJ-ZACQAIPSSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001219796836 844995758 /nfs/dbraw/zinc/99/57/58/844995758.db2.gz SKDTVFDBHKXKLJ-ZACQAIPSSA-N 2 1 355.479 -0.436 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001219796836 844995753 /nfs/dbraw/zinc/99/57/53/844995753.db2.gz SKDTVFDBHKXKLJ-ZACQAIPSSA-N 2 1 355.479 -0.436 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798152 844996039 /nfs/dbraw/zinc/99/60/39/844996039.db2.gz GMFIHVOWVYEGIY-OAGGEKHMSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798153 844996392 /nfs/dbraw/zinc/99/63/92/844996392.db2.gz GMFIHVOWVYEGIY-XHSDSOJGSA-N 2 1 357.495 -0.335 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CCC1 ZINC001219798260 844995792 /nfs/dbraw/zinc/99/57/92/844995792.db2.gz HRMSWDLFYBTWLS-OAGGEKHMSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CCC1 ZINC001219798262 844995832 /nfs/dbraw/zinc/99/58/32/844995832.db2.gz HRMSWDLFYBTWLS-XHSDSOJGSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CCC1 ZINC001219798398 844996109 /nfs/dbraw/zinc/99/61/09/844996109.db2.gz KUTHMLJNABVSDW-OAGGEKHMSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CCC1 ZINC001219798398 844996102 /nfs/dbraw/zinc/99/61/02/844996102.db2.gz KUTHMLJNABVSDW-OAGGEKHMSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CCC1 ZINC001219798399 844995340 /nfs/dbraw/zinc/99/53/40/844995340.db2.gz KUTHMLJNABVSDW-XHSDSOJGSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CCC1 ZINC001219798399 844995335 /nfs/dbraw/zinc/99/53/35/844995335.db2.gz KUTHMLJNABVSDW-XHSDSOJGSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)CCC1 ZINC001219798666 844996714 /nfs/dbraw/zinc/99/67/14/844996714.db2.gz QLPSRMJTNPAKAH-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CCC1 ZINC001219798666 844996709 /nfs/dbraw/zinc/99/67/09/844996709.db2.gz QLPSRMJTNPAKAH-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP CN1C[C@@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799701 844997578 /nfs/dbraw/zinc/99/75/78/844997578.db2.gz BAUOLRIJZCLNRK-CABCVRRESA-N 2 1 352.479 -0.676 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799701 844997570 /nfs/dbraw/zinc/99/75/70/844997570.db2.gz BAUOLRIJZCLNRK-CABCVRRESA-N 3 1 352.479 -0.676 20 0 FBADMP CN1C[C@@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799702 844997347 /nfs/dbraw/zinc/99/73/47/844997347.db2.gz BAUOLRIJZCLNRK-GJZGRUSLSA-N 2 1 352.479 -0.676 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799702 844997345 /nfs/dbraw/zinc/99/73/45/844997345.db2.gz BAUOLRIJZCLNRK-GJZGRUSLSA-N 3 1 352.479 -0.676 20 0 FBADMP CN1C[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799703 844997418 /nfs/dbraw/zinc/99/74/18/844997418.db2.gz BAUOLRIJZCLNRK-HUUCEWRRSA-N 2 1 352.479 -0.676 20 0 FBADMP C[N@H+]1C[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799703 844997416 /nfs/dbraw/zinc/99/74/16/844997416.db2.gz BAUOLRIJZCLNRK-HUUCEWRRSA-N 3 1 352.479 -0.676 20 0 FBADMP CN1C[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799704 844996893 /nfs/dbraw/zinc/99/68/93/844996893.db2.gz BAUOLRIJZCLNRK-LSDHHAIUSA-N 2 1 352.479 -0.676 20 0 FBADMP C[N@H+]1C[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799704 844996887 /nfs/dbraw/zinc/99/68/87/844996887.db2.gz BAUOLRIJZCLNRK-LSDHHAIUSA-N 3 1 352.479 -0.676 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219801979 844998519 /nfs/dbraw/zinc/99/85/19/844998519.db2.gz ARFIJKBXFOLUJG-KGLIPLIRSA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219801992 844998607 /nfs/dbraw/zinc/99/86/07/844998607.db2.gz BVYRWTNDPYIHTH-CABCVRRESA-N 2 1 350.467 -0.459 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219802169 844998432 /nfs/dbraw/zinc/99/84/32/844998432.db2.gz GRCWFJZORCCUBQ-TUAOUCFPSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219802170 844999281 /nfs/dbraw/zinc/99/92/81/844999281.db2.gz GRCWFJZORCCUBQ-UTUOFQBUSA-N 2 1 353.385 -0.055 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804107 845000409 /nfs/dbraw/zinc/00/04/09/845000409.db2.gz MYYGOTAUPOYMOF-IJEWVQPXSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804107 845000395 /nfs/dbraw/zinc/00/03/95/845000395.db2.gz MYYGOTAUPOYMOF-IJEWVQPXSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804108 845000073 /nfs/dbraw/zinc/00/00/73/845000073.db2.gz MYYGOTAUPOYMOF-YCPHGPKFSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804108 845000070 /nfs/dbraw/zinc/00/00/70/845000070.db2.gz MYYGOTAUPOYMOF-YCPHGPKFSA-N 2 1 351.451 -0.188 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804419 845000560 /nfs/dbraw/zinc/00/05/60/845000560.db2.gz VLEBNYCAVVDZTL-OWCLPIDISA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804419 845000546 /nfs/dbraw/zinc/00/05/46/845000546.db2.gz VLEBNYCAVVDZTL-OWCLPIDISA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804420 844999980 /nfs/dbraw/zinc/99/99/80/844999980.db2.gz VLEBNYCAVVDZTL-PMPSAXMXSA-N 2 1 350.467 -0.604 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219804420 844999975 /nfs/dbraw/zinc/99/99/75/844999975.db2.gz VLEBNYCAVVDZTL-PMPSAXMXSA-N 2 1 350.467 -0.604 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001219805418 845000451 /nfs/dbraw/zinc/00/04/51/845000451.db2.gz HCWXUBOLANFGQJ-HLLBOEOZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001219805418 845000439 /nfs/dbraw/zinc/00/04/39/845000439.db2.gz HCWXUBOLANFGQJ-HLLBOEOZSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001219805419 845000233 /nfs/dbraw/zinc/00/02/33/845000233.db2.gz HCWXUBOLANFGQJ-VYDXJSESSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001219805419 845000229 /nfs/dbraw/zinc/00/02/29/845000229.db2.gz HCWXUBOLANFGQJ-VYDXJSESSA-N 2 1 352.479 -0.500 20 0 FBADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219805981 845002386 /nfs/dbraw/zinc/00/23/86/845002386.db2.gz HIPCHGYEGVUTEC-MWLCHTKSSA-N 2 1 359.352 -0.107 20 0 FBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806086 845002335 /nfs/dbraw/zinc/00/23/35/845002335.db2.gz JHAUENZEOXSFLW-AWEZNQCLSA-N 3 1 350.467 -0.588 20 0 FBADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219806104 845001724 /nfs/dbraw/zinc/00/17/24/845001724.db2.gz JXGOJVLJKIAVMB-GHMZBOCLSA-N 2 1 359.352 -0.249 20 0 FBADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806373 845002233 /nfs/dbraw/zinc/00/22/33/845002233.db2.gz UCUZSMVWNJPKEW-GFCCVEGCSA-N 2 1 351.451 -0.115 20 0 FBADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C(F)(F)C1CC[NH2+]CC1 ZINC001219807807 845002886 /nfs/dbraw/zinc/00/28/86/845002886.db2.gz OFPYEGYDMMFNBT-UHFFFAOYSA-N 2 1 355.389 -0.012 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219813790 845005860 /nfs/dbraw/zinc/00/58/60/845005860.db2.gz FKKLTAGGVJKWSP-CVEARBPZSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219813790 845005850 /nfs/dbraw/zinc/00/58/50/845005850.db2.gz FKKLTAGGVJKWSP-CVEARBPZSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219813790 845005844 /nfs/dbraw/zinc/00/58/44/845005844.db2.gz FKKLTAGGVJKWSP-CVEARBPZSA-N 2 1 350.467 -0.459 20 0 FBADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219813790 845005840 /nfs/dbraw/zinc/00/58/40/845005840.db2.gz FKKLTAGGVJKWSP-CVEARBPZSA-N 2 1 350.467 -0.459 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813834 845004508 /nfs/dbraw/zinc/00/45/08/845004508.db2.gz HJVHIHHHCQQLEF-BMFZPTHFSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813834 845004505 /nfs/dbraw/zinc/00/45/05/845004505.db2.gz HJVHIHHHCQQLEF-BMFZPTHFSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813834 845004502 /nfs/dbraw/zinc/00/45/02/845004502.db2.gz HJVHIHHHCQQLEF-BMFZPTHFSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813835 845004768 /nfs/dbraw/zinc/00/47/68/845004768.db2.gz HJVHIHHHCQQLEF-IMJJTQAJSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813835 845004758 /nfs/dbraw/zinc/00/47/58/845004758.db2.gz HJVHIHHHCQQLEF-IMJJTQAJSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813835 845004748 /nfs/dbraw/zinc/00/47/48/845004748.db2.gz HJVHIHHHCQQLEF-IMJJTQAJSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813954 845004846 /nfs/dbraw/zinc/00/48/46/845004846.db2.gz MITVYHLHSUMMHV-UPJWGTAASA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813954 845004836 /nfs/dbraw/zinc/00/48/36/845004836.db2.gz MITVYHLHSUMMHV-UPJWGTAASA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813954 845004824 /nfs/dbraw/zinc/00/48/24/845004824.db2.gz MITVYHLHSUMMHV-UPJWGTAASA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813954 845004816 /nfs/dbraw/zinc/00/48/16/845004816.db2.gz MITVYHLHSUMMHV-UPJWGTAASA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813955 845005028 /nfs/dbraw/zinc/00/50/28/845005028.db2.gz MITVYHLHSUMMHV-XQQFMLRXSA-N 2 1 353.385 -0.055 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813955 845005020 /nfs/dbraw/zinc/00/50/20/845005020.db2.gz MITVYHLHSUMMHV-XQQFMLRXSA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813955 845005008 /nfs/dbraw/zinc/00/50/08/845005008.db2.gz MITVYHLHSUMMHV-XQQFMLRXSA-N 2 1 353.385 -0.055 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219813955 845004996 /nfs/dbraw/zinc/00/49/96/845004996.db2.gz MITVYHLHSUMMHV-XQQFMLRXSA-N 2 1 353.385 -0.055 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219814153 845005514 /nfs/dbraw/zinc/00/55/14/845005514.db2.gz VDWNMKSZLCGWEH-CABCVRRESA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219814153 845005508 /nfs/dbraw/zinc/00/55/08/845005508.db2.gz VDWNMKSZLCGWEH-CABCVRRESA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219814153 845005500 /nfs/dbraw/zinc/00/55/00/845005500.db2.gz VDWNMKSZLCGWEH-CABCVRRESA-N 2 1 351.451 -0.044 20 0 FBADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219814153 845005497 /nfs/dbraw/zinc/00/54/97/845005497.db2.gz VDWNMKSZLCGWEH-CABCVRRESA-N 2 1 351.451 -0.044 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815681 845006966 /nfs/dbraw/zinc/00/69/66/845006966.db2.gz FJVOCIISEASTKB-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815681 845006958 /nfs/dbraw/zinc/00/69/58/845006958.db2.gz FJVOCIISEASTKB-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815681 845006954 /nfs/dbraw/zinc/00/69/54/845006954.db2.gz FJVOCIISEASTKB-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815682 845007711 /nfs/dbraw/zinc/00/77/11/845007711.db2.gz FJVOCIISEASTKB-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815682 845007705 /nfs/dbraw/zinc/00/77/05/845007705.db2.gz FJVOCIISEASTKB-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815682 845007697 /nfs/dbraw/zinc/00/76/97/845007697.db2.gz FJVOCIISEASTKB-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816014 845006558 /nfs/dbraw/zinc/00/65/58/845006558.db2.gz VFJQOVIYNUNMBW-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816014 845006551 /nfs/dbraw/zinc/00/65/51/845006551.db2.gz VFJQOVIYNUNMBW-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816014 845006546 /nfs/dbraw/zinc/00/65/46/845006546.db2.gz VFJQOVIYNUNMBW-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816014 845006534 /nfs/dbraw/zinc/00/65/34/845006534.db2.gz VFJQOVIYNUNMBW-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816015 845006816 /nfs/dbraw/zinc/00/68/16/845006816.db2.gz VFJQOVIYNUNMBW-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816015 845006807 /nfs/dbraw/zinc/00/68/07/845006807.db2.gz VFJQOVIYNUNMBW-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816015 845006800 /nfs/dbraw/zinc/00/68/00/845006800.db2.gz VFJQOVIYNUNMBW-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O)C1CCC1 ZINC001219816015 845006792 /nfs/dbraw/zinc/00/67/92/845006792.db2.gz VFJQOVIYNUNMBW-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816036 845007675 /nfs/dbraw/zinc/00/76/75/845007675.db2.gz WCLRTGMYBRHWLQ-BBWFWOEESA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816036 845007672 /nfs/dbraw/zinc/00/76/72/845007672.db2.gz WCLRTGMYBRHWLQ-BBWFWOEESA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816036 845007667 /nfs/dbraw/zinc/00/76/67/845007667.db2.gz WCLRTGMYBRHWLQ-BBWFWOEESA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816037 845007948 /nfs/dbraw/zinc/00/79/48/845007948.db2.gz WCLRTGMYBRHWLQ-ZACQAIPSSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816037 845007938 /nfs/dbraw/zinc/00/79/38/845007938.db2.gz WCLRTGMYBRHWLQ-ZACQAIPSSA-N 2 1 357.495 -0.335 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816037 845007926 /nfs/dbraw/zinc/00/79/26/845007926.db2.gz WCLRTGMYBRHWLQ-ZACQAIPSSA-N 2 1 357.495 -0.335 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CCC1 ZINC001219816063 845007806 /nfs/dbraw/zinc/00/78/06/845007806.db2.gz XDZOZOFSTPVZDA-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)C1CCC1 ZINC001219816063 845007799 /nfs/dbraw/zinc/00/77/99/845007799.db2.gz XDZOZOFSTPVZDA-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O)C1CCC1 ZINC001219816063 845007790 /nfs/dbraw/zinc/00/77/90/845007790.db2.gz XDZOZOFSTPVZDA-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O)C1CCC1 ZINC001219816063 845007785 /nfs/dbraw/zinc/00/77/85/845007785.db2.gz XDZOZOFSTPVZDA-CVEARBPZSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829681 845011638 /nfs/dbraw/zinc/01/16/38/845011638.db2.gz BDXCLKBCYPWCRZ-OAGGEKHMSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829681 845011627 /nfs/dbraw/zinc/01/16/27/845011627.db2.gz BDXCLKBCYPWCRZ-OAGGEKHMSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829681 845011614 /nfs/dbraw/zinc/01/16/14/845011614.db2.gz BDXCLKBCYPWCRZ-OAGGEKHMSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829681 845011601 /nfs/dbraw/zinc/01/16/01/845011601.db2.gz BDXCLKBCYPWCRZ-OAGGEKHMSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829682 845012063 /nfs/dbraw/zinc/01/20/63/845012063.db2.gz BDXCLKBCYPWCRZ-XHSDSOJGSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829682 845012059 /nfs/dbraw/zinc/01/20/59/845012059.db2.gz BDXCLKBCYPWCRZ-XHSDSOJGSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829682 845012055 /nfs/dbraw/zinc/01/20/55/845012055.db2.gz BDXCLKBCYPWCRZ-XHSDSOJGSA-N 2 1 352.479 -0.452 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219829682 845012053 /nfs/dbraw/zinc/01/20/53/845012053.db2.gz BDXCLKBCYPWCRZ-XHSDSOJGSA-N 2 1 352.479 -0.452 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829781 845012038 /nfs/dbraw/zinc/01/20/38/845012038.db2.gz FAIIFFIVUCMFJU-KFWWJZLASA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829781 845012035 /nfs/dbraw/zinc/01/20/35/845012035.db2.gz FAIIFFIVUCMFJU-KFWWJZLASA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829781 845012030 /nfs/dbraw/zinc/01/20/30/845012030.db2.gz FAIIFFIVUCMFJU-KFWWJZLASA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829781 845012027 /nfs/dbraw/zinc/01/20/27/845012027.db2.gz FAIIFFIVUCMFJU-KFWWJZLASA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829782 845011777 /nfs/dbraw/zinc/01/17/77/845011777.db2.gz FAIIFFIVUCMFJU-ZNMIVQPWSA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829782 845011768 /nfs/dbraw/zinc/01/17/68/845011768.db2.gz FAIIFFIVUCMFJU-ZNMIVQPWSA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829782 845011755 /nfs/dbraw/zinc/01/17/55/845011755.db2.gz FAIIFFIVUCMFJU-ZNMIVQPWSA-N 2 1 353.467 -0.953 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219829782 845011743 /nfs/dbraw/zinc/01/17/43/845011743.db2.gz FAIIFFIVUCMFJU-ZNMIVQPWSA-N 2 1 353.467 -0.953 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829811 845011977 /nfs/dbraw/zinc/01/19/77/845011977.db2.gz FRARARCWSSQZEH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829811 845011969 /nfs/dbraw/zinc/01/19/69/845011969.db2.gz FRARARCWSSQZEH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829811 845011960 /nfs/dbraw/zinc/01/19/60/845011960.db2.gz FRARARCWSSQZEH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829811 845011953 /nfs/dbraw/zinc/01/19/53/845011953.db2.gz FRARARCWSSQZEH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829812 845012107 /nfs/dbraw/zinc/01/21/07/845012107.db2.gz FRARARCWSSQZEH-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829812 845012101 /nfs/dbraw/zinc/01/21/01/845012101.db2.gz FRARARCWSSQZEH-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829812 845012098 /nfs/dbraw/zinc/01/20/98/845012098.db2.gz FRARARCWSSQZEH-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001219829812 845012077 /nfs/dbraw/zinc/01/20/77/845012077.db2.gz FRARARCWSSQZEH-XHSDSOJGSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838230 845016173 /nfs/dbraw/zinc/01/61/73/845016173.db2.gz OXLZIMSGMWIHLQ-MPGHIAIKSA-N 2 1 354.495 -0.430 20 0 FBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838231 845016454 /nfs/dbraw/zinc/01/64/54/845016454.db2.gz OXLZIMSGMWIHLQ-RLFYNMQTSA-N 2 1 354.495 -0.430 20 0 FBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838310 845016420 /nfs/dbraw/zinc/01/64/20/845016420.db2.gz OXLZIMSGMWIHLQ-RVKKMQEKSA-N 2 1 354.495 -0.430 20 0 FBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838311 845016333 /nfs/dbraw/zinc/01/63/33/845016333.db2.gz OXLZIMSGMWIHLQ-VKJFTORMSA-N 2 1 354.495 -0.430 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219841875 845018845 /nfs/dbraw/zinc/01/88/45/845018845.db2.gz BJHSZNQBJONLJP-VYDXJSESSA-N 2 1 350.463 -0.367 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219845052 845020902 /nfs/dbraw/zinc/02/09/02/845020902.db2.gz ATNNLJFBPDTTJA-PMPSAXMXSA-N 2 1 352.483 -0.358 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219845052 845020884 /nfs/dbraw/zinc/02/08/84/845020884.db2.gz ATNNLJFBPDTTJA-PMPSAXMXSA-N 2 1 352.483 -0.358 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219848873 845021875 /nfs/dbraw/zinc/02/18/75/845021875.db2.gz WGCGPJDBCUUQKG-VYDXJSESSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219848873 845021867 /nfs/dbraw/zinc/02/18/67/845021867.db2.gz WGCGPJDBCUUQKG-VYDXJSESSA-N 2 1 354.495 -0.254 20 0 FBADMP CN1C[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849676 845023921 /nfs/dbraw/zinc/02/39/21/845023921.db2.gz FDDFWNNPWAMVQH-CAOSSQGBSA-N 2 1 352.479 -0.820 20 0 FBADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849676 845023911 /nfs/dbraw/zinc/02/39/11/845023911.db2.gz FDDFWNNPWAMVQH-CAOSSQGBSA-N 3 1 352.479 -0.820 20 0 FBADMP CN1C[C@@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849677 845024070 /nfs/dbraw/zinc/02/40/70/845024070.db2.gz FDDFWNNPWAMVQH-JONQDZQNSA-N 2 1 352.479 -0.820 20 0 FBADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849677 845024060 /nfs/dbraw/zinc/02/40/60/845024060.db2.gz FDDFWNNPWAMVQH-JONQDZQNSA-N 3 1 352.479 -0.820 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219868154 845033565 /nfs/dbraw/zinc/03/35/65/845033565.db2.gz XRPJPAAZCPUZGI-CVEARBPZSA-N 2 1 355.479 -0.313 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219868154 845033559 /nfs/dbraw/zinc/03/35/59/845033559.db2.gz XRPJPAAZCPUZGI-CVEARBPZSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219869693 845032746 /nfs/dbraw/zinc/03/27/46/845032746.db2.gz RFTYSGDFGQVHKN-OAGGEKHMSA-N 2 1 352.483 -0.050 20 0 FBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877329 845036339 /nfs/dbraw/zinc/03/63/39/845036339.db2.gz AMYHVQDVAYOLDL-CVEARBPZSA-N 2 1 357.495 -0.067 20 0 FBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877400 845035970 /nfs/dbraw/zinc/03/59/70/845035970.db2.gz DIUQVTYLRZUQKI-CVEARBPZSA-N 2 1 357.495 -0.067 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219877694 845037534 /nfs/dbraw/zinc/03/75/34/845037534.db2.gz OPIXJUFFXHTJOG-OAGGEKHMSA-N 2 1 355.479 -0.457 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219877695 845037953 /nfs/dbraw/zinc/03/79/53/845037953.db2.gz OPIXJUFFXHTJOG-XHSDSOJGSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877879 845038239 /nfs/dbraw/zinc/03/82/39/845038239.db2.gz TZQMWAOECXOIAW-OAGGEKHMSA-N 2 1 357.495 -0.333 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877880 845037287 /nfs/dbraw/zinc/03/72/87/845037287.db2.gz TZQMWAOECXOIAW-XHSDSOJGSA-N 2 1 357.495 -0.333 20 0 FBADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001219878041 845038318 /nfs/dbraw/zinc/03/83/18/845038318.db2.gz XPPSQARMGPYSCH-OAGGEKHMSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001219878042 845038021 /nfs/dbraw/zinc/03/80/21/845038021.db2.gz XPPSQARMGPYSCH-XHSDSOJGSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878057 845037477 /nfs/dbraw/zinc/03/74/77/845037477.db2.gz YFTDDCYVRDDHFM-CVEARBPZSA-N 2 1 357.495 -0.069 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219896883 845049316 /nfs/dbraw/zinc/04/93/16/845049316.db2.gz NSEBMASLGZQCCS-OAGGEKHMSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219896883 845049315 /nfs/dbraw/zinc/04/93/15/845049315.db2.gz NSEBMASLGZQCCS-OAGGEKHMSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219896883 845049312 /nfs/dbraw/zinc/04/93/12/845049312.db2.gz NSEBMASLGZQCCS-OAGGEKHMSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219896884 845049248 /nfs/dbraw/zinc/04/92/48/845049248.db2.gz NSEBMASLGZQCCS-XHSDSOJGSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219896884 845049244 /nfs/dbraw/zinc/04/92/44/845049244.db2.gz NSEBMASLGZQCCS-XHSDSOJGSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219896884 845049238 /nfs/dbraw/zinc/04/92/38/845049238.db2.gz NSEBMASLGZQCCS-XHSDSOJGSA-N 2 1 359.511 -0.089 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896937 845048939 /nfs/dbraw/zinc/04/89/39/845048939.db2.gz PKACCYHTWIZIJB-KFWWJZLASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896937 845048930 /nfs/dbraw/zinc/04/89/30/845048930.db2.gz PKACCYHTWIZIJB-KFWWJZLASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896937 845048921 /nfs/dbraw/zinc/04/89/21/845048921.db2.gz PKACCYHTWIZIJB-KFWWJZLASA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896938 845049124 /nfs/dbraw/zinc/04/91/24/845049124.db2.gz PKACCYHTWIZIJB-ZNMIVQPWSA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896938 845049120 /nfs/dbraw/zinc/04/91/20/845049120.db2.gz PKACCYHTWIZIJB-ZNMIVQPWSA-N 2 1 353.467 -0.864 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896938 845049116 /nfs/dbraw/zinc/04/91/16/845049116.db2.gz PKACCYHTWIZIJB-ZNMIVQPWSA-N 2 1 353.467 -0.864 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219898474 845049517 /nfs/dbraw/zinc/04/95/17/845049517.db2.gz FGINOSGWOFFMTI-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219898474 845049511 /nfs/dbraw/zinc/04/95/11/845049511.db2.gz FGINOSGWOFFMTI-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219898474 845049503 /nfs/dbraw/zinc/04/95/03/845049503.db2.gz FGINOSGWOFFMTI-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219898474 845049497 /nfs/dbraw/zinc/04/94/97/845049497.db2.gz FGINOSGWOFFMTI-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902675 845051565 /nfs/dbraw/zinc/05/15/65/845051565.db2.gz GUTPNBJXNAWHQJ-MCIONIFRSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902675 845051559 /nfs/dbraw/zinc/05/15/59/845051559.db2.gz GUTPNBJXNAWHQJ-MCIONIFRSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902675 845051549 /nfs/dbraw/zinc/05/15/49/845051549.db2.gz GUTPNBJXNAWHQJ-MCIONIFRSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902677 845050816 /nfs/dbraw/zinc/05/08/16/845050816.db2.gz GUTPNBJXNAWHQJ-MJBXVCDLSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902677 845050806 /nfs/dbraw/zinc/05/08/06/845050806.db2.gz GUTPNBJXNAWHQJ-MJBXVCDLSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902677 845050799 /nfs/dbraw/zinc/05/07/99/845050799.db2.gz GUTPNBJXNAWHQJ-MJBXVCDLSA-N 2 1 350.467 -0.343 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845050977 /nfs/dbraw/zinc/05/09/77/845050977.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845050967 /nfs/dbraw/zinc/05/09/67/845050967.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845050954 /nfs/dbraw/zinc/05/09/54/845050954.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051834 /nfs/dbraw/zinc/05/18/34/845051834.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051829 /nfs/dbraw/zinc/05/18/29/845051829.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051824 /nfs/dbraw/zinc/05/18/24/845051824.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 2 1 354.495 -0.206 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219903072 845050415 /nfs/dbraw/zinc/05/04/15/845050415.db2.gz SBHVEPPIIRFWSW-CABCVRRESA-N 2 1 352.483 -0.213 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219903072 845050406 /nfs/dbraw/zinc/05/04/06/845050406.db2.gz SBHVEPPIIRFWSW-CABCVRRESA-N 2 1 352.483 -0.213 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219903072 845050396 /nfs/dbraw/zinc/05/03/96/845050396.db2.gz SBHVEPPIIRFWSW-CABCVRRESA-N 2 1 352.483 -0.213 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219903072 845050382 /nfs/dbraw/zinc/05/03/82/845050382.db2.gz SBHVEPPIIRFWSW-CABCVRRESA-N 2 1 352.483 -0.213 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219903113 845051126 /nfs/dbraw/zinc/05/11/26/845051126.db2.gz TVSZIUKMLRFELH-CABCVRRESA-N 2 1 358.483 -0.969 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219903113 845051115 /nfs/dbraw/zinc/05/11/15/845051115.db2.gz TVSZIUKMLRFELH-CABCVRRESA-N 2 1 358.483 -0.969 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219903113 845051106 /nfs/dbraw/zinc/05/11/06/845051106.db2.gz TVSZIUKMLRFELH-CABCVRRESA-N 2 1 358.483 -0.969 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219903113 845051098 /nfs/dbraw/zinc/05/10/98/845051098.db2.gz TVSZIUKMLRFELH-CABCVRRESA-N 2 1 358.483 -0.969 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219906822 845053971 /nfs/dbraw/zinc/05/39/71/845053971.db2.gz ZEDGUZMUTCULNR-CABCVRRESA-N 2 1 350.463 -0.223 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219906822 845053961 /nfs/dbraw/zinc/05/39/61/845053961.db2.gz ZEDGUZMUTCULNR-CABCVRRESA-N 2 1 350.463 -0.223 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219906822 845053954 /nfs/dbraw/zinc/05/39/54/845053954.db2.gz ZEDGUZMUTCULNR-CABCVRRESA-N 2 1 350.463 -0.223 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910771 845055046 /nfs/dbraw/zinc/05/50/46/845055046.db2.gz RKVYFDROOXQNDY-OAGGEKHMSA-N 2 1 352.435 -0.924 20 0 FBADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919569 845056901 /nfs/dbraw/zinc/05/69/01/845056901.db2.gz CYHQCBJUWRKZES-CVEARBPZSA-N 2 1 352.435 -0.922 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919874 845056062 /nfs/dbraw/zinc/05/60/62/845056062.db2.gz RKVYFDROOXQNDY-XHSDSOJGSA-N 2 1 352.435 -0.924 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922685 845056464 /nfs/dbraw/zinc/05/64/64/845056464.db2.gz BEJURJXWKZLSEI-OAGGEKHMSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922685 845056457 /nfs/dbraw/zinc/05/64/57/845056457.db2.gz BEJURJXWKZLSEI-OAGGEKHMSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922685 845056452 /nfs/dbraw/zinc/05/64/52/845056452.db2.gz BEJURJXWKZLSEI-OAGGEKHMSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922686 845057850 /nfs/dbraw/zinc/05/78/50/845057850.db2.gz BEJURJXWKZLSEI-XHSDSOJGSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922686 845057841 /nfs/dbraw/zinc/05/78/41/845057841.db2.gz BEJURJXWKZLSEI-XHSDSOJGSA-N 2 1 357.495 -0.192 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922686 845057835 /nfs/dbraw/zinc/05/78/35/845057835.db2.gz BEJURJXWKZLSEI-XHSDSOJGSA-N 2 1 357.495 -0.192 20 0 FBADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219922987 845057773 /nfs/dbraw/zinc/05/77/73/845057773.db2.gz RTRAGVYQGIVGRU-CVEARBPZSA-N 2 1 357.495 -0.190 20 0 FBADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219922987 845057768 /nfs/dbraw/zinc/05/77/68/845057768.db2.gz RTRAGVYQGIVGRU-CVEARBPZSA-N 2 1 357.495 -0.190 20 0 FBADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219922987 845057761 /nfs/dbraw/zinc/05/77/61/845057761.db2.gz RTRAGVYQGIVGRU-CVEARBPZSA-N 2 1 357.495 -0.190 20 0 FBADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219922987 845057757 /nfs/dbraw/zinc/05/77/57/845057757.db2.gz RTRAGVYQGIVGRU-CVEARBPZSA-N 2 1 357.495 -0.190 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928005 845060849 /nfs/dbraw/zinc/06/08/49/845060849.db2.gz MCVAJCMTFHNTFA-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928005 845060844 /nfs/dbraw/zinc/06/08/44/845060844.db2.gz MCVAJCMTFHNTFA-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928005 845060839 /nfs/dbraw/zinc/06/08/39/845060839.db2.gz MCVAJCMTFHNTFA-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928005 845060833 /nfs/dbraw/zinc/06/08/33/845060833.db2.gz MCVAJCMTFHNTFA-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928006 845060921 /nfs/dbraw/zinc/06/09/21/845060921.db2.gz MCVAJCMTFHNTFA-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928006 845060916 /nfs/dbraw/zinc/06/09/16/845060916.db2.gz MCVAJCMTFHNTFA-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928006 845060912 /nfs/dbraw/zinc/06/09/12/845060912.db2.gz MCVAJCMTFHNTFA-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928006 845060907 /nfs/dbraw/zinc/06/09/07/845060907.db2.gz MCVAJCMTFHNTFA-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219934772 845065745 /nfs/dbraw/zinc/06/57/45/845065745.db2.gz MHARLAFUMIWOLY-GJZGRUSLSA-N 3 1 350.467 -0.245 20 0 FBADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219938838 845066764 /nfs/dbraw/zinc/06/67/64/845066764.db2.gz GQWMUDLSLIHTPW-CQSZACIVSA-N 2 1 355.483 -0.087 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219939146 845066468 /nfs/dbraw/zinc/06/64/68/845066468.db2.gz SQNASDUXNIKSNR-HNNXBMFYSA-N 2 1 352.479 -0.532 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219939147 845067200 /nfs/dbraw/zinc/06/72/00/845067200.db2.gz SQNASDUXNIKSNR-OAHLLOKOSA-N 2 1 352.479 -0.532 20 0 FBADMP COC(=O)C1(NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999100 845091638 /nfs/dbraw/zinc/09/16/38/845091638.db2.gz KEHLBIDWGXNULZ-AWEZNQCLSA-N 2 1 352.479 -0.138 20 0 FBADMP COC(=O)C1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999100 845091633 /nfs/dbraw/zinc/09/16/33/845091633.db2.gz KEHLBIDWGXNULZ-AWEZNQCLSA-N 3 1 352.479 -0.138 20 0 FBADMP COC(=O)C1(NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999101 845091230 /nfs/dbraw/zinc/09/12/30/845091230.db2.gz KEHLBIDWGXNULZ-CQSZACIVSA-N 2 1 352.479 -0.138 20 0 FBADMP COC(=O)C1(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999101 845091223 /nfs/dbraw/zinc/09/12/23/845091223.db2.gz KEHLBIDWGXNULZ-CQSZACIVSA-N 3 1 352.479 -0.138 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220011291 845097252 /nfs/dbraw/zinc/09/72/52/845097252.db2.gz PVKYIHUODMOGKT-OAGGEKHMSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220011291 845097250 /nfs/dbraw/zinc/09/72/50/845097250.db2.gz PVKYIHUODMOGKT-OAGGEKHMSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220011292 845097733 /nfs/dbraw/zinc/09/77/33/845097733.db2.gz PVKYIHUODMOGKT-XHSDSOJGSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220011292 845097726 /nfs/dbraw/zinc/09/77/26/845097726.db2.gz PVKYIHUODMOGKT-XHSDSOJGSA-N 2 1 352.435 -0.452 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033519 845104572 /nfs/dbraw/zinc/10/45/72/845104572.db2.gz FPVRDFKHEGCRFL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033519 845104568 /nfs/dbraw/zinc/10/45/68/845104568.db2.gz FPVRDFKHEGCRFL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033519 845104566 /nfs/dbraw/zinc/10/45/66/845104566.db2.gz FPVRDFKHEGCRFL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033520 845104660 /nfs/dbraw/zinc/10/46/60/845104660.db2.gz FPVRDFKHEGCRFL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033520 845104657 /nfs/dbraw/zinc/10/46/57/845104657.db2.gz FPVRDFKHEGCRFL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033520 845104651 /nfs/dbraw/zinc/10/46/51/845104651.db2.gz FPVRDFKHEGCRFL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034020 845104246 /nfs/dbraw/zinc/10/42/46/845104246.db2.gz MADIWQZPZFPAQY-OWQJAQGESA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034020 845104241 /nfs/dbraw/zinc/10/42/41/845104241.db2.gz MADIWQZPZFPAQY-OWQJAQGESA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034020 845104236 /nfs/dbraw/zinc/10/42/36/845104236.db2.gz MADIWQZPZFPAQY-OWQJAQGESA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034021 845104607 /nfs/dbraw/zinc/10/46/07/845104607.db2.gz MADIWQZPZFPAQY-PLQZLIEUSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034021 845104602 /nfs/dbraw/zinc/10/46/02/845104602.db2.gz MADIWQZPZFPAQY-PLQZLIEUSA-N 2 1 353.463 -0.564 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034021 845104599 /nfs/dbraw/zinc/10/45/99/845104599.db2.gz MADIWQZPZFPAQY-PLQZLIEUSA-N 2 1 353.463 -0.564 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106377 /nfs/dbraw/zinc/10/63/77/845106377.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106368 /nfs/dbraw/zinc/10/63/68/845106368.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106358 /nfs/dbraw/zinc/10/63/58/845106358.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105794 /nfs/dbraw/zinc/10/57/94/845105794.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105789 /nfs/dbraw/zinc/10/57/89/845105789.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105785 /nfs/dbraw/zinc/10/57/85/845105785.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 2 1 353.463 -0.563 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057730 845113965 /nfs/dbraw/zinc/11/39/65/845113965.db2.gz FHQJQXAOKNYKMV-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057730 845113952 /nfs/dbraw/zinc/11/39/52/845113952.db2.gz FHQJQXAOKNYKMV-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057731 845113282 /nfs/dbraw/zinc/11/32/82/845113282.db2.gz FHQJQXAOKNYKMV-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057731 845113277 /nfs/dbraw/zinc/11/32/77/845113277.db2.gz FHQJQXAOKNYKMV-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCCCC1 ZINC001220072048 845122294 /nfs/dbraw/zinc/12/22/94/845122294.db2.gz CLHVIZLIINAMRQ-CVEARBPZSA-N 2 1 357.495 -0.331 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCCCC1 ZINC001220072048 845122291 /nfs/dbraw/zinc/12/22/91/845122291.db2.gz CLHVIZLIINAMRQ-CVEARBPZSA-N 2 1 357.495 -0.331 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072371 845121958 /nfs/dbraw/zinc/12/19/58/845121958.db2.gz SASXDMOJPBZLAM-OAGGEKHMSA-N 2 1 357.495 -0.333 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072372 845121352 /nfs/dbraw/zinc/12/13/52/845121352.db2.gz SASXDMOJPBZLAM-XHSDSOJGSA-N 2 1 357.495 -0.333 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073871 845121178 /nfs/dbraw/zinc/12/11/78/845121178.db2.gz NRMBDCKDORLEFW-BBWFWOEESA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073871 845121172 /nfs/dbraw/zinc/12/11/72/845121172.db2.gz NRMBDCKDORLEFW-BBWFWOEESA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073871 845121159 /nfs/dbraw/zinc/12/11/59/845121159.db2.gz NRMBDCKDORLEFW-BBWFWOEESA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073872 845122325 /nfs/dbraw/zinc/12/23/25/845122325.db2.gz NRMBDCKDORLEFW-ZACQAIPSSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073872 845122316 /nfs/dbraw/zinc/12/23/16/845122316.db2.gz NRMBDCKDORLEFW-ZACQAIPSSA-N 2 1 357.495 -0.190 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073872 845122309 /nfs/dbraw/zinc/12/23/09/845122309.db2.gz NRMBDCKDORLEFW-ZACQAIPSSA-N 2 1 357.495 -0.190 20 0 FBADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCCCC1 ZINC001220073965 845121928 /nfs/dbraw/zinc/12/19/28/845121928.db2.gz RJZUMLJYFSCMPQ-SJORKVTESA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCCCC1 ZINC001220073965 845121920 /nfs/dbraw/zinc/12/19/20/845121920.db2.gz RJZUMLJYFSCMPQ-SJORKVTESA-N 2 1 357.495 -0.189 20 0 FBADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)C1CCCCC1 ZINC001220073965 845121913 /nfs/dbraw/zinc/12/19/13/845121913.db2.gz RJZUMLJYFSCMPQ-SJORKVTESA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCCC1 ZINC001220078355 845124912 /nfs/dbraw/zinc/12/49/12/845124912.db2.gz MZYHXZBQJVOYHL-CABCVRRESA-N 2 1 350.467 -0.296 20 0 FBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCCC1 ZINC001220078355 845124907 /nfs/dbraw/zinc/12/49/07/845124907.db2.gz MZYHXZBQJVOYHL-CABCVRRESA-N 2 1 350.467 -0.296 20 0 FBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220103017 845133704 /nfs/dbraw/zinc/13/37/04/845133704.db2.gz CHCOHAJZBVOIEI-VIFPVBQESA-N 3 1 354.377 -0.377 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203943 845160232 /nfs/dbraw/zinc/16/02/32/845160232.db2.gz VSWQFUNCJZILKC-BBWFWOEESA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203943 845160223 /nfs/dbraw/zinc/16/02/23/845160223.db2.gz VSWQFUNCJZILKC-BBWFWOEESA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203943 845160215 /nfs/dbraw/zinc/16/02/15/845160215.db2.gz VSWQFUNCJZILKC-BBWFWOEESA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203943 845160206 /nfs/dbraw/zinc/16/02/06/845160206.db2.gz VSWQFUNCJZILKC-BBWFWOEESA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203944 845159924 /nfs/dbraw/zinc/15/99/24/845159924.db2.gz VSWQFUNCJZILKC-ZACQAIPSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203944 845159914 /nfs/dbraw/zinc/15/99/14/845159914.db2.gz VSWQFUNCJZILKC-ZACQAIPSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203944 845159906 /nfs/dbraw/zinc/15/99/06/845159906.db2.gz VSWQFUNCJZILKC-ZACQAIPSSA-N 2 1 357.495 -0.067 20 0 FBADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001220203944 845159898 /nfs/dbraw/zinc/15/98/98/845159898.db2.gz VSWQFUNCJZILKC-ZACQAIPSSA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227176 845169486 /nfs/dbraw/zinc/16/94/86/845169486.db2.gz KOSNRWSFFVHWHI-OAGGEKHMSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227177 845169610 /nfs/dbraw/zinc/16/96/10/845169610.db2.gz KOSNRWSFFVHWHI-XHSDSOJGSA-N 2 1 355.479 -0.315 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227381 845169377 /nfs/dbraw/zinc/16/93/77/845169377.db2.gz QSZBABBTWUMNQL-OAGGEKHMSA-N 2 1 357.495 -0.477 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227382 845169293 /nfs/dbraw/zinc/16/92/93/845169293.db2.gz QSZBABBTWUMNQL-XHSDSOJGSA-N 2 1 357.495 -0.477 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220227649 845171347 /nfs/dbraw/zinc/17/13/47/845171347.db2.gz YXWPGTNKCLXKOP-OAGGEKHMSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220227649 845171341 /nfs/dbraw/zinc/17/13/41/845171341.db2.gz YXWPGTNKCLXKOP-OAGGEKHMSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220227650 845170872 /nfs/dbraw/zinc/17/08/72/845170872.db2.gz YXWPGTNKCLXKOP-XHSDSOJGSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220227650 845170864 /nfs/dbraw/zinc/17/08/64/845170864.db2.gz YXWPGTNKCLXKOP-XHSDSOJGSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001220229091 845170608 /nfs/dbraw/zinc/17/06/08/845170608.db2.gz MIEPWRZFRIKXCA-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229240 845170843 /nfs/dbraw/zinc/17/08/43/845170843.db2.gz UGPVZBLJBSSOJE-CABCVRRESA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229240 845170831 /nfs/dbraw/zinc/17/08/31/845170831.db2.gz UGPVZBLJBSSOJE-CABCVRRESA-N 2 1 350.467 -0.602 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229320 845172303 /nfs/dbraw/zinc/17/23/03/845172303.db2.gz XSOATEBOUYUJCK-KGLIPLIRSA-N 2 1 351.451 -0.186 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229320 845172297 /nfs/dbraw/zinc/17/22/97/845172297.db2.gz XSOATEBOUYUJCK-KGLIPLIRSA-N 2 1 351.451 -0.186 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230333 845172020 /nfs/dbraw/zinc/17/20/20/845172020.db2.gz BHSFWTTVTWXOGK-KFWWJZLASA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230334 845172405 /nfs/dbraw/zinc/17/24/05/845172405.db2.gz BHSFWTTVTWXOGK-ZNMIVQPWSA-N 2 1 352.479 -0.594 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220231058 845172455 /nfs/dbraw/zinc/17/24/55/845172455.db2.gz YLPVEYSSUQNVDG-TUAOUCFPSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220231058 845172448 /nfs/dbraw/zinc/17/24/48/845172448.db2.gz YLPVEYSSUQNVDG-TUAOUCFPSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220231059 845172219 /nfs/dbraw/zinc/17/22/19/845172219.db2.gz YLPVEYSSUQNVDG-UTUOFQBUSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220231059 845172215 /nfs/dbraw/zinc/17/22/15/845172215.db2.gz YLPVEYSSUQNVDG-UTUOFQBUSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220236677 845173342 /nfs/dbraw/zinc/17/33/42/845173342.db2.gz DHFQHHAEKLDFSS-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220236678 845173627 /nfs/dbraw/zinc/17/36/27/845173627.db2.gz DHFQHHAEKLDFSS-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220236975 845173874 /nfs/dbraw/zinc/17/38/74/845173874.db2.gz MAOMMKBULSMAFB-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220236975 845173866 /nfs/dbraw/zinc/17/38/66/845173866.db2.gz MAOMMKBULSMAFB-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220237294 845174762 /nfs/dbraw/zinc/17/47/62/845174762.db2.gz SEKYBGTVGSZRDV-NEPJUHHUSA-N 2 1 368.400 -0.442 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220237910 845174674 /nfs/dbraw/zinc/17/46/74/845174674.db2.gz HOBDXGPRUIRBDF-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220254184 845178392 /nfs/dbraw/zinc/17/83/92/845178392.db2.gz MCPIEYHYCNTXDG-IHRRRGAJSA-N 2 1 353.467 -0.959 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220254185 845179333 /nfs/dbraw/zinc/17/93/33/845179333.db2.gz MCPIEYHYCNTXDG-MJBXVCDLSA-N 2 1 353.467 -0.959 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220268702 845182033 /nfs/dbraw/zinc/18/20/33/845182033.db2.gz FPKXIKFZSXQSPA-BBWFWOEESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220268703 845182106 /nfs/dbraw/zinc/18/21/06/845182106.db2.gz FPKXIKFZSXQSPA-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220269221 845183034 /nfs/dbraw/zinc/18/30/34/845183034.db2.gz SZVCWLDXTILYIO-BBWFWOEESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220269221 845183027 /nfs/dbraw/zinc/18/30/27/845183027.db2.gz SZVCWLDXTILYIO-BBWFWOEESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220269222 845183371 /nfs/dbraw/zinc/18/33/71/845183371.db2.gz SZVCWLDXTILYIO-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220269222 845183368 /nfs/dbraw/zinc/18/33/68/845183368.db2.gz SZVCWLDXTILYIO-ZACQAIPSSA-N 2 1 355.479 -0.315 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269263 845182951 /nfs/dbraw/zinc/18/29/51/845182951.db2.gz USXMXJQURRUSON-BBWFWOEESA-N 2 1 357.495 -0.477 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269266 845183114 /nfs/dbraw/zinc/18/31/14/845183114.db2.gz USXMXJQURRUSON-ZACQAIPSSA-N 2 1 357.495 -0.477 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269420 845183088 /nfs/dbraw/zinc/18/30/88/845183088.db2.gz ZBVAWPFERLYMJX-UPJWGTAASA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269420 845183084 /nfs/dbraw/zinc/18/30/84/845183084.db2.gz ZBVAWPFERLYMJX-UPJWGTAASA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269421 845183166 /nfs/dbraw/zinc/18/31/66/845183166.db2.gz ZBVAWPFERLYMJX-XQQFMLRXSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269421 845183162 /nfs/dbraw/zinc/18/31/62/845183162.db2.gz ZBVAWPFERLYMJX-XQQFMLRXSA-N 2 1 353.385 -0.197 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2cccs2)C[C@@H]1O ZINC001220273790 845184080 /nfs/dbraw/zinc/18/40/80/845184080.db2.gz SKSOLJBEZGWYPH-BMFZPTHFSA-N 2 1 371.503 -0.261 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2cccs2)C[C@@H]1O ZINC001220273791 845184423 /nfs/dbraw/zinc/18/44/23/845184423.db2.gz SKSOLJBEZGWYPH-IMJJTQAJSA-N 2 1 371.503 -0.261 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1O ZINC001220273799 845184665 /nfs/dbraw/zinc/18/46/65/845184665.db2.gz SUCOWRMBHZAMEF-BMFZPTHFSA-N 2 1 355.435 -0.730 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]1O ZINC001220273800 845184435 /nfs/dbraw/zinc/18/44/35/845184435.db2.gz SUCOWRMBHZAMEF-IMJJTQAJSA-N 2 1 355.435 -0.730 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220275316 845185656 /nfs/dbraw/zinc/18/56/56/845185656.db2.gz UCMFVTGDQWNRJY-MNOVXSKESA-N 2 1 354.373 -0.832 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@@H]1O ZINC001220276693 845186455 /nfs/dbraw/zinc/18/64/55/845186455.db2.gz ILASNOCXEXSKLA-OLZOCXBDSA-N 2 1 353.471 -0.916 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@@H]1O ZINC001220276693 845186449 /nfs/dbraw/zinc/18/64/49/845186449.db2.gz ILASNOCXEXSKLA-OLZOCXBDSA-N 2 1 353.471 -0.916 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220277034 845185754 /nfs/dbraw/zinc/18/57/54/845185754.db2.gz POIIINUDKRUUDW-TUAOUCFPSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220277035 845186473 /nfs/dbraw/zinc/18/64/73/845186473.db2.gz POIIINUDKRUUDW-UTUOFQBUSA-N 2 1 357.373 -0.961 20 0 FBADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277108 845185678 /nfs/dbraw/zinc/18/56/78/845185678.db2.gz QTAASRKAMBOTEN-IKGGRYGDSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277108 845185674 /nfs/dbraw/zinc/18/56/74/845185674.db2.gz QTAASRKAMBOTEN-IKGGRYGDSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277109 845185568 /nfs/dbraw/zinc/18/55/68/845185568.db2.gz QTAASRKAMBOTEN-ZACQAIPSSA-N 2 1 351.447 -0.158 20 0 FBADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277109 845185565 /nfs/dbraw/zinc/18/55/65/845185565.db2.gz QTAASRKAMBOTEN-ZACQAIPSSA-N 2 1 351.447 -0.158 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001220277145 845186981 /nfs/dbraw/zinc/18/69/81/845186981.db2.gz SGRTXDLBOMAJOQ-OIISXLGYSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001220277145 845186969 /nfs/dbraw/zinc/18/69/69/845186969.db2.gz SGRTXDLBOMAJOQ-OIISXLGYSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001220277146 845187480 /nfs/dbraw/zinc/18/74/80/845187480.db2.gz SGRTXDLBOMAJOQ-UAGQMJEPSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001220277146 845187475 /nfs/dbraw/zinc/18/74/75/845187475.db2.gz SGRTXDLBOMAJOQ-UAGQMJEPSA-N 2 1 351.447 -0.461 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220277276 845187354 /nfs/dbraw/zinc/18/73/54/845187354.db2.gz UTHZHQGCLYFKHB-BBWFWOEESA-N 2 1 353.438 -0.158 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220277279 845187092 /nfs/dbraw/zinc/18/70/92/845187092.db2.gz UTHZHQGCLYFKHB-ZACQAIPSSA-N 2 1 353.438 -0.158 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220290338 845189844 /nfs/dbraw/zinc/18/98/44/845189844.db2.gz WGCGPJDBCUUQKG-HLLBOEOZSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220290338 845189839 /nfs/dbraw/zinc/18/98/39/845189839.db2.gz WGCGPJDBCUUQKG-HLLBOEOZSA-N 2 1 354.495 -0.254 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220296909 845191272 /nfs/dbraw/zinc/19/12/72/845191272.db2.gz ATNNLJFBPDTTJA-OWCLPIDISA-N 2 1 352.483 -0.358 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220296909 845191266 /nfs/dbraw/zinc/19/12/66/845191266.db2.gz ATNNLJFBPDTTJA-OWCLPIDISA-N 2 1 352.483 -0.358 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220296917 845191139 /nfs/dbraw/zinc/19/11/39/845191139.db2.gz BJHSZNQBJONLJP-HLLBOEOZSA-N 2 1 350.463 -0.367 20 0 FBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001220303946 845194272 /nfs/dbraw/zinc/19/42/72/845194272.db2.gz JTTHRBWVBCCJRD-HNNXBMFYSA-N 2 1 372.535 -0.846 20 0 FBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001220303947 845193525 /nfs/dbraw/zinc/19/35/25/845193525.db2.gz JTTHRBWVBCCJRD-OAHLLOKOSA-N 2 1 372.535 -0.846 20 0 FBADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCN2CCC[N@@H+](C)CC2)COC1(C)C ZINC001220307122 845193480 /nfs/dbraw/zinc/19/34/80/845193480.db2.gz SFLZWPKMXVUNFM-KBPBESRZSA-N 2 1 355.483 -0.949 20 0 FBADMP CN1C[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315105 845196689 /nfs/dbraw/zinc/19/66/89/845196689.db2.gz AACODUBESJSURM-DAYGRLMNSA-N 2 1 352.479 -0.534 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315105 845196681 /nfs/dbraw/zinc/19/66/81/845196681.db2.gz AACODUBESJSURM-DAYGRLMNSA-N 3 1 352.479 -0.534 20 0 FBADMP CN1C[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315106 845196710 /nfs/dbraw/zinc/19/67/10/845196710.db2.gz AACODUBESJSURM-HDMKZQKVSA-N 2 1 352.479 -0.534 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315106 845196706 /nfs/dbraw/zinc/19/67/06/845196706.db2.gz AACODUBESJSURM-HDMKZQKVSA-N 3 1 352.479 -0.534 20 0 FBADMP CN1C[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315107 845196947 /nfs/dbraw/zinc/19/69/47/845196947.db2.gz AACODUBESJSURM-IIDMSEBBSA-N 2 1 352.479 -0.534 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315107 845196942 /nfs/dbraw/zinc/19/69/42/845196942.db2.gz AACODUBESJSURM-IIDMSEBBSA-N 3 1 352.479 -0.534 20 0 FBADMP CN1C[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315108 845196505 /nfs/dbraw/zinc/19/65/05/845196505.db2.gz AACODUBESJSURM-RKVPGOIHSA-N 2 1 352.479 -0.534 20 0 FBADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315108 845196497 /nfs/dbraw/zinc/19/64/97/845196497.db2.gz AACODUBESJSURM-RKVPGOIHSA-N 3 1 352.479 -0.534 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336484 845205824 /nfs/dbraw/zinc/20/58/24/845205824.db2.gz XKMUXVWIQZKWON-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336484 845205815 /nfs/dbraw/zinc/20/58/15/845205815.db2.gz XKMUXVWIQZKWON-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336485 845205886 /nfs/dbraw/zinc/20/58/86/845205886.db2.gz XKMUXVWIQZKWON-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336485 845205879 /nfs/dbraw/zinc/20/58/79/845205879.db2.gz XKMUXVWIQZKWON-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345513 845208489 /nfs/dbraw/zinc/20/84/89/845208489.db2.gz YPXJGUKSPYSCMK-ILXRZTDVSA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345513 845208486 /nfs/dbraw/zinc/20/84/86/845208486.db2.gz YPXJGUKSPYSCMK-ILXRZTDVSA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345514 845208723 /nfs/dbraw/zinc/20/87/23/845208723.db2.gz YPXJGUKSPYSCMK-KFWWJZLASA-N 2 1 355.483 -0.707 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345514 845208714 /nfs/dbraw/zinc/20/87/14/845208714.db2.gz YPXJGUKSPYSCMK-KFWWJZLASA-N 2 1 355.483 -0.707 20 0 FBADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355485 845212452 /nfs/dbraw/zinc/21/24/52/845212452.db2.gz RLQDQMNZOMBYCV-JKIFEVAISA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355485 845212446 /nfs/dbraw/zinc/21/24/46/845212446.db2.gz RLQDQMNZOMBYCV-JKIFEVAISA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355485 845212437 /nfs/dbraw/zinc/21/24/37/845212437.db2.gz RLQDQMNZOMBYCV-JKIFEVAISA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355485 845212433 /nfs/dbraw/zinc/21/24/33/845212433.db2.gz RLQDQMNZOMBYCV-JKIFEVAISA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355486 845211638 /nfs/dbraw/zinc/21/16/38/845211638.db2.gz RLQDQMNZOMBYCV-KEYYUXOJSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355486 845211627 /nfs/dbraw/zinc/21/16/27/845211627.db2.gz RLQDQMNZOMBYCV-KEYYUXOJSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355486 845211620 /nfs/dbraw/zinc/21/16/20/845211620.db2.gz RLQDQMNZOMBYCV-KEYYUXOJSA-N 2 1 361.458 -0.631 20 0 FBADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355486 845211605 /nfs/dbraw/zinc/21/16/05/845211605.db2.gz RLQDQMNZOMBYCV-KEYYUXOJSA-N 2 1 361.458 -0.631 20 0 FBADMP CN1CCC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366965 845216845 /nfs/dbraw/zinc/21/68/45/845216845.db2.gz HUYCXVYVMXLIBP-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366965 845216834 /nfs/dbraw/zinc/21/68/34/845216834.db2.gz HUYCXVYVMXLIBP-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366965 845216832 /nfs/dbraw/zinc/21/68/32/845216832.db2.gz HUYCXVYVMXLIBP-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366965 845216820 /nfs/dbraw/zinc/21/68/20/845216820.db2.gz HUYCXVYVMXLIBP-ILXRZTDVSA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366966 845215971 /nfs/dbraw/zinc/21/59/71/845215971.db2.gz HUYCXVYVMXLIBP-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366966 845215965 /nfs/dbraw/zinc/21/59/65/845215965.db2.gz HUYCXVYVMXLIBP-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366966 845215962 /nfs/dbraw/zinc/21/59/62/845215962.db2.gz HUYCXVYVMXLIBP-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220366966 845215955 /nfs/dbraw/zinc/21/59/55/845215955.db2.gz HUYCXVYVMXLIBP-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220380136 845222671 /nfs/dbraw/zinc/22/26/71/845222671.db2.gz RFTYSGDFGQVHKN-PMPSAXMXSA-N 2 1 352.483 -0.050 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429631 845241613 /nfs/dbraw/zinc/24/16/13/845241613.db2.gz VTEOHRGTHPNOCS-QLPKVWCKSA-N 2 1 366.487 -0.547 20 0 FBADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478699 845264288 /nfs/dbraw/zinc/26/42/88/845264288.db2.gz HSLJEGKFXWEORP-OAGGEKHMSA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478699 845264277 /nfs/dbraw/zinc/26/42/77/845264277.db2.gz HSLJEGKFXWEORP-OAGGEKHMSA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478700 845262951 /nfs/dbraw/zinc/26/29/51/845262951.db2.gz HSLJEGKFXWEORP-PMPSAXMXSA-N 2 1 354.495 -0.076 20 0 FBADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478700 845262941 /nfs/dbraw/zinc/26/29/41/845262941.db2.gz HSLJEGKFXWEORP-PMPSAXMXSA-N 2 1 354.495 -0.076 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480298 845265231 /nfs/dbraw/zinc/26/52/31/845265231.db2.gz RRBCUBRGVHOXEG-KFWWJZLASA-N 2 1 354.451 -0.435 20 0 FBADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480298 845265217 /nfs/dbraw/zinc/26/52/17/845265217.db2.gz RRBCUBRGVHOXEG-KFWWJZLASA-N 2 1 354.451 -0.435 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480299 845265455 /nfs/dbraw/zinc/26/54/55/845265455.db2.gz RRBCUBRGVHOXEG-ZNMIVQPWSA-N 2 1 354.451 -0.435 20 0 FBADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480299 845265446 /nfs/dbraw/zinc/26/54/46/845265446.db2.gz RRBCUBRGVHOXEG-ZNMIVQPWSA-N 2 1 354.451 -0.435 20 0 FBADMP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220490009 845267698 /nfs/dbraw/zinc/26/76/98/845267698.db2.gz PGCKWPFKQCKBRT-INIZCTEOSA-N 2 1 368.503 -0.153 20 0 FBADMP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220490009 845267687 /nfs/dbraw/zinc/26/76/87/845267687.db2.gz PGCKWPFKQCKBRT-INIZCTEOSA-N 2 1 368.503 -0.153 20 0 FBADMP CCS(=O)(=O)c1ccc(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220490010 845267835 /nfs/dbraw/zinc/26/78/35/845267835.db2.gz PGCKWPFKQCKBRT-MRXNPFEDSA-N 2 1 368.503 -0.153 20 0 FBADMP CCS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220490010 845267828 /nfs/dbraw/zinc/26/78/28/845267828.db2.gz PGCKWPFKQCKBRT-MRXNPFEDSA-N 2 1 368.503 -0.153 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516854 845279150 /nfs/dbraw/zinc/27/91/50/845279150.db2.gz HZGRZHYPTJALNI-BMFZPTHFSA-N 2 1 353.467 -0.619 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516855 845279092 /nfs/dbraw/zinc/27/90/92/845279092.db2.gz HZGRZHYPTJALNI-IMJJTQAJSA-N 2 1 353.467 -0.619 20 0 FBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516999 845279458 /nfs/dbraw/zinc/27/94/58/845279458.db2.gz PYTXFUWGSUECDM-CVEARBPZSA-N 2 1 353.467 -0.355 20 0 FBADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516999 845279452 /nfs/dbraw/zinc/27/94/52/845279452.db2.gz PYTXFUWGSUECDM-CVEARBPZSA-N 2 1 353.467 -0.355 20 0 FBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517044 845279267 /nfs/dbraw/zinc/27/92/67/845279267.db2.gz SLGMJWKTCGOYPG-CVEARBPZSA-N 2 1 353.467 -0.354 20 0 FBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517102 845278539 /nfs/dbraw/zinc/27/85/39/845278539.db2.gz WFWFEIZQXHJNFA-CVEARBPZSA-N 2 1 353.467 -0.354 20 0 FBADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cc1 ZINC001220545749 845291436 /nfs/dbraw/zinc/29/14/36/845291436.db2.gz MEDSBKLXLWMFRN-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cc1 ZINC001220545749 845291422 /nfs/dbraw/zinc/29/14/22/845291422.db2.gz MEDSBKLXLWMFRN-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545944 845291112 /nfs/dbraw/zinc/29/11/12/845291112.db2.gz WIMMTKALQAVQQD-BBWFWOEESA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545945 845291983 /nfs/dbraw/zinc/29/19/83/845291983.db2.gz WIMMTKALQAVQQD-ZACQAIPSSA-N 2 1 351.447 -0.470 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220548033 845292836 /nfs/dbraw/zinc/29/28/36/845292836.db2.gz SZLNUWJYVBZBPC-BBWFWOEESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220548033 845292831 /nfs/dbraw/zinc/29/28/31/845292831.db2.gz SZLNUWJYVBZBPC-BBWFWOEESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220548034 845294001 /nfs/dbraw/zinc/29/40/01/845294001.db2.gz SZLNUWJYVBZBPC-ZACQAIPSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220548034 845293993 /nfs/dbraw/zinc/29/39/93/845293993.db2.gz SZLNUWJYVBZBPC-ZACQAIPSSA-N 2 1 355.479 -0.313 20 0 FBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548059 845293743 /nfs/dbraw/zinc/29/37/43/845293743.db2.gz UUOUWRGHRDWHES-BBWFWOEESA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548059 845293733 /nfs/dbraw/zinc/29/37/33/845293733.db2.gz UUOUWRGHRDWHES-BBWFWOEESA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548060 845292725 /nfs/dbraw/zinc/29/27/25/845292725.db2.gz UUOUWRGHRDWHES-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548060 845292716 /nfs/dbraw/zinc/29/27/16/845292716.db2.gz UUOUWRGHRDWHES-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553363 845295448 /nfs/dbraw/zinc/29/54/48/845295448.db2.gz GGIBJZCIXVLHFG-BACDZXNISA-N 2 1 355.479 -0.315 20 0 FBADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553363 845295437 /nfs/dbraw/zinc/29/54/37/845295437.db2.gz GGIBJZCIXVLHFG-BACDZXNISA-N 2 1 355.479 -0.315 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220553398 845295321 /nfs/dbraw/zinc/29/53/21/845295321.db2.gz ILHJOTAJOYBHTP-BBWFWOEESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220553398 845295308 /nfs/dbraw/zinc/29/53/08/845295308.db2.gz ILHJOTAJOYBHTP-BBWFWOEESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220553399 845295009 /nfs/dbraw/zinc/29/50/09/845295009.db2.gz ILHJOTAJOYBHTP-ZACQAIPSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220553399 845295001 /nfs/dbraw/zinc/29/50/01/845295001.db2.gz ILHJOTAJOYBHTP-ZACQAIPSSA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220553614 845295211 /nfs/dbraw/zinc/29/52/11/845295211.db2.gz MWYAFLWWCNXTFT-SJORKVTESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220553614 845295206 /nfs/dbraw/zinc/29/52/06/845295206.db2.gz MWYAFLWWCNXTFT-SJORKVTESA-N 2 1 355.479 -0.313 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220553671 845295112 /nfs/dbraw/zinc/29/51/12/845295112.db2.gz OYPIYCDYOARHOO-BBWFWOEESA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220553671 845295103 /nfs/dbraw/zinc/29/51/03/845295103.db2.gz OYPIYCDYOARHOO-BBWFWOEESA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220553672 845295634 /nfs/dbraw/zinc/29/56/34/845295634.db2.gz OYPIYCDYOARHOO-ZACQAIPSSA-N 2 1 355.479 -0.171 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220553672 845295628 /nfs/dbraw/zinc/29/56/28/845295628.db2.gz OYPIYCDYOARHOO-ZACQAIPSSA-N 2 1 355.479 -0.171 20 0 FBADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553772 845296649 /nfs/dbraw/zinc/29/66/49/845296649.db2.gz SGJYAMJSODGJFQ-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553772 845296644 /nfs/dbraw/zinc/29/66/44/845296644.db2.gz SGJYAMJSODGJFQ-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553773 845296738 /nfs/dbraw/zinc/29/67/38/845296738.db2.gz SGJYAMJSODGJFQ-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553773 845296729 /nfs/dbraw/zinc/29/67/29/845296729.db2.gz SGJYAMJSODGJFQ-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553890 845296591 /nfs/dbraw/zinc/29/65/91/845296591.db2.gz WOYCFIXKQDJPOV-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553890 845296582 /nfs/dbraw/zinc/29/65/82/845296582.db2.gz WOYCFIXKQDJPOV-IKGGRYGDSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553891 845296901 /nfs/dbraw/zinc/29/69/01/845296901.db2.gz WOYCFIXKQDJPOV-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553891 845296893 /nfs/dbraw/zinc/29/68/93/845296893.db2.gz WOYCFIXKQDJPOV-IXDOHACOSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553899 845296957 /nfs/dbraw/zinc/29/69/57/845296957.db2.gz XEGAWHGYUNUPFJ-OAGGEKHMSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553899 845296944 /nfs/dbraw/zinc/29/69/44/845296944.db2.gz XEGAWHGYUNUPFJ-OAGGEKHMSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553900 845297093 /nfs/dbraw/zinc/29/70/93/845297093.db2.gz XEGAWHGYUNUPFJ-XHSDSOJGSA-N 2 1 355.479 -0.315 20 0 FBADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220553900 845297082 /nfs/dbraw/zinc/29/70/82/845297082.db2.gz XEGAWHGYUNUPFJ-XHSDSOJGSA-N 2 1 355.479 -0.315 20 0 FBADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220568255 845303874 /nfs/dbraw/zinc/30/38/74/845303874.db2.gz DDVCJCHXFPPXQQ-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220568255 845303868 /nfs/dbraw/zinc/30/38/68/845303868.db2.gz DDVCJCHXFPPXQQ-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220568255 845303859 /nfs/dbraw/zinc/30/38/59/845303859.db2.gz DDVCJCHXFPPXQQ-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220568255 845303846 /nfs/dbraw/zinc/30/38/46/845303846.db2.gz DDVCJCHXFPPXQQ-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C(C)C ZINC001220575023 845306890 /nfs/dbraw/zinc/30/68/90/845306890.db2.gz NHNRKYMGEDTNAE-OWCLPIDISA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C(C)C ZINC001220575023 845306881 /nfs/dbraw/zinc/30/68/81/845306881.db2.gz NHNRKYMGEDTNAE-OWCLPIDISA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C(C)C ZINC001220575024 845305994 /nfs/dbraw/zinc/30/59/94/845305994.db2.gz NHNRKYMGEDTNAE-PMPSAXMXSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C(C)C ZINC001220575024 845305989 /nfs/dbraw/zinc/30/59/89/845305989.db2.gz NHNRKYMGEDTNAE-PMPSAXMXSA-N 2 1 352.483 -0.194 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220583184 845309256 /nfs/dbraw/zinc/30/92/56/845309256.db2.gz RKAHTEPPIBAXRX-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220583189 845309958 /nfs/dbraw/zinc/30/99/58/845309958.db2.gz RKAHTEPPIBAXRX-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220584787 845309344 /nfs/dbraw/zinc/30/93/44/845309344.db2.gz JTBDOCKJQYYUKK-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001220637304 845324134 /nfs/dbraw/zinc/32/41/34/845324134.db2.gz BEKKGHGTCPHTEY-CVEARBPZSA-N 2 1 368.503 -0.042 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001220637304 845324126 /nfs/dbraw/zinc/32/41/26/845324126.db2.gz BEKKGHGTCPHTEY-CVEARBPZSA-N 2 1 368.503 -0.042 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220637309 845325857 /nfs/dbraw/zinc/32/58/57/845325857.db2.gz BGVGRRVRLXPHOZ-CVEARBPZSA-N 2 1 351.451 -0.845 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220637309 845325846 /nfs/dbraw/zinc/32/58/46/845325846.db2.gz BGVGRRVRLXPHOZ-CVEARBPZSA-N 2 1 351.451 -0.845 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001220637531 845325744 /nfs/dbraw/zinc/32/57/44/845325744.db2.gz GEQILQFCDGQMRD-SJORKVTESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220637811 845325785 /nfs/dbraw/zinc/32/57/85/845325785.db2.gz NDJKQZLZRNPOPL-BBWFWOEESA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220637812 845325651 /nfs/dbraw/zinc/32/56/51/845325651.db2.gz NDJKQZLZRNPOPL-ZACQAIPSSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220638152 845325985 /nfs/dbraw/zinc/32/59/85/845325985.db2.gz UNEMHLXKTGHFMV-SJORKVTESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220638152 845325979 /nfs/dbraw/zinc/32/59/79/845325979.db2.gz UNEMHLXKTGHFMV-SJORKVTESA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220642502 845327395 /nfs/dbraw/zinc/32/73/95/845327395.db2.gz FDDOWCATHDXKKA-OIISXLGYSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220642503 845326932 /nfs/dbraw/zinc/32/69/32/845326932.db2.gz FDDOWCATHDXKKA-UAGQMJEPSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642703 845327695 /nfs/dbraw/zinc/32/76/95/845327695.db2.gz JMVINZVBGXGVLV-OIISXLGYSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642704 845327026 /nfs/dbraw/zinc/32/70/26/845327026.db2.gz JMVINZVBGXGVLV-UAGQMJEPSA-N 2 1 355.479 -0.315 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220642863 845327210 /nfs/dbraw/zinc/32/72/10/845327210.db2.gz MQTQHTHWKGJADJ-KGLIPLIRSA-N 2 1 365.421 -0.460 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220642863 845327197 /nfs/dbraw/zinc/32/71/97/845327197.db2.gz MQTQHTHWKGJADJ-KGLIPLIRSA-N 2 1 365.421 -0.460 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)CC1 ZINC001220642954 845326765 /nfs/dbraw/zinc/32/67/65/845326765.db2.gz OTOQMDFAJBBAER-SJORKVTESA-N 2 1 355.479 -0.172 20 0 FBADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643211 845327537 /nfs/dbraw/zinc/32/75/37/845327537.db2.gz VNJQAXCPYLDZPD-SJORKVTESA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643211 845327529 /nfs/dbraw/zinc/32/75/29/845327529.db2.gz VNJQAXCPYLDZPD-SJORKVTESA-N 2 1 357.495 -0.069 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643281 845327172 /nfs/dbraw/zinc/32/71/72/845327172.db2.gz YJWNWELZGKLUTB-OIISXLGYSA-N 2 1 355.479 -0.172 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643282 845327436 /nfs/dbraw/zinc/32/74/36/845327436.db2.gz YJWNWELZGKLUTB-UAGQMJEPSA-N 2 1 355.479 -0.172 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667599 845340190 /nfs/dbraw/zinc/34/01/90/845340190.db2.gz MLXFYTRLRGDLED-SJORKVTESA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667599 845340186 /nfs/dbraw/zinc/34/01/86/845340186.db2.gz MLXFYTRLRGDLED-SJORKVTESA-N 2 1 357.495 -0.069 20 0 FBADMP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220683493 845345268 /nfs/dbraw/zinc/34/52/68/845345268.db2.gz NZBKGGOFOPFRQP-AWEZNQCLSA-N 2 1 354.476 -0.543 20 0 FBADMP CS(=O)(=O)c1ccccc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220683494 845345592 /nfs/dbraw/zinc/34/55/92/845345592.db2.gz NZBKGGOFOPFRQP-CQSZACIVSA-N 2 1 354.476 -0.543 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347925 /nfs/dbraw/zinc/34/79/25/845347925.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347916 /nfs/dbraw/zinc/34/79/16/845347916.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347903 /nfs/dbraw/zinc/34/79/03/845347903.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220688467 845348404 /nfs/dbraw/zinc/34/84/04/845348404.db2.gz HSZSIHOGAPYXBL-NEPJUHHUSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220688467 845348396 /nfs/dbraw/zinc/34/83/96/845348396.db2.gz HSZSIHOGAPYXBL-NEPJUHHUSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220688467 845348388 /nfs/dbraw/zinc/34/83/88/845348388.db2.gz HSZSIHOGAPYXBL-NEPJUHHUSA-N 2 1 368.400 -0.442 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688508 845348182 /nfs/dbraw/zinc/34/81/82/845348182.db2.gz JFLSTDFLABMFPU-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688508 845348178 /nfs/dbraw/zinc/34/81/78/845348178.db2.gz JFLSTDFLABMFPU-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688508 845348171 /nfs/dbraw/zinc/34/81/71/845348171.db2.gz JFLSTDFLABMFPU-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688509 845348308 /nfs/dbraw/zinc/34/83/08/845348308.db2.gz JFLSTDFLABMFPU-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688509 845348292 /nfs/dbraw/zinc/34/82/92/845348292.db2.gz JFLSTDFLABMFPU-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688509 845348279 /nfs/dbraw/zinc/34/82/79/845348279.db2.gz JFLSTDFLABMFPU-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220688936 845346929 /nfs/dbraw/zinc/34/69/29/845346929.db2.gz WQFSRGXFNBHYEP-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220688936 845346925 /nfs/dbraw/zinc/34/69/25/845346925.db2.gz WQFSRGXFNBHYEP-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220688936 845346914 /nfs/dbraw/zinc/34/69/14/845346914.db2.gz WQFSRGXFNBHYEP-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220688936 845346908 /nfs/dbraw/zinc/34/69/08/845346908.db2.gz WQFSRGXFNBHYEP-KGLIPLIRSA-N 2 1 357.499 -0.413 20 0 FBADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220726114 845364539 /nfs/dbraw/zinc/36/45/39/845364539.db2.gz JWRMUTGIUPVRIX-IKGGRYGDSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220726114 845364534 /nfs/dbraw/zinc/36/45/34/845364534.db2.gz JWRMUTGIUPVRIX-IKGGRYGDSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220726114 845364529 /nfs/dbraw/zinc/36/45/29/845364529.db2.gz JWRMUTGIUPVRIX-IKGGRYGDSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220726114 845364519 /nfs/dbraw/zinc/36/45/19/845364519.db2.gz JWRMUTGIUPVRIX-IKGGRYGDSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220726115 845364777 /nfs/dbraw/zinc/36/47/77/845364777.db2.gz JWRMUTGIUPVRIX-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220726115 845364764 /nfs/dbraw/zinc/36/47/64/845364764.db2.gz JWRMUTGIUPVRIX-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220726115 845364756 /nfs/dbraw/zinc/36/47/56/845364756.db2.gz JWRMUTGIUPVRIX-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220726115 845364743 /nfs/dbraw/zinc/36/47/43/845364743.db2.gz JWRMUTGIUPVRIX-ZACQAIPSSA-N 2 1 357.495 -0.189 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728344 845364485 /nfs/dbraw/zinc/36/44/85/845364485.db2.gz IAWIMFVDXZHABO-BBWFWOEESA-N 2 1 355.479 -0.723 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728345 845364348 /nfs/dbraw/zinc/36/43/48/845364348.db2.gz IAWIMFVDXZHABO-ZACQAIPSSA-N 2 1 355.479 -0.723 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001220728615 845366198 /nfs/dbraw/zinc/36/61/98/845366198.db2.gz SMXUQCMNPBJARH-SJORKVTESA-N 2 1 355.479 -0.721 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001220728615 845366191 /nfs/dbraw/zinc/36/61/91/845366191.db2.gz SMXUQCMNPBJARH-SJORKVTESA-N 2 1 355.479 -0.721 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755134 845376682 /nfs/dbraw/zinc/37/66/82/845376682.db2.gz DHQYWCIIJPYXQF-KFWWJZLASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755134 845376671 /nfs/dbraw/zinc/37/66/71/845376671.db2.gz DHQYWCIIJPYXQF-KFWWJZLASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755134 845376661 /nfs/dbraw/zinc/37/66/61/845376661.db2.gz DHQYWCIIJPYXQF-KFWWJZLASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755134 845376649 /nfs/dbraw/zinc/37/66/49/845376649.db2.gz DHQYWCIIJPYXQF-KFWWJZLASA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755135 845376297 /nfs/dbraw/zinc/37/62/97/845376297.db2.gz DHQYWCIIJPYXQF-ZNMIVQPWSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755135 845376292 /nfs/dbraw/zinc/37/62/92/845376292.db2.gz DHQYWCIIJPYXQF-ZNMIVQPWSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755135 845376281 /nfs/dbraw/zinc/37/62/81/845376281.db2.gz DHQYWCIIJPYXQF-ZNMIVQPWSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755135 845376273 /nfs/dbraw/zinc/37/62/73/845376273.db2.gz DHQYWCIIJPYXQF-ZNMIVQPWSA-N 2 1 355.483 -0.803 20 0 FBADMP CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220761042 845382350 /nfs/dbraw/zinc/38/23/50/845382350.db2.gz YHNAPXIQBOQPOV-WZHBMTCRSA-N 2 1 356.423 -0.588 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220764127 845383281 /nfs/dbraw/zinc/38/32/81/845383281.db2.gz ABUVYXPKFCKFKI-OLZOCXBDSA-N 2 1 371.400 -0.305 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001220764543 845384500 /nfs/dbraw/zinc/38/45/00/845384500.db2.gz OIQOCCMACOSOSN-SJORKVTESA-N 2 1 351.447 -0.195 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001220764543 845384495 /nfs/dbraw/zinc/38/44/95/845384495.db2.gz OIQOCCMACOSOSN-SJORKVTESA-N 2 1 351.447 -0.195 20 0 FBADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768226 845384658 /nfs/dbraw/zinc/38/46/58/845384658.db2.gz BFISPHSCMADTJG-CVEARBPZSA-N 2 1 353.467 -0.761 20 0 FBADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768226 845384651 /nfs/dbraw/zinc/38/46/51/845384651.db2.gz BFISPHSCMADTJG-CVEARBPZSA-N 2 1 353.467 -0.761 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001220768252 845384684 /nfs/dbraw/zinc/38/46/84/845384684.db2.gz CJOZKPYBKMYMME-SJORKVTESA-N 2 1 351.447 -0.582 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001220768252 845384674 /nfs/dbraw/zinc/38/46/74/845384674.db2.gz CJOZKPYBKMYMME-SJORKVTESA-N 2 1 351.447 -0.582 20 0 FBADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768262 845383882 /nfs/dbraw/zinc/38/38/82/845383882.db2.gz CUKBYBQWTSTNTG-KGLIPLIRSA-N 2 1 356.492 -0.266 20 0 FBADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)s1 ZINC001220768264 845384028 /nfs/dbraw/zinc/38/40/28/845384028.db2.gz CVZHBMRGACWEFR-KGLIPLIRSA-N 2 1 356.492 -0.001 20 0 FBADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)s1 ZINC001220768264 845384015 /nfs/dbraw/zinc/38/40/15/845384015.db2.gz CVZHBMRGACWEFR-KGLIPLIRSA-N 2 1 356.492 -0.001 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220768319 845384297 /nfs/dbraw/zinc/38/42/97/845384297.db2.gz GRCLHPIPCLLPHT-SJORKVTESA-N 2 1 357.495 -0.067 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220768376 845384195 /nfs/dbraw/zinc/38/41/95/845384195.db2.gz JEVHJTOOJGCDRP-ZACQAIPSSA-N 2 1 351.447 -0.541 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220768376 845384183 /nfs/dbraw/zinc/38/41/83/845384183.db2.gz JEVHJTOOJGCDRP-ZACQAIPSSA-N 2 1 351.447 -0.541 20 0 FBADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768410 845385636 /nfs/dbraw/zinc/38/56/36/845385636.db2.gz KKJRTMMYWIYLMX-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768411 845385180 /nfs/dbraw/zinc/38/51/80/845385180.db2.gz KKJRTMMYWIYLMX-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768446 845386196 /nfs/dbraw/zinc/38/61/96/845386196.db2.gz MDEJURLVCHEZKR-SJORKVTESA-N 2 1 351.447 -0.065 20 0 FBADMP COc1cccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768446 845386186 /nfs/dbraw/zinc/38/61/86/845386186.db2.gz MDEJURLVCHEZKR-SJORKVTESA-N 2 1 351.447 -0.065 20 0 FBADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768487 845385888 /nfs/dbraw/zinc/38/58/88/845385888.db2.gz OFXOTHLDRDRVHA-KGLIPLIRSA-N 2 1 355.439 -0.950 20 0 FBADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768487 845385886 /nfs/dbraw/zinc/38/58/86/845385886.db2.gz OFXOTHLDRDRVHA-KGLIPLIRSA-N 2 1 355.439 -0.950 20 0 FBADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768520 845385264 /nfs/dbraw/zinc/38/52/64/845385264.db2.gz PPRYGOUXLRDZPD-SJORKVTESA-N 2 1 351.447 -0.065 20 0 FBADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768520 845385253 /nfs/dbraw/zinc/38/52/53/845385253.db2.gz PPRYGOUXLRDZPD-SJORKVTESA-N 2 1 351.447 -0.065 20 0 FBADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220768564 845385311 /nfs/dbraw/zinc/38/53/11/845385311.db2.gz RESJPZDLRRLWKT-CVEARBPZSA-N 2 1 353.467 -0.815 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768575 845385836 /nfs/dbraw/zinc/38/58/36/845385836.db2.gz SCEVLAJKSIZIKS-IKGGRYGDSA-N 2 1 357.495 -0.333 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768576 845385050 /nfs/dbraw/zinc/38/50/50/845385050.db2.gz SCEVLAJKSIZIKS-ZACQAIPSSA-N 2 1 357.495 -0.333 20 0 FBADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220768648 845385100 /nfs/dbraw/zinc/38/51/00/845385100.db2.gz WTEUKCGEGAJLRS-CABCVRRESA-N 2 1 356.492 -0.266 20 0 FBADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220768648 845385087 /nfs/dbraw/zinc/38/50/87/845385087.db2.gz WTEUKCGEGAJLRS-CABCVRRESA-N 2 1 356.492 -0.266 20 0 FBADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)n1 ZINC001220768653 845385480 /nfs/dbraw/zinc/38/54/80/845385480.db2.gz WYGBSYQXZKPCQS-SJORKVTESA-N 2 1 350.463 -0.062 20 0 FBADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)n1 ZINC001220768653 845385469 /nfs/dbraw/zinc/38/54/69/845385469.db2.gz WYGBSYQXZKPCQS-SJORKVTESA-N 2 1 350.463 -0.062 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220768676 845386059 /nfs/dbraw/zinc/38/60/59/845386059.db2.gz YGCYBEMIHAIWFM-TUAOUCFPSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220768676 845386049 /nfs/dbraw/zinc/38/60/49/845386049.db2.gz YGCYBEMIHAIWFM-TUAOUCFPSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220768677 845385510 /nfs/dbraw/zinc/38/55/10/845385510.db2.gz YGCYBEMIHAIWFM-UTUOFQBUSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220768677 845385501 /nfs/dbraw/zinc/38/55/01/845385501.db2.gz YGCYBEMIHAIWFM-UTUOFQBUSA-N 2 1 357.373 -0.961 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001220768681 845385289 /nfs/dbraw/zinc/38/52/89/845385289.db2.gz YKCNTEWGDGLWEC-AGIUHOORSA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001220768681 845385284 /nfs/dbraw/zinc/38/52/84/845385284.db2.gz YKCNTEWGDGLWEC-AGIUHOORSA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001220768682 845385356 /nfs/dbraw/zinc/38/53/56/845385356.db2.gz YKCNTEWGDGLWEC-FRRDWIJNSA-N 2 1 351.394 -0.850 20 0 FBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001220768682 845385346 /nfs/dbraw/zinc/38/53/46/845385346.db2.gz YKCNTEWGDGLWEC-FRRDWIJNSA-N 2 1 351.394 -0.850 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771377 845387160 /nfs/dbraw/zinc/38/71/60/845387160.db2.gz QPXYOGQXZQLASG-TUAOUCFPSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771377 845387150 /nfs/dbraw/zinc/38/71/50/845387150.db2.gz QPXYOGQXZQLASG-TUAOUCFPSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771378 845387421 /nfs/dbraw/zinc/38/74/21/845387421.db2.gz QPXYOGQXZQLASG-UTUOFQBUSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771378 845387414 /nfs/dbraw/zinc/38/74/14/845387414.db2.gz QPXYOGQXZQLASG-UTUOFQBUSA-N 2 1 351.369 -0.443 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771437 845387174 /nfs/dbraw/zinc/38/71/74/845387174.db2.gz SUIZOHZAWNXQFZ-OAGGEKHMSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771438 845386986 /nfs/dbraw/zinc/38/69/86/845386986.db2.gz SUIZOHZAWNXQFZ-XHSDSOJGSA-N 2 1 353.463 -0.561 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771494 845387317 /nfs/dbraw/zinc/38/73/17/845387317.db2.gz WESPRNLZMMTQJJ-OAGGEKHMSA-N 2 1 355.479 -0.723 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771495 845386885 /nfs/dbraw/zinc/38/68/85/845386885.db2.gz WESPRNLZMMTQJJ-XHSDSOJGSA-N 2 1 355.479 -0.723 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771511 845387042 /nfs/dbraw/zinc/38/70/42/845387042.db2.gz WTTAUKNJAPCHRP-OAGGEKHMSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771511 845387037 /nfs/dbraw/zinc/38/70/37/845387037.db2.gz WTTAUKNJAPCHRP-OAGGEKHMSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771512 845386619 /nfs/dbraw/zinc/38/66/19/845386619.db2.gz WTTAUKNJAPCHRP-XHSDSOJGSA-N 2 1 353.463 -0.561 20 0 FBADMP O=C(N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771512 845386608 /nfs/dbraw/zinc/38/66/08/845386608.db2.gz WTTAUKNJAPCHRP-XHSDSOJGSA-N 2 1 353.463 -0.561 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220798761 845398327 /nfs/dbraw/zinc/39/83/27/845398327.db2.gz GOHKZRDIKSOHHX-KFWWJZLASA-N 2 1 350.467 -0.341 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220798762 845398082 /nfs/dbraw/zinc/39/80/82/845398082.db2.gz GOHKZRDIKSOHHX-ZNMIVQPWSA-N 2 1 350.467 -0.341 20 0 FBADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798812 845397595 /nfs/dbraw/zinc/39/75/95/845397595.db2.gz HLMWCYCYZLZUHB-BBWFWOEESA-N 2 1 359.511 -0.087 20 0 FBADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798814 845397788 /nfs/dbraw/zinc/39/77/88/845397788.db2.gz HLMWCYCYZLZUHB-ZACQAIPSSA-N 2 1 359.511 -0.087 20 0 FBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799260 845398436 /nfs/dbraw/zinc/39/84/36/845398436.db2.gz SZQXMZGAISOMHS-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799260 845398430 /nfs/dbraw/zinc/39/84/30/845398430.db2.gz SZQXMZGAISOMHS-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220801415 845397541 /nfs/dbraw/zinc/39/75/41/845397541.db2.gz FJLHOWYREVAKIH-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220802154 845398232 /nfs/dbraw/zinc/39/82/32/845398232.db2.gz QOYHLPRMDIBXOZ-OAGGEKHMSA-N 2 1 353.467 -0.863 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220802155 845398306 /nfs/dbraw/zinc/39/83/06/845398306.db2.gz QOYHLPRMDIBXOZ-XHSDSOJGSA-N 2 1 353.467 -0.863 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220802170 845398292 /nfs/dbraw/zinc/39/82/92/845398292.db2.gz RFSDEHZMXSPGPW-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220802170 845398287 /nfs/dbraw/zinc/39/82/87/845398287.db2.gz RFSDEHZMXSPGPW-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806908 845399575 /nfs/dbraw/zinc/39/95/75/845399575.db2.gz MCZFPRJOTRWCDT-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806908 845399568 /nfs/dbraw/zinc/39/95/68/845399568.db2.gz MCZFPRJOTRWCDT-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220807266 845399661 /nfs/dbraw/zinc/39/96/61/845399661.db2.gz SQVPNYZEUZQQRH-CVEARBPZSA-N 2 1 350.463 -0.222 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807616 845399609 /nfs/dbraw/zinc/39/96/09/845399609.db2.gz ZRVWGXHNMFYQSS-CVEARBPZSA-N 2 1 358.483 -0.968 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809272 845400693 /nfs/dbraw/zinc/40/06/93/845400693.db2.gz QOEJVDAXPUQJQP-OAGGEKHMSA-N 2 1 354.495 -0.204 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809273 845400805 /nfs/dbraw/zinc/40/08/05/845400805.db2.gz QOEJVDAXPUQJQP-XHSDSOJGSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220817094 845403783 /nfs/dbraw/zinc/40/37/83/845403783.db2.gz NIVRAFREBOICQS-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220817094 845403782 /nfs/dbraw/zinc/40/37/82/845403782.db2.gz NIVRAFREBOICQS-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220817094 845403779 /nfs/dbraw/zinc/40/37/79/845403779.db2.gz NIVRAFREBOICQS-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220817094 845403775 /nfs/dbraw/zinc/40/37/75/845403775.db2.gz NIVRAFREBOICQS-KGLIPLIRSA-N 2 1 354.451 -0.971 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220817095 845403085 /nfs/dbraw/zinc/40/30/85/845403085.db2.gz NNETXAKYUMDVMV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220817095 845403078 /nfs/dbraw/zinc/40/30/78/845403078.db2.gz NNETXAKYUMDVMV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220817095 845403071 /nfs/dbraw/zinc/40/30/71/845403071.db2.gz NNETXAKYUMDVMV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220817177 845403566 /nfs/dbraw/zinc/40/35/66/845403566.db2.gz NTUGMCQQESCTRI-BBWFWOEESA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220817177 845403559 /nfs/dbraw/zinc/40/35/59/845403559.db2.gz NTUGMCQQESCTRI-BBWFWOEESA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220817177 845403555 /nfs/dbraw/zinc/40/35/55/845403555.db2.gz NTUGMCQQESCTRI-BBWFWOEESA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220817178 845403915 /nfs/dbraw/zinc/40/39/15/845403915.db2.gz NTUGMCQQESCTRI-ZACQAIPSSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220817178 845403912 /nfs/dbraw/zinc/40/39/12/845403912.db2.gz NTUGMCQQESCTRI-ZACQAIPSSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220817178 845403909 /nfs/dbraw/zinc/40/39/09/845403909.db2.gz NTUGMCQQESCTRI-ZACQAIPSSA-N 2 1 359.511 -0.087 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817447 845403880 /nfs/dbraw/zinc/40/38/80/845403880.db2.gz WSQGBTOMPXSRED-OAGGEKHMSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817447 845403877 /nfs/dbraw/zinc/40/38/77/845403877.db2.gz WSQGBTOMPXSRED-OAGGEKHMSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817447 845403874 /nfs/dbraw/zinc/40/38/74/845403874.db2.gz WSQGBTOMPXSRED-OAGGEKHMSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817448 845403427 /nfs/dbraw/zinc/40/34/27/845403427.db2.gz WSQGBTOMPXSRED-XHSDSOJGSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817448 845403420 /nfs/dbraw/zinc/40/34/20/845403420.db2.gz WSQGBTOMPXSRED-XHSDSOJGSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817448 845403414 /nfs/dbraw/zinc/40/34/14/845403414.db2.gz WSQGBTOMPXSRED-XHSDSOJGSA-N 2 1 353.467 -0.863 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001220823852 845406310 /nfs/dbraw/zinc/40/63/10/845406310.db2.gz GANMOEHEPBVTDJ-CVEARBPZSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001220823852 845406305 /nfs/dbraw/zinc/40/63/05/845406305.db2.gz GANMOEHEPBVTDJ-CVEARBPZSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001220823852 845406300 /nfs/dbraw/zinc/40/63/00/845406300.db2.gz GANMOEHEPBVTDJ-CVEARBPZSA-N 2 1 350.463 -0.222 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220825760 845406225 /nfs/dbraw/zinc/40/62/25/845406225.db2.gz FWKZDIIRAVSDHU-CVEARBPZSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220825760 845406219 /nfs/dbraw/zinc/40/62/19/845406219.db2.gz FWKZDIIRAVSDHU-CVEARBPZSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220825760 845406212 /nfs/dbraw/zinc/40/62/12/845406212.db2.gz FWKZDIIRAVSDHU-CVEARBPZSA-N 2 1 358.483 -0.968 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825932 845406654 /nfs/dbraw/zinc/40/66/54/845406654.db2.gz KBEGZRDEASYLHH-KFWWJZLASA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825932 845406651 /nfs/dbraw/zinc/40/66/51/845406651.db2.gz KBEGZRDEASYLHH-KFWWJZLASA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825932 845406647 /nfs/dbraw/zinc/40/66/47/845406647.db2.gz KBEGZRDEASYLHH-KFWWJZLASA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825933 845408487 /nfs/dbraw/zinc/40/84/87/845408487.db2.gz KBEGZRDEASYLHH-ZNMIVQPWSA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825933 845408485 /nfs/dbraw/zinc/40/84/85/845408485.db2.gz KBEGZRDEASYLHH-ZNMIVQPWSA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825933 845408484 /nfs/dbraw/zinc/40/84/84/845408484.db2.gz KBEGZRDEASYLHH-ZNMIVQPWSA-N 2 1 350.467 -0.341 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001220826073 845407810 /nfs/dbraw/zinc/40/78/10/845407810.db2.gz LFNSTTNPJSZZAS-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001220826073 845407798 /nfs/dbraw/zinc/40/77/98/845407798.db2.gz LFNSTTNPJSZZAS-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001220826073 845407792 /nfs/dbraw/zinc/40/77/92/845407792.db2.gz LFNSTTNPJSZZAS-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001220826073 845407778 /nfs/dbraw/zinc/40/77/78/845407778.db2.gz LFNSTTNPJSZZAS-CVEARBPZSA-N 2 1 352.483 -0.212 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220826246 845408374 /nfs/dbraw/zinc/40/83/74/845408374.db2.gz UIPISYKRCVRVHY-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220826246 845408371 /nfs/dbraw/zinc/40/83/71/845408371.db2.gz UIPISYKRCVRVHY-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220826246 845408370 /nfs/dbraw/zinc/40/83/70/845408370.db2.gz UIPISYKRCVRVHY-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001220826246 845408369 /nfs/dbraw/zinc/40/83/69/845408369.db2.gz UIPISYKRCVRVHY-CABCVRRESA-N 2 1 357.499 -0.413 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407710 /nfs/dbraw/zinc/40/77/10/845407710.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407703 /nfs/dbraw/zinc/40/77/03/845407703.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407688 /nfs/dbraw/zinc/40/76/88/845407688.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408259 /nfs/dbraw/zinc/40/82/59/845408259.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408253 /nfs/dbraw/zinc/40/82/53/845408253.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 2 1 354.495 -0.204 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408249 /nfs/dbraw/zinc/40/82/49/845408249.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 2 1 354.495 -0.204 20 0 FBADMP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220827686 845408304 /nfs/dbraw/zinc/40/83/04/845408304.db2.gz XVGXHAHUVUYEIA-CYBMUJFWSA-N 3 1 350.463 -0.013 20 0 FBADMP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220827687 845408449 /nfs/dbraw/zinc/40/84/49/845408449.db2.gz XVGXHAHUVUYEIA-ZDUSSCGKSA-N 3 1 350.463 -0.013 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828874 845408323 /nfs/dbraw/zinc/40/83/23/845408323.db2.gz GOGMLAKLZBQLIV-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828874 845408320 /nfs/dbraw/zinc/40/83/20/845408320.db2.gz GOGMLAKLZBQLIV-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828874 845408315 /nfs/dbraw/zinc/40/83/15/845408315.db2.gz GOGMLAKLZBQLIV-UPJWGTAASA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828875 845407617 /nfs/dbraw/zinc/40/76/17/845407617.db2.gz GOGMLAKLZBQLIV-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828875 845407612 /nfs/dbraw/zinc/40/76/12/845407612.db2.gz GOGMLAKLZBQLIV-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828875 845407600 /nfs/dbraw/zinc/40/76/00/845407600.db2.gz GOGMLAKLZBQLIV-XQQFMLRXSA-N 2 1 371.400 -0.571 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220830805 845409769 /nfs/dbraw/zinc/40/97/69/845409769.db2.gz JBBPZTPLTBHXHI-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220830805 845409760 /nfs/dbraw/zinc/40/97/60/845409760.db2.gz JBBPZTPLTBHXHI-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220830805 845409751 /nfs/dbraw/zinc/40/97/51/845409751.db2.gz JBBPZTPLTBHXHI-CVEARBPZSA-N 2 1 352.483 -0.049 20 0 FBADMP N[C@@H](CSCC[NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871049 845421125 /nfs/dbraw/zinc/42/11/25/845421125.db2.gz RZDLAZJHTCXYGH-JTQLQIEISA-N 2 1 362.297 -0.231 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220872115 845421090 /nfs/dbraw/zinc/42/10/90/845421090.db2.gz KRHPUYAPDMUDGP-INIZCTEOSA-N 2 1 365.503 -0.368 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220872116 845420944 /nfs/dbraw/zinc/42/09/44/845420944.db2.gz KRHPUYAPDMUDGP-MRXNPFEDSA-N 2 1 365.503 -0.368 20 0 FBADMP [NH3+][C@@H]1CCCN([C@@H](C(=O)NCCN2CC[NH2+]CC2=O)c2ccsc2)C1 ZINC001220872320 845422190 /nfs/dbraw/zinc/42/21/90/845422190.db2.gz UFHURDISNBZUQY-GDBMZVCRSA-N 2 1 365.503 -0.240 20 0 FBADMP [NH3+][C@H]1CCCN([C@@H](C(=O)NCCN2CC[NH2+]CC2=O)c2ccsc2)C1 ZINC001220872321 845422925 /nfs/dbraw/zinc/42/29/25/845422925.db2.gz UFHURDISNBZUQY-GOEBONIOSA-N 2 1 365.503 -0.240 20 0 FBADMP [NH3+][C@H]1CCCN([C@H](C(=O)NCCN2CC[NH2+]CC2=O)c2ccsc2)C1 ZINC001220872322 845422333 /nfs/dbraw/zinc/42/23/33/845422333.db2.gz UFHURDISNBZUQY-HOCLYGCPSA-N 2 1 365.503 -0.240 20 0 FBADMP [NH3+][C@@H]1CCCN([C@H](C(=O)NCCN2CC[NH2+]CC2=O)c2ccsc2)C1 ZINC001220872323 845423055 /nfs/dbraw/zinc/42/30/55/845423055.db2.gz UFHURDISNBZUQY-ZBFHGGJFSA-N 2 1 365.503 -0.240 20 0 FBADMP COc1ccc(CSC[C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220875214 845422702 /nfs/dbraw/zinc/42/27/02/845422702.db2.gz XKUYIMFSISQXAQ-HNNXBMFYSA-N 2 1 366.487 -0.196 20 0 FBADMP CC(=O)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898619 845429493 /nfs/dbraw/zinc/42/94/93/845429493.db2.gz QFBTYPOHFVOYFW-HNNXBMFYSA-N 2 1 354.451 -0.530 20 0 FBADMP N[C@@H](CSCC[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900740 845429582 /nfs/dbraw/zinc/42/95/82/845429582.db2.gz OVWFZIWGTVQISG-HNNXBMFYSA-N 2 1 371.551 -0.401 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917375 845434633 /nfs/dbraw/zinc/43/46/33/845434633.db2.gz XSSLDDJQLLWRAT-HNNXBMFYSA-N 2 1 360.524 -0.023 20 0 FBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220920612 845435529 /nfs/dbraw/zinc/43/55/29/845435529.db2.gz GJKDEFBPQVGJGB-SCRDCRAPSA-N 2 1 353.467 -0.783 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975948 845453415 /nfs/dbraw/zinc/45/34/15/845453415.db2.gz CCTUKMRTTLRGBV-TUAOUCFPSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975948 845453411 /nfs/dbraw/zinc/45/34/11/845453411.db2.gz CCTUKMRTTLRGBV-TUAOUCFPSA-N 2 1 366.384 -0.832 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975948 845453408 /nfs/dbraw/zinc/45/34/08/845453408.db2.gz CCTUKMRTTLRGBV-TUAOUCFPSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975949 845453710 /nfs/dbraw/zinc/45/37/10/845453710.db2.gz CCTUKMRTTLRGBV-UTUOFQBUSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975949 845453707 /nfs/dbraw/zinc/45/37/07/845453707.db2.gz CCTUKMRTTLRGBV-UTUOFQBUSA-N 2 1 366.384 -0.832 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975949 845453704 /nfs/dbraw/zinc/45/37/04/845453704.db2.gz CCTUKMRTTLRGBV-UTUOFQBUSA-N 2 1 366.384 -0.832 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453452 /nfs/dbraw/zinc/45/34/52/845453452.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453449 /nfs/dbraw/zinc/45/34/49/845453449.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453444 /nfs/dbraw/zinc/45/34/44/845453444.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 2 1 350.467 -0.439 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845453013 /nfs/dbraw/zinc/45/30/13/845453013.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845453004 /nfs/dbraw/zinc/45/30/04/845453004.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845452996 /nfs/dbraw/zinc/45/29/96/845452996.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 2 1 350.467 -0.439 20 0 FBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220978145 845455769 /nfs/dbraw/zinc/45/57/69/845455769.db2.gz OKDROVLUXCBELD-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220978145 845455763 /nfs/dbraw/zinc/45/57/63/845455763.db2.gz OKDROVLUXCBELD-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220979267 845455345 /nfs/dbraw/zinc/45/53/45/845455345.db2.gz INEZDOASLOHXGC-OAGGEKHMSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220979267 845455341 /nfs/dbraw/zinc/45/53/41/845455341.db2.gz INEZDOASLOHXGC-OAGGEKHMSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220979268 845454713 /nfs/dbraw/zinc/45/47/13/845454713.db2.gz INEZDOASLOHXGC-XHSDSOJGSA-N 2 1 352.435 -0.452 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220979268 845454708 /nfs/dbraw/zinc/45/47/08/845454708.db2.gz INEZDOASLOHXGC-XHSDSOJGSA-N 2 1 352.435 -0.452 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220985658 845458367 /nfs/dbraw/zinc/45/83/67/845458367.db2.gz AIHQZWLLWHVCCV-OIISXLGYSA-N 2 1 355.479 -0.457 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220985659 845458440 /nfs/dbraw/zinc/45/84/40/845458440.db2.gz AIHQZWLLWHVCCV-UAGQMJEPSA-N 2 1 355.479 -0.457 20 0 FBADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985694 845458835 /nfs/dbraw/zinc/45/88/35/845458835.db2.gz BQMZZDJTANVQIS-BBWFWOEESA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985695 845458076 /nfs/dbraw/zinc/45/80/76/845458076.db2.gz BQMZZDJTANVQIS-ZACQAIPSSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985743 845458300 /nfs/dbraw/zinc/45/83/00/845458300.db2.gz DSISLCBOKDILOH-BBWFWOEESA-N 2 1 357.495 -0.067 20 0 FBADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985744 845458789 /nfs/dbraw/zinc/45/87/89/845458789.db2.gz DSISLCBOKDILOH-ZACQAIPSSA-N 2 1 357.495 -0.067 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220994232 845467309 /nfs/dbraw/zinc/46/73/09/845467309.db2.gz HQKJLXHGZJZAGF-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220994232 845467297 /nfs/dbraw/zinc/46/72/97/845467297.db2.gz HQKJLXHGZJZAGF-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001221006482 845475672 /nfs/dbraw/zinc/47/56/72/845475672.db2.gz IAWKYITXVUGACY-ATNYBXOESA-N 2 1 351.495 -0.709 20 0 FBADMP [NH3+]CCC[NH2+]CC(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028161 845482616 /nfs/dbraw/zinc/48/26/16/845482616.db2.gz IDPZCEVLHCPAOZ-UHFFFAOYSA-N 2 1 354.476 -0.374 20 0 FBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056692 845485274 /nfs/dbraw/zinc/48/52/74/845485274.db2.gz YCMLSFYIWNMWLL-BRWVUGGUSA-N 2 1 353.511 -0.504 20 0 FBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056697 845484639 /nfs/dbraw/zinc/48/46/39/845484639.db2.gz YCMLSFYIWNMWLL-ULQDDVLXSA-N 2 1 353.511 -0.504 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221062145 845488345 /nfs/dbraw/zinc/48/83/45/845488345.db2.gz KCOHXSHEGZNBJW-CVEARBPZSA-N 2 1 352.479 -0.354 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221062145 845488336 /nfs/dbraw/zinc/48/83/36/845488336.db2.gz KCOHXSHEGZNBJW-CVEARBPZSA-N 2 1 352.479 -0.354 20 0 FBADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c1 ZINC001221062298 845487950 /nfs/dbraw/zinc/48/79/50/845487950.db2.gz NZFIPJPMBCWQOR-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001221062298 845487944 /nfs/dbraw/zinc/48/79/44/845487944.db2.gz NZFIPJPMBCWQOR-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221062469 845488557 /nfs/dbraw/zinc/48/85/57/845488557.db2.gz QVOARRCJMBDRJQ-BBWFWOEESA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221062470 845487649 /nfs/dbraw/zinc/48/76/49/845487649.db2.gz QVOARRCJMBDRJQ-ZACQAIPSSA-N 2 1 351.447 -0.470 20 0 FBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221062953 845489307 /nfs/dbraw/zinc/48/93/07/845489307.db2.gz GSFMCUBJLZIXTL-INIZCTEOSA-N 2 1 368.503 -0.013 20 0 FBADMP CCC(CC)[C@@H](NC(=O)[C@@H]1COC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067904 845491039 /nfs/dbraw/zinc/49/10/39/845491039.db2.gz OFNHXOCAUCEWFY-XWSJDDSLSA-N 2 1 357.451 -0.649 20 0 FBADMP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070205 845491846 /nfs/dbraw/zinc/49/18/46/845491846.db2.gz JLZGUYUKNMBAMZ-BBZRCZKMSA-N 3 1 358.483 -0.919 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221073330 845493737 /nfs/dbraw/zinc/49/37/37/845493737.db2.gz QPKDVJJMTHLFQX-CABCVRRESA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221073330 845493732 /nfs/dbraw/zinc/49/37/32/845493732.db2.gz QPKDVJJMTHLFQX-CABCVRRESA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221073362 845493441 /nfs/dbraw/zinc/49/34/41/845493441.db2.gz SHENZMDZZYRLJX-CVEARBPZSA-N 2 1 352.479 -0.354 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221073362 845493438 /nfs/dbraw/zinc/49/34/38/845493438.db2.gz SHENZMDZZYRLJX-CVEARBPZSA-N 2 1 352.479 -0.354 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221073503 845493760 /nfs/dbraw/zinc/49/37/60/845493760.db2.gz YYPPJMWZDXUAED-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221073503 845493757 /nfs/dbraw/zinc/49/37/57/845493757.db2.gz YYPPJMWZDXUAED-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221073504 845493428 /nfs/dbraw/zinc/49/34/28/845493428.db2.gz YYPPJMWZDXUAED-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221073504 845493423 /nfs/dbraw/zinc/49/34/23/845493423.db2.gz YYPPJMWZDXUAED-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221073533 845493786 /nfs/dbraw/zinc/49/37/86/845493786.db2.gz ZSAJMEPPUCRCEA-CVEARBPZSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221073533 845493780 /nfs/dbraw/zinc/49/37/80/845493780.db2.gz ZSAJMEPPUCRCEA-CVEARBPZSA-N 2 1 352.479 -0.450 20 0 FBADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221077289 845494812 /nfs/dbraw/zinc/49/48/12/845494812.db2.gz HCRSXGVKGHDFLS-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221077289 845494809 /nfs/dbraw/zinc/49/48/09/845494809.db2.gz HCRSXGVKGHDFLS-SJORKVTESA-N 2 1 351.447 -0.468 20 0 FBADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077571 845496450 /nfs/dbraw/zinc/49/64/50/845496450.db2.gz PKOSPTHECQMVQJ-OIISXLGYSA-N 2 1 351.447 -0.470 20 0 FBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077573 845496563 /nfs/dbraw/zinc/49/65/63/845496563.db2.gz PKOSPTHECQMVQJ-UAGQMJEPSA-N 2 1 351.447 -0.470 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221081211 845497510 /nfs/dbraw/zinc/49/75/10/845497510.db2.gz GCYRWYOSQUYCEL-CABCVRRESA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221081211 845497503 /nfs/dbraw/zinc/49/75/03/845497503.db2.gz GCYRWYOSQUYCEL-CABCVRRESA-N 2 1 353.467 -0.951 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221081489 845497752 /nfs/dbraw/zinc/49/77/52/845497752.db2.gz OOGADQWSPZQGBA-CVEARBPZSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001221081489 845497748 /nfs/dbraw/zinc/49/77/48/845497748.db2.gz OOGADQWSPZQGBA-CVEARBPZSA-N 2 1 352.479 -0.450 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081690 845497406 /nfs/dbraw/zinc/49/74/06/845497406.db2.gz STWIATNQWKGANZ-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081690 845497399 /nfs/dbraw/zinc/49/73/99/845497399.db2.gz STWIATNQWKGANZ-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081691 845497708 /nfs/dbraw/zinc/49/77/08/845497708.db2.gz STWIATNQWKGANZ-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081691 845497702 /nfs/dbraw/zinc/49/77/02/845497702.db2.gz STWIATNQWKGANZ-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089461 845501502 /nfs/dbraw/zinc/50/15/02/845501502.db2.gz GMMQOELBGDNMGX-UPJWGTAASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089461 845501498 /nfs/dbraw/zinc/50/14/98/845501498.db2.gz GMMQOELBGDNMGX-UPJWGTAASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089461 845501490 /nfs/dbraw/zinc/50/14/90/845501490.db2.gz GMMQOELBGDNMGX-UPJWGTAASA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089462 845501229 /nfs/dbraw/zinc/50/12/29/845501229.db2.gz GMMQOELBGDNMGX-XQQFMLRXSA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089462 845501226 /nfs/dbraw/zinc/50/12/26/845501226.db2.gz GMMQOELBGDNMGX-XQQFMLRXSA-N 2 1 371.400 -0.572 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089462 845501222 /nfs/dbraw/zinc/50/12/22/845501222.db2.gz GMMQOELBGDNMGX-XQQFMLRXSA-N 2 1 371.400 -0.572 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091247 845501096 /nfs/dbraw/zinc/50/10/96/845501096.db2.gz HIOBHNUVJUBKFV-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091247 845501092 /nfs/dbraw/zinc/50/10/92/845501092.db2.gz HIOBHNUVJUBKFV-IKGGRYGDSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091248 845501763 /nfs/dbraw/zinc/50/17/63/845501763.db2.gz HIOBHNUVJUBKFV-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091248 845501752 /nfs/dbraw/zinc/50/17/52/845501752.db2.gz HIOBHNUVJUBKFV-IXDOHACOSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091536 845502974 /nfs/dbraw/zinc/50/29/74/845502974.db2.gz PXFPDUITOCCGBH-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091536 845502965 /nfs/dbraw/zinc/50/29/65/845502965.db2.gz PXFPDUITOCCGBH-OWCLPIDISA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091537 845503678 /nfs/dbraw/zinc/50/36/78/845503678.db2.gz PXFPDUITOCCGBH-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091537 845503673 /nfs/dbraw/zinc/50/36/73/845503673.db2.gz PXFPDUITOCCGBH-PMPSAXMXSA-N 2 1 350.467 -0.440 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001221091861 845503098 /nfs/dbraw/zinc/50/30/98/845503098.db2.gz YOBPCRZSEWHLIR-CVEARBPZSA-N 2 1 352.483 -0.050 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001221091861 845503089 /nfs/dbraw/zinc/50/30/89/845503089.db2.gz YOBPCRZSEWHLIR-CVEARBPZSA-N 2 1 352.483 -0.050 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001221091861 845503081 /nfs/dbraw/zinc/50/30/81/845503081.db2.gz YOBPCRZSEWHLIR-CVEARBPZSA-N 2 1 352.483 -0.050 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095490 845506021 /nfs/dbraw/zinc/50/60/21/845506021.db2.gz GEAYTKPYEXFZGO-IKGGRYGDSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095490 845506013 /nfs/dbraw/zinc/50/60/13/845506013.db2.gz GEAYTKPYEXFZGO-IKGGRYGDSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095492 845505708 /nfs/dbraw/zinc/50/57/08/845505708.db2.gz GEAYTKPYEXFZGO-IXDOHACOSA-N 2 1 357.495 -0.333 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095492 845505702 /nfs/dbraw/zinc/50/57/02/845505702.db2.gz GEAYTKPYEXFZGO-IXDOHACOSA-N 2 1 357.495 -0.333 20 0 FBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221149096 845524272 /nfs/dbraw/zinc/52/42/72/845524272.db2.gz WZZXWFUWLRKNMW-HNNXBMFYSA-N 2 1 369.491 -0.611 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001221158587 845528527 /nfs/dbraw/zinc/52/85/27/845528527.db2.gz NNTBVRHSFHFELI-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001221158587 845528516 /nfs/dbraw/zinc/52/85/16/845528516.db2.gz NNTBVRHSFHFELI-CVEARBPZSA-N 2 1 350.467 -0.295 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221243085 845553576 /nfs/dbraw/zinc/55/35/76/845553576.db2.gz DNRMUJGQUNDMNH-DCGLDWPTSA-N 2 1 353.467 -0.959 20 0 FBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221243086 845553945 /nfs/dbraw/zinc/55/39/45/845553945.db2.gz DNRMUJGQUNDMNH-GDZNZVCISA-N 2 1 353.467 -0.959 20 0 FBADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC001221265000 845559843 /nfs/dbraw/zinc/55/98/43/845559843.db2.gz DQKRSSLISRSOJB-CABNGKKXSA-N 2 1 358.368 -0.386 20 0 FBADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC001221265001 845559751 /nfs/dbraw/zinc/55/97/51/845559751.db2.gz DQKRSSLISRSOJB-FMKGYKFTSA-N 2 1 358.368 -0.386 20 0 FBADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC001221265002 845559899 /nfs/dbraw/zinc/55/98/99/845559899.db2.gz DQKRSSLISRSOJB-YXCITZCRSA-N 2 1 358.368 -0.386 20 0 FBADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC001221265003 845560236 /nfs/dbraw/zinc/56/02/36/845560236.db2.gz DQKRSSLISRSOJB-ZRJCITRHSA-N 2 1 358.368 -0.386 20 0 FBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@@H](N)C[NH3+] ZINC001221339835 845568130 /nfs/dbraw/zinc/56/81/30/845568130.db2.gz AJMBTFMOOBTTCN-STQMWFEESA-N 2 1 366.491 -0.438 20 0 FBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@@H](O)C[NH3+] ZINC001221340883 845569596 /nfs/dbraw/zinc/56/95/96/845569596.db2.gz IUFDJFWCXYWVID-STQMWFEESA-N 2 1 367.475 -0.404 20 0 FBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001221356741 845570841 /nfs/dbraw/zinc/57/08/41/845570841.db2.gz CRVUDCKHLINXMS-CYBMUJFWSA-N 2 1 364.512 -0.930 20 0 FBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001221356742 845570526 /nfs/dbraw/zinc/57/05/26/845570526.db2.gz CRVUDCKHLINXMS-ZDUSSCGKSA-N 2 1 364.512 -0.930 20 0 FBADMP COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221360260 845570770 /nfs/dbraw/zinc/57/07/70/845570770.db2.gz HXSGGIVAZSTAMS-QWRGUYRKSA-N 2 1 359.224 -0.280 20 0 FBADMP COc1ccc(CN2C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])CC2=O)c(OC)c1 ZINC001221370637 845572232 /nfs/dbraw/zinc/57/22/32/845572232.db2.gz WMTPPGFSTDYVBI-JSGCOSHPSA-N 2 1 350.419 -0.403 20 0 FBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001221391261 845573021 /nfs/dbraw/zinc/57/30/21/845573021.db2.gz LAOTWVRKMDWKSZ-LBPRGKRZSA-N 3 1 358.487 -0.691 20 0 FBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221391581 845573406 /nfs/dbraw/zinc/57/34/06/845573406.db2.gz YYKFWMIRVAIDLB-CYBMUJFWSA-N 3 1 373.523 -0.535 20 0 FBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221391585 845572852 /nfs/dbraw/zinc/57/28/52/845572852.db2.gz YYKFWMIRVAIDLB-ZDUSSCGKSA-N 3 1 373.523 -0.535 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221445079 845576251 /nfs/dbraw/zinc/57/62/51/845576251.db2.gz ZDGSICNBLIPZOI-BRWVUGGUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221445079 845576240 /nfs/dbraw/zinc/57/62/40/845576240.db2.gz ZDGSICNBLIPZOI-BRWVUGGUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221445079 845576236 /nfs/dbraw/zinc/57/62/36/845576236.db2.gz ZDGSICNBLIPZOI-BRWVUGGUSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221445080 845576903 /nfs/dbraw/zinc/57/69/03/845576903.db2.gz ZDGSICNBLIPZOI-IXDOHACOSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221445080 845576896 /nfs/dbraw/zinc/57/68/96/845576896.db2.gz ZDGSICNBLIPZOI-IXDOHACOSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221445080 845576888 /nfs/dbraw/zinc/57/68/88/845576888.db2.gz ZDGSICNBLIPZOI-IXDOHACOSA-N 2 1 352.479 -0.234 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557475 845604480 /nfs/dbraw/zinc/60/44/80/845604480.db2.gz SSTKJFLBUUAZKP-BZUAXINKSA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557475 845604468 /nfs/dbraw/zinc/60/44/68/845604468.db2.gz SSTKJFLBUUAZKP-BZUAXINKSA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557476 845604160 /nfs/dbraw/zinc/60/41/60/845604160.db2.gz SSTKJFLBUUAZKP-OWCLPIDISA-N 2 1 370.519 -0.590 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557476 845604159 /nfs/dbraw/zinc/60/41/59/845604159.db2.gz SSTKJFLBUUAZKP-OWCLPIDISA-N 2 1 370.519 -0.590 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560810 845605173 /nfs/dbraw/zinc/60/51/73/845605173.db2.gz IZWCLGJCWGWFJB-KLHDSHLOSA-N 2 1 372.535 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560810 845605169 /nfs/dbraw/zinc/60/51/69/845605169.db2.gz IZWCLGJCWGWFJB-KLHDSHLOSA-N 2 1 372.535 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221560810 845605168 /nfs/dbraw/zinc/60/51/68/845605168.db2.gz IZWCLGJCWGWFJB-KLHDSHLOSA-N 2 1 372.535 -0.249 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221560810 845605164 /nfs/dbraw/zinc/60/51/64/845605164.db2.gz IZWCLGJCWGWFJB-KLHDSHLOSA-N 2 1 372.535 -0.249 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560873 845605203 /nfs/dbraw/zinc/60/52/03/845605203.db2.gz MIJQEYQXKIDOEQ-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560873 845605200 /nfs/dbraw/zinc/60/52/00/845605200.db2.gz MIJQEYQXKIDOEQ-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221560873 845605197 /nfs/dbraw/zinc/60/51/97/845605197.db2.gz MIJQEYQXKIDOEQ-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221560873 845605193 /nfs/dbraw/zinc/60/51/93/845605193.db2.gz MIJQEYQXKIDOEQ-QKPAOTATSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560886 845604787 /nfs/dbraw/zinc/60/47/87/845604787.db2.gz MYOBZPAHKYREIX-KBUPBQIOSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560886 845604778 /nfs/dbraw/zinc/60/47/78/845604778.db2.gz MYOBZPAHKYREIX-KBUPBQIOSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221560886 845604770 /nfs/dbraw/zinc/60/47/70/845604770.db2.gz MYOBZPAHKYREIX-KBUPBQIOSA-N 2 1 358.508 -0.592 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221560886 845604762 /nfs/dbraw/zinc/60/47/62/845604762.db2.gz MYOBZPAHKYREIX-KBUPBQIOSA-N 2 1 358.508 -0.592 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640141 845624107 /nfs/dbraw/zinc/62/41/07/845624107.db2.gz IHBBHPIXRYEJND-QBPKDAKJSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640141 845624101 /nfs/dbraw/zinc/62/41/01/845624101.db2.gz IHBBHPIXRYEJND-QBPKDAKJSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640141 845624097 /nfs/dbraw/zinc/62/40/97/845624097.db2.gz IHBBHPIXRYEJND-QBPKDAKJSA-N 2 1 355.479 -0.099 20 0 FBADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640141 845624091 /nfs/dbraw/zinc/62/40/91/845624091.db2.gz IHBBHPIXRYEJND-QBPKDAKJSA-N 2 1 355.479 -0.099 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221764013 845646688 /nfs/dbraw/zinc/64/66/88/845646688.db2.gz PEESGVMWSPASGD-BRWVUGGUSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221764013 845646682 /nfs/dbraw/zinc/64/66/82/845646682.db2.gz PEESGVMWSPASGD-BRWVUGGUSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221764013 845646678 /nfs/dbraw/zinc/64/66/78/845646678.db2.gz PEESGVMWSPASGD-BRWVUGGUSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221764013 845646669 /nfs/dbraw/zinc/64/66/69/845646669.db2.gz PEESGVMWSPASGD-BRWVUGGUSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221764014 845646000 /nfs/dbraw/zinc/64/60/00/845646000.db2.gz PEESGVMWSPASGD-ZACQAIPSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221764014 845645991 /nfs/dbraw/zinc/64/59/91/845645991.db2.gz PEESGVMWSPASGD-ZACQAIPSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221764014 845645986 /nfs/dbraw/zinc/64/59/86/845645986.db2.gz PEESGVMWSPASGD-ZACQAIPSSA-N 2 1 355.479 -0.363 20 0 FBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221764014 845645980 /nfs/dbraw/zinc/64/59/80/845645980.db2.gz PEESGVMWSPASGD-ZACQAIPSSA-N 2 1 355.479 -0.363 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221773933 845648085 /nfs/dbraw/zinc/64/80/85/845648085.db2.gz KIAQXEJEFISBFY-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221773933 845648083 /nfs/dbraw/zinc/64/80/83/845648083.db2.gz KIAQXEJEFISBFY-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776791 845648196 /nfs/dbraw/zinc/64/81/96/845648196.db2.gz DATYULFELJMNNE-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776791 845648193 /nfs/dbraw/zinc/64/81/93/845648193.db2.gz DATYULFELJMNNE-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776950 845648329 /nfs/dbraw/zinc/64/83/29/845648329.db2.gz LNRVGAQHOPGWFU-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776951 845648257 /nfs/dbraw/zinc/64/82/57/845648257.db2.gz LNRVGAQHOPGWFU-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221777147 845647972 /nfs/dbraw/zinc/64/79/72/845647972.db2.gz UQCRFRANIYOREO-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777158 845648155 /nfs/dbraw/zinc/64/81/55/845648155.db2.gz VBIRJYSGUYAGQA-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777158 845648149 /nfs/dbraw/zinc/64/81/49/845648149.db2.gz VBIRJYSGUYAGQA-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777159 845647766 /nfs/dbraw/zinc/64/77/66/845647766.db2.gz VBIRJYSGUYAGQA-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777159 845647761 /nfs/dbraw/zinc/64/77/61/845647761.db2.gz VBIRJYSGUYAGQA-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CN(CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)S(C)(=O)=O ZINC001221777186 845649587 /nfs/dbraw/zinc/64/95/87/845649587.db2.gz WBNIYCOXERDBDE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)S(C)(=O)=O ZINC001221777186 845649584 /nfs/dbraw/zinc/64/95/84/845649584.db2.gz WBNIYCOXERDBDE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787380 845651978 /nfs/dbraw/zinc/65/19/78/845651978.db2.gz PTOMQAKGLBHXPM-IACUBPJLSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787380 845651971 /nfs/dbraw/zinc/65/19/71/845651971.db2.gz PTOMQAKGLBHXPM-IACUBPJLSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787381 845651764 /nfs/dbraw/zinc/65/17/64/845651764.db2.gz PTOMQAKGLBHXPM-MRVWCRGKSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787381 845651757 /nfs/dbraw/zinc/65/17/57/845651757.db2.gz PTOMQAKGLBHXPM-MRVWCRGKSA-N 2 1 351.451 -0.556 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788336 845652754 /nfs/dbraw/zinc/65/27/54/845652754.db2.gz OQTQASWLQDVLML-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788336 845652751 /nfs/dbraw/zinc/65/27/51/845652751.db2.gz OQTQASWLQDVLML-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788337 845652505 /nfs/dbraw/zinc/65/25/05/845652505.db2.gz OQTQASWLQDVLML-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788337 845652502 /nfs/dbraw/zinc/65/25/02/845652502.db2.gz OQTQASWLQDVLML-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001221791282 845652642 /nfs/dbraw/zinc/65/26/42/845652642.db2.gz DYJCIWMUDOQBEW-HUUCEWRRSA-N 2 1 358.508 -0.494 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001221791282 845652641 /nfs/dbraw/zinc/65/26/41/845652641.db2.gz DYJCIWMUDOQBEW-HUUCEWRRSA-N 2 1 358.508 -0.494 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001221791315 845652261 /nfs/dbraw/zinc/65/22/61/845652261.db2.gz FXEPERNYMUOZIK-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001221791361 845652175 /nfs/dbraw/zinc/65/21/75/845652175.db2.gz IETNVACAJAWLCV-OWCLPIDISA-N 2 1 352.479 -0.546 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791415 845652408 /nfs/dbraw/zinc/65/24/08/845652408.db2.gz KAVGXNFGEVBNKO-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221791524 845652604 /nfs/dbraw/zinc/65/26/04/845652604.db2.gz QDTOYFVOEFYUGG-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221791524 845652601 /nfs/dbraw/zinc/65/26/01/845652601.db2.gz QDTOYFVOEFYUGG-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221791525 845652149 /nfs/dbraw/zinc/65/21/49/845652149.db2.gz QDTOYFVOEFYUGG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221791525 845652145 /nfs/dbraw/zinc/65/21/45/845652145.db2.gz QDTOYFVOEFYUGG-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791529 845652447 /nfs/dbraw/zinc/65/24/47/845652447.db2.gz QGKDIWYWUPKYNC-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872289 845669128 /nfs/dbraw/zinc/66/91/28/845669128.db2.gz WBTFUWIMNKBSFQ-IAGOWNOFSA-N 2 1 355.479 -0.096 20 0 FBADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872289 845669125 /nfs/dbraw/zinc/66/91/25/845669125.db2.gz WBTFUWIMNKBSFQ-IAGOWNOFSA-N 2 1 355.479 -0.096 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221883673 845671303 /nfs/dbraw/zinc/67/13/03/845671303.db2.gz PYPNBIZQOBUZCG-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221883674 845670744 /nfs/dbraw/zinc/67/07/44/845670744.db2.gz PYPNBIZQOBUZCG-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221883854 845670786 /nfs/dbraw/zinc/67/07/86/845670786.db2.gz XCRQWDBAFFAKMB-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221883854 845670777 /nfs/dbraw/zinc/67/07/77/845670777.db2.gz XCRQWDBAFFAKMB-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894637 845673211 /nfs/dbraw/zinc/67/32/11/845673211.db2.gz BMEQDKWXOPIZQZ-BFYDXBDKSA-N 2 1 355.479 -0.363 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894638 845672628 /nfs/dbraw/zinc/67/26/28/845672628.db2.gz BMEQDKWXOPIZQZ-HLLBOEOZSA-N 2 1 355.479 -0.363 20 0 FBADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001221895137 845672790 /nfs/dbraw/zinc/67/27/90/845672790.db2.gz XERQUKNIIFQVRW-NVXWUHKLSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001221919300 845677185 /nfs/dbraw/zinc/67/71/85/845677185.db2.gz HTJZKRORXMMUQE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001221919300 845677178 /nfs/dbraw/zinc/67/71/78/845677178.db2.gz HTJZKRORXMMUQE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001221919300 845677177 /nfs/dbraw/zinc/67/71/77/845677177.db2.gz HTJZKRORXMMUQE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001221919300 845677169 /nfs/dbraw/zinc/67/71/69/845677169.db2.gz HTJZKRORXMMUQE-HUUCEWRRSA-N 2 1 360.524 -0.248 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221919403 845677916 /nfs/dbraw/zinc/67/79/16/845677916.db2.gz MSTYXBMYZNVAAW-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221919403 845677910 /nfs/dbraw/zinc/67/79/10/845677910.db2.gz MSTYXBMYZNVAAW-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221919403 845677905 /nfs/dbraw/zinc/67/79/05/845677905.db2.gz MSTYXBMYZNVAAW-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221919403 845677902 /nfs/dbraw/zinc/67/79/02/845677902.db2.gz MSTYXBMYZNVAAW-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678129 /nfs/dbraw/zinc/67/81/29/845678129.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678127 /nfs/dbraw/zinc/67/81/27/845678127.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678122 /nfs/dbraw/zinc/67/81/22/845678122.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677706 /nfs/dbraw/zinc/67/77/06/845677706.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677700 /nfs/dbraw/zinc/67/77/00/845677700.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677697 /nfs/dbraw/zinc/67/76/97/845677697.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001221921611 845677607 /nfs/dbraw/zinc/67/76/07/845677607.db2.gz BPLCIFMZPSFRKI-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001221921611 845677601 /nfs/dbraw/zinc/67/76/01/845677601.db2.gz BPLCIFMZPSFRKI-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001221921611 845677597 /nfs/dbraw/zinc/67/75/97/845677597.db2.gz BPLCIFMZPSFRKI-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001221921611 845677591 /nfs/dbraw/zinc/67/75/91/845677591.db2.gz BPLCIFMZPSFRKI-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921656 845677424 /nfs/dbraw/zinc/67/74/24/845677424.db2.gz DPMMRDZMHOTHGI-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921656 845677418 /nfs/dbraw/zinc/67/74/18/845677418.db2.gz DPMMRDZMHOTHGI-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921656 845677415 /nfs/dbraw/zinc/67/74/15/845677415.db2.gz DPMMRDZMHOTHGI-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921656 845677409 /nfs/dbraw/zinc/67/74/09/845677409.db2.gz DPMMRDZMHOTHGI-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921657 845677820 /nfs/dbraw/zinc/67/78/20/845677820.db2.gz DPMMRDZMHOTHGI-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921657 845677814 /nfs/dbraw/zinc/67/78/14/845677814.db2.gz DPMMRDZMHOTHGI-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921657 845677807 /nfs/dbraw/zinc/67/78/07/845677807.db2.gz DPMMRDZMHOTHGI-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221921657 845677804 /nfs/dbraw/zinc/67/78/04/845677804.db2.gz DPMMRDZMHOTHGI-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221921976 845677341 /nfs/dbraw/zinc/67/73/41/845677341.db2.gz TYVSSRGUUUPZOM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221921976 845677337 /nfs/dbraw/zinc/67/73/37/845677337.db2.gz TYVSSRGUUUPZOM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221921976 845677334 /nfs/dbraw/zinc/67/73/34/845677334.db2.gz TYVSSRGUUUPZOM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945713 845682699 /nfs/dbraw/zinc/68/26/99/845682699.db2.gz XMEMDVOHRJKMKD-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945713 845682691 /nfs/dbraw/zinc/68/26/91/845682691.db2.gz XMEMDVOHRJKMKD-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945713 845682684 /nfs/dbraw/zinc/68/26/84/845682684.db2.gz XMEMDVOHRJKMKD-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945713 845682676 /nfs/dbraw/zinc/68/26/76/845682676.db2.gz XMEMDVOHRJKMKD-RBSFLKMASA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945714 845682451 /nfs/dbraw/zinc/68/24/51/845682451.db2.gz XMEMDVOHRJKMKD-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945714 845682446 /nfs/dbraw/zinc/68/24/46/845682446.db2.gz XMEMDVOHRJKMKD-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945714 845682443 /nfs/dbraw/zinc/68/24/43/845682443.db2.gz XMEMDVOHRJKMKD-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001221945714 845682437 /nfs/dbraw/zinc/68/24/37/845682437.db2.gz XMEMDVOHRJKMKD-RRFJBIMHSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221946843 845682332 /nfs/dbraw/zinc/68/23/32/845682332.db2.gz FQVGCXKFQSRVTE-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221946843 845682323 /nfs/dbraw/zinc/68/23/23/845682323.db2.gz FQVGCXKFQSRVTE-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221946970 845682582 /nfs/dbraw/zinc/68/25/82/845682582.db2.gz LDZKOYQRBHYLCY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221946970 845682576 /nfs/dbraw/zinc/68/25/76/845682576.db2.gz LDZKOYQRBHYLCY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947026 845682028 /nfs/dbraw/zinc/68/20/28/845682028.db2.gz OEQXYQQLVKYAFD-HZPDHXFCSA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947026 845682022 /nfs/dbraw/zinc/68/20/22/845682022.db2.gz OEQXYQQLVKYAFD-HZPDHXFCSA-N 2 1 354.495 -0.036 20 0 FBADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221947116 845682394 /nfs/dbraw/zinc/68/23/94/845682394.db2.gz SHLYTFLZIGQTJC-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221947116 845682389 /nfs/dbraw/zinc/68/23/89/845682389.db2.gz SHLYTFLZIGQTJC-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221947117 845682416 /nfs/dbraw/zinc/68/24/16/845682416.db2.gz SHLYTFLZIGQTJC-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221947117 845682407 /nfs/dbraw/zinc/68/24/07/845682407.db2.gz SHLYTFLZIGQTJC-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947159 845682068 /nfs/dbraw/zinc/68/20/68/845682068.db2.gz VOXBQOJDWXROLT-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947159 845682064 /nfs/dbraw/zinc/68/20/64/845682064.db2.gz VOXBQOJDWXROLT-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)S(C)(=O)=O ZINC001221949939 845682243 /nfs/dbraw/zinc/68/22/43/845682243.db2.gz NVFDKKGTDGYAGC-HUUCEWRRSA-N 2 1 370.519 -0.494 20 0 FBADMP CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)S(C)(=O)=O ZINC001221949939 845682238 /nfs/dbraw/zinc/68/22/38/845682238.db2.gz NVFDKKGTDGYAGC-HUUCEWRRSA-N 2 1 370.519 -0.494 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221950325 845682263 /nfs/dbraw/zinc/68/22/63/845682263.db2.gz BWJQIJCPIUORCP-HZPDHXFCSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221950325 845682257 /nfs/dbraw/zinc/68/22/57/845682257.db2.gz BWJQIJCPIUORCP-HZPDHXFCSA-N 2 1 352.479 -0.377 20 0 FBADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950332 845682287 /nfs/dbraw/zinc/68/22/87/845682287.db2.gz CDRLNMKDTVNWCP-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950332 845682279 /nfs/dbraw/zinc/68/22/79/845682279.db2.gz CDRLNMKDTVNWCP-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950333 845683691 /nfs/dbraw/zinc/68/36/91/845683691.db2.gz CDRLNMKDTVNWCP-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950333 845683687 /nfs/dbraw/zinc/68/36/87/845683687.db2.gz CDRLNMKDTVNWCP-OWCLPIDISA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221950449 845684488 /nfs/dbraw/zinc/68/44/88/845684488.db2.gz IOWDRNMGMRLJKG-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950610 845683678 /nfs/dbraw/zinc/68/36/78/845683678.db2.gz PGMBEUDHHLCEHG-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950610 845683673 /nfs/dbraw/zinc/68/36/73/845683673.db2.gz PGMBEUDHHLCEHG-IIAWOOMASA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950611 845684478 /nfs/dbraw/zinc/68/44/78/845684478.db2.gz PGMBEUDHHLCEHG-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950611 845684472 /nfs/dbraw/zinc/68/44/72/845684472.db2.gz PGMBEUDHHLCEHG-SQWLQELKSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221950680 845684452 /nfs/dbraw/zinc/68/44/52/845684452.db2.gz SPMZKNSBCMAGPY-HUUCEWRRSA-N 2 1 353.467 -0.878 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958441 845684026 /nfs/dbraw/zinc/68/40/26/845684026.db2.gz RNMXISIQCXUICV-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958441 845684020 /nfs/dbraw/zinc/68/40/20/845684020.db2.gz RNMXISIQCXUICV-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958442 845683744 /nfs/dbraw/zinc/68/37/44/845683744.db2.gz RNMXISIQCXUICV-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958442 845683739 /nfs/dbraw/zinc/68/37/39/845683739.db2.gz RNMXISIQCXUICV-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221962406 845683777 /nfs/dbraw/zinc/68/37/77/845683777.db2.gz BQRIAJYEVUWVMU-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221962406 845683776 /nfs/dbraw/zinc/68/37/76/845683776.db2.gz BQRIAJYEVUWVMU-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968222 845685274 /nfs/dbraw/zinc/68/52/74/845685274.db2.gz IHXLASLLLBAUEL-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968222 845685273 /nfs/dbraw/zinc/68/52/73/845685273.db2.gz IHXLASLLLBAUEL-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968222 845685267 /nfs/dbraw/zinc/68/52/67/845685267.db2.gz IHXLASLLLBAUEL-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968222 845685262 /nfs/dbraw/zinc/68/52/62/845685262.db2.gz IHXLASLLLBAUEL-BFHYXJOUSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968223 845685222 /nfs/dbraw/zinc/68/52/22/845685222.db2.gz IHXLASLLLBAUEL-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968223 845685217 /nfs/dbraw/zinc/68/52/17/845685217.db2.gz IHXLASLLLBAUEL-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968223 845685209 /nfs/dbraw/zinc/68/52/09/845685209.db2.gz IHXLASLLLBAUEL-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221968223 845685206 /nfs/dbraw/zinc/68/52/06/845685206.db2.gz IHXLASLLLBAUEL-MGPQQGTHSA-N 2 1 353.467 -0.166 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221968448 845685733 /nfs/dbraw/zinc/68/57/33/845685733.db2.gz OSLVMWFGBSAZGM-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221968448 845685730 /nfs/dbraw/zinc/68/57/30/845685730.db2.gz OSLVMWFGBSAZGM-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221968448 845685724 /nfs/dbraw/zinc/68/57/24/845685724.db2.gz OSLVMWFGBSAZGM-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221968448 845685720 /nfs/dbraw/zinc/68/57/20/845685720.db2.gz OSLVMWFGBSAZGM-HUUCEWRRSA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221972873 845685868 /nfs/dbraw/zinc/68/58/68/845685868.db2.gz NOBBBLGQSNPKNM-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221972873 845685861 /nfs/dbraw/zinc/68/58/61/845685861.db2.gz NOBBBLGQSNPKNM-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221972873 845685858 /nfs/dbraw/zinc/68/58/58/845685858.db2.gz NOBBBLGQSNPKNM-BRWVUGGUSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221972874 845686282 /nfs/dbraw/zinc/68/62/82/845686282.db2.gz NOBBBLGQSNPKNM-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221972874 845686277 /nfs/dbraw/zinc/68/62/77/845686277.db2.gz NOBBBLGQSNPKNM-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221972874 845686273 /nfs/dbraw/zinc/68/62/73/845686273.db2.gz NOBBBLGQSNPKNM-IXDOHACOSA-N 2 1 357.495 -0.115 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221973013 845686032 /nfs/dbraw/zinc/68/60/32/845686032.db2.gz UZTOLSPYAKNKNM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221973013 845686024 /nfs/dbraw/zinc/68/60/24/845686024.db2.gz UZTOLSPYAKNKNM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221973013 845686017 /nfs/dbraw/zinc/68/60/17/845686017.db2.gz UZTOLSPYAKNKNM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221973013 845686010 /nfs/dbraw/zinc/68/60/10/845686010.db2.gz UZTOLSPYAKNKNM-ZIAGYGMSSA-N 2 1 351.451 -0.587 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013780 845694864 /nfs/dbraw/zinc/69/48/64/845694864.db2.gz LEZOTCUXWFYMHO-BRWVUGGUSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013780 845694858 /nfs/dbraw/zinc/69/48/58/845694858.db2.gz LEZOTCUXWFYMHO-BRWVUGGUSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013780 845694852 /nfs/dbraw/zinc/69/48/52/845694852.db2.gz LEZOTCUXWFYMHO-BRWVUGGUSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013783 845694467 /nfs/dbraw/zinc/69/44/67/845694467.db2.gz LEZOTCUXWFYMHO-IXDOHACOSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013783 845694462 /nfs/dbraw/zinc/69/44/62/845694462.db2.gz LEZOTCUXWFYMHO-IXDOHACOSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013783 845694458 /nfs/dbraw/zinc/69/44/58/845694458.db2.gz LEZOTCUXWFYMHO-IXDOHACOSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013957 845695129 /nfs/dbraw/zinc/69/51/29/845695129.db2.gz ORVGEIZAIILVOA-QLFBSQMISA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013957 845695127 /nfs/dbraw/zinc/69/51/27/845695127.db2.gz ORVGEIZAIILVOA-QLFBSQMISA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013957 845695123 /nfs/dbraw/zinc/69/51/23/845695123.db2.gz ORVGEIZAIILVOA-QLFBSQMISA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013957 845695121 /nfs/dbraw/zinc/69/51/21/845695121.db2.gz ORVGEIZAIILVOA-QLFBSQMISA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013958 845694051 /nfs/dbraw/zinc/69/40/51/845694051.db2.gz ORVGEIZAIILVOA-RBSFLKMASA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013958 845694048 /nfs/dbraw/zinc/69/40/48/845694048.db2.gz ORVGEIZAIILVOA-RBSFLKMASA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013958 845694047 /nfs/dbraw/zinc/69/40/47/845694047.db2.gz ORVGEIZAIILVOA-RBSFLKMASA-N 2 1 358.508 -0.638 20 0 FBADMP CN(CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001222013958 845694042 /nfs/dbraw/zinc/69/40/42/845694042.db2.gz ORVGEIZAIILVOA-RBSFLKMASA-N 2 1 358.508 -0.638 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016479 845694563 /nfs/dbraw/zinc/69/45/63/845694563.db2.gz LWEIZSQXCQTAIU-IAGOWNOFSA-N 2 1 352.479 -0.232 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016623 845694682 /nfs/dbraw/zinc/69/46/82/845694682.db2.gz SJUUJJQARVUZOC-BRWVUGGUSA-N 2 1 355.479 -0.361 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016624 845694422 /nfs/dbraw/zinc/69/44/22/845694422.db2.gz SJUUJJQARVUZOC-IXDOHACOSA-N 2 1 355.479 -0.361 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222018114 845694225 /nfs/dbraw/zinc/69/42/25/845694225.db2.gz NVOFLFLJHWAIQU-BRWVUGGUSA-N 2 1 355.479 -0.504 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222018115 845695147 /nfs/dbraw/zinc/69/51/47/845695147.db2.gz NVOFLFLJHWAIQU-GVDBMIGSSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCOC)C[C@H]32)C1 ZINC001222034917 845700050 /nfs/dbraw/zinc/70/00/50/845700050.db2.gz NYEQICKPDSEMPP-BRWVUGGUSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCOC)C[C@H]32)C1 ZINC001222034917 845700045 /nfs/dbraw/zinc/70/00/45/845700045.db2.gz NYEQICKPDSEMPP-BRWVUGGUSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)C1 ZINC001222034917 845700037 /nfs/dbraw/zinc/70/00/37/845700037.db2.gz NYEQICKPDSEMPP-BRWVUGGUSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)C1 ZINC001222034917 845700030 /nfs/dbraw/zinc/70/00/30/845700030.db2.gz NYEQICKPDSEMPP-BRWVUGGUSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCOC)C[C@H]32)C1 ZINC001222034918 845700558 /nfs/dbraw/zinc/70/05/58/845700558.db2.gz NYEQICKPDSEMPP-ZACQAIPSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCOC)C[C@H]32)C1 ZINC001222034918 845700552 /nfs/dbraw/zinc/70/05/52/845700552.db2.gz NYEQICKPDSEMPP-ZACQAIPSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)C1 ZINC001222034918 845700547 /nfs/dbraw/zinc/70/05/47/845700547.db2.gz NYEQICKPDSEMPP-ZACQAIPSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)C1 ZINC001222034918 845700544 /nfs/dbraw/zinc/70/05/44/845700544.db2.gz NYEQICKPDSEMPP-ZACQAIPSSA-N 2 1 355.479 -0.097 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001222052980 845704077 /nfs/dbraw/zinc/70/40/77/845704077.db2.gz DCTGJHNFFFOENV-ZIAGYGMSSA-N 2 1 351.451 -0.589 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001222052980 845704068 /nfs/dbraw/zinc/70/40/68/845704068.db2.gz DCTGJHNFFFOENV-ZIAGYGMSSA-N 2 1 351.451 -0.589 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001222052980 845704064 /nfs/dbraw/zinc/70/40/64/845704064.db2.gz DCTGJHNFFFOENV-ZIAGYGMSSA-N 2 1 351.451 -0.589 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001222052980 845704061 /nfs/dbraw/zinc/70/40/61/845704061.db2.gz DCTGJHNFFFOENV-ZIAGYGMSSA-N 2 1 351.451 -0.589 20 0 FBADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053673 845703885 /nfs/dbraw/zinc/70/38/85/845703885.db2.gz XLLJBLXABAORIY-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053673 845703881 /nfs/dbraw/zinc/70/38/81/845703881.db2.gz XLLJBLXABAORIY-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053673 845703877 /nfs/dbraw/zinc/70/38/77/845703877.db2.gz XLLJBLXABAORIY-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053674 845703909 /nfs/dbraw/zinc/70/39/09/845703909.db2.gz XLLJBLXABAORIY-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053674 845703904 /nfs/dbraw/zinc/70/39/04/845703904.db2.gz XLLJBLXABAORIY-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053674 845703902 /nfs/dbraw/zinc/70/39/02/845703902.db2.gz XLLJBLXABAORIY-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP COc1ccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cc1S(N)(=O)=O ZINC001222099558 845707096 /nfs/dbraw/zinc/70/70/96/845707096.db2.gz HSDPNIINOXPLSQ-UHFFFAOYSA-N 2 1 354.476 -0.130 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442567 845719653 /nfs/dbraw/zinc/71/96/53/845719653.db2.gz MVZCWNWVNTZEEI-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442567 845719646 /nfs/dbraw/zinc/71/96/46/845719646.db2.gz MVZCWNWVNTZEEI-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442567 845719639 /nfs/dbraw/zinc/71/96/39/845719639.db2.gz MVZCWNWVNTZEEI-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442567 845719630 /nfs/dbraw/zinc/71/96/30/845719630.db2.gz MVZCWNWVNTZEEI-ILXRZTDVSA-N 2 1 358.508 -0.447 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442572 845720307 /nfs/dbraw/zinc/72/03/07/845720307.db2.gz MVZCWNWVNTZEEI-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442572 845720299 /nfs/dbraw/zinc/72/02/99/845720299.db2.gz MVZCWNWVNTZEEI-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442572 845720293 /nfs/dbraw/zinc/72/02/93/845720293.db2.gz MVZCWNWVNTZEEI-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001222442572 845720286 /nfs/dbraw/zinc/72/02/86/845720286.db2.gz MVZCWNWVNTZEEI-KFWWJZLASA-N 2 1 358.508 -0.447 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489087 845722421 /nfs/dbraw/zinc/72/24/21/845722421.db2.gz KOGFUIGXNFRJHQ-IKGGRYGDSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489087 845722414 /nfs/dbraw/zinc/72/24/14/845722414.db2.gz KOGFUIGXNFRJHQ-IKGGRYGDSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489087 845722408 /nfs/dbraw/zinc/72/24/08/845722408.db2.gz KOGFUIGXNFRJHQ-IKGGRYGDSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489087 845722404 /nfs/dbraw/zinc/72/24/04/845722404.db2.gz KOGFUIGXNFRJHQ-IKGGRYGDSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489088 845721370 /nfs/dbraw/zinc/72/13/70/845721370.db2.gz KOGFUIGXNFRJHQ-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489088 845721363 /nfs/dbraw/zinc/72/13/63/845721363.db2.gz KOGFUIGXNFRJHQ-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489088 845721350 /nfs/dbraw/zinc/72/13/50/845721350.db2.gz KOGFUIGXNFRJHQ-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489088 845721339 /nfs/dbraw/zinc/72/13/39/845721339.db2.gz KOGFUIGXNFRJHQ-IXDOHACOSA-N 2 1 355.479 -0.097 20 0 FBADMP COc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1S(N)(=O)=O ZINC001222507535 845721160 /nfs/dbraw/zinc/72/11/60/845721160.db2.gz XWVDPJILGFMBRC-KBPBESRZSA-N 2 1 354.476 -0.132 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)CC[NH+]1C ZINC001222707330 845730522 /nfs/dbraw/zinc/73/05/22/845730522.db2.gz FPIYHWMVKGBROQ-SYQHCUMBSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)CC[NH+]1C ZINC001222707330 845730519 /nfs/dbraw/zinc/73/05/19/845730519.db2.gz FPIYHWMVKGBROQ-SYQHCUMBSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)CC[N@H+]1C ZINC001222707330 845730514 /nfs/dbraw/zinc/73/05/14/845730514.db2.gz FPIYHWMVKGBROQ-SYQHCUMBSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)CC[N@@H+]1C ZINC001222707330 845730513 /nfs/dbraw/zinc/73/05/13/845730513.db2.gz FPIYHWMVKGBROQ-SYQHCUMBSA-N 2 1 351.451 -0.556 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCNS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001222708351 845730648 /nfs/dbraw/zinc/73/06/48/845730648.db2.gz UTRIEMRWQBIBKI-FPCVCCKLSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCNS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001222708351 845730643 /nfs/dbraw/zinc/73/06/43/845730643.db2.gz UTRIEMRWQBIBKI-FPCVCCKLSA-N 2 1 372.535 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)CC[N@H+]1C ZINC001222708351 845730640 /nfs/dbraw/zinc/73/06/40/845730640.db2.gz UTRIEMRWQBIBKI-FPCVCCKLSA-N 2 1 372.535 -0.201 20 0 FBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892374 845737747 /nfs/dbraw/zinc/73/77/47/845737747.db2.gz MWXRVFPZIINIRW-OSAQELSMSA-N 2 1 351.451 -0.556 20 0 FBADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892375 845738266 /nfs/dbraw/zinc/73/82/66/845738266.db2.gz MWXRVFPZIINIRW-ZLDLUXBVSA-N 2 1 351.451 -0.556 20 0 FBADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)CCC1 ZINC001222892397 845738395 /nfs/dbraw/zinc/73/83/95/845738395.db2.gz NEIBQPNCIWSMHH-OLZOCXBDSA-N 2 1 351.451 -0.412 20 0 FBADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)C1CCC1 ZINC001222897476 845738053 /nfs/dbraw/zinc/73/80/53/845738053.db2.gz GSZAPZNFRZHHEQ-OCCSQVGLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1)C1CCC1 ZINC001222897476 845738048 /nfs/dbraw/zinc/73/80/48/845738048.db2.gz GSZAPZNFRZHHEQ-OCCSQVGLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1)C1CCC1 ZINC001222897476 845738041 /nfs/dbraw/zinc/73/80/41/845738041.db2.gz GSZAPZNFRZHHEQ-OCCSQVGLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[N@@H+](CC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CCC1 ZINC001222897476 845738035 /nfs/dbraw/zinc/73/80/35/845738035.db2.gz GSZAPZNFRZHHEQ-OCCSQVGLSA-N 2 1 351.451 -0.412 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](C)C ZINC001222930370 845738821 /nfs/dbraw/zinc/73/88/21/845738821.db2.gz YEFMRYSGMDLNHW-IPYPFGDCSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](C)C ZINC001222930370 845738813 /nfs/dbraw/zinc/73/88/13/845738813.db2.gz YEFMRYSGMDLNHW-IPYPFGDCSA-N 2 1 353.467 -0.310 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1)[NH+](C)C ZINC001222959162 845740323 /nfs/dbraw/zinc/74/03/23/845740323.db2.gz OCEIISXEWPCYAX-MCIONIFRSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1)[NH+](C)C ZINC001222959162 845740322 /nfs/dbraw/zinc/74/03/22/845740322.db2.gz OCEIISXEWPCYAX-MCIONIFRSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)O1 ZINC001222959184 845740051 /nfs/dbraw/zinc/74/00/51/845740051.db2.gz OVTJQIINKMSCSR-WCXIOVBPSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)O1 ZINC001222959184 845740044 /nfs/dbraw/zinc/74/00/44/845740044.db2.gz OVTJQIINKMSCSR-WCXIOVBPSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)O1 ZINC001222959184 845740035 /nfs/dbraw/zinc/74/00/35/845740035.db2.gz OVTJQIINKMSCSR-WCXIOVBPSA-N 2 1 355.479 -0.363 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)O1 ZINC001222959184 845740028 /nfs/dbraw/zinc/74/00/28/845740028.db2.gz OVTJQIINKMSCSR-WCXIOVBPSA-N 2 1 355.479 -0.363 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001222959225 845739936 /nfs/dbraw/zinc/73/99/36/845739936.db2.gz QTCTXHGIFWGBAN-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001222959225 845739928 /nfs/dbraw/zinc/73/99/28/845739928.db2.gz QTCTXHGIFWGBAN-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223023435 845742696 /nfs/dbraw/zinc/74/26/96/845742696.db2.gz KNEAAOVKVPNZJF-OLZOCXBDSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223023435 845742691 /nfs/dbraw/zinc/74/26/91/845742691.db2.gz KNEAAOVKVPNZJF-OLZOCXBDSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223023435 845742684 /nfs/dbraw/zinc/74/26/84/845742684.db2.gz KNEAAOVKVPNZJF-OLZOCXBDSA-N 2 1 353.467 -0.166 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223023435 845742675 /nfs/dbraw/zinc/74/26/75/845742675.db2.gz KNEAAOVKVPNZJF-OLZOCXBDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001223239786 845751656 /nfs/dbraw/zinc/75/16/56/845751656.db2.gz NVHCBHFFLBDEIT-UKRRQHHQSA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249532 845751294 /nfs/dbraw/zinc/75/12/94/845751294.db2.gz PLFAITMMVURVAH-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223249532 845751288 /nfs/dbraw/zinc/75/12/88/845751288.db2.gz PLFAITMMVURVAH-TZMCWYRMSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001223249565 845751533 /nfs/dbraw/zinc/75/15/33/845751533.db2.gz QDQYTCFIVGXKDG-UONOGXRCSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249909 845751115 /nfs/dbraw/zinc/75/11/15/845751115.db2.gz RFEFSQJRJQLTCC-MBNYWOFBSA-N 2 1 353.467 -0.262 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249910 845750922 /nfs/dbraw/zinc/75/09/22/845750922.db2.gz RFEFSQJRJQLTCC-YRGRVCCFSA-N 2 1 353.467 -0.262 20 0 FBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223379633 845755854 /nfs/dbraw/zinc/75/58/54/845755854.db2.gz XPCSXNASCDGEND-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387603 845756188 /nfs/dbraw/zinc/75/61/88/845756188.db2.gz HZPZODSDKTZTOV-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387603 845756184 /nfs/dbraw/zinc/75/61/84/845756184.db2.gz HZPZODSDKTZTOV-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)CC1 ZINC001223388065 845755536 /nfs/dbraw/zinc/75/55/36/845755536.db2.gz VPQUFUWWNBEAPG-OLZOCXBDSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)CC1 ZINC001223388065 845755533 /nfs/dbraw/zinc/75/55/33/845755533.db2.gz VPQUFUWWNBEAPG-OLZOCXBDSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)CC1 ZINC001223410783 845757329 /nfs/dbraw/zinc/75/73/29/845757329.db2.gz GHILRYSPFXZITR-OCCSQVGLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)CC1 ZINC001223410783 845757328 /nfs/dbraw/zinc/75/73/28/845757328.db2.gz GHILRYSPFXZITR-OCCSQVGLSA-N 2 1 351.451 -0.554 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424918 845757065 /nfs/dbraw/zinc/75/70/65/845757065.db2.gz JIMGQEZOPOFIKB-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001223425312 845756955 /nfs/dbraw/zinc/75/69/55/845756955.db2.gz RULWYPSXRJMZJW-KGLIPLIRSA-N 2 1 351.451 -0.587 20 0 FBADMP CN(CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)S(C)(=O)=O ZINC001223429954 845756618 /nfs/dbraw/zinc/75/66/18/845756618.db2.gz FFOHANQPRFDVPR-CABCVRRESA-N 2 1 360.524 -0.248 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430108 845757386 /nfs/dbraw/zinc/75/73/86/845757386.db2.gz GVUDZJCMOIXUKU-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430108 845757384 /nfs/dbraw/zinc/75/73/84/845757384.db2.gz GVUDZJCMOIXUKU-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430636 845757334 /nfs/dbraw/zinc/75/73/34/845757334.db2.gz NQFZJDDZWBJTMV-IKGGRYGDSA-N 2 1 357.495 -0.115 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430637 845756841 /nfs/dbraw/zinc/75/68/41/845756841.db2.gz NQFZJDDZWBJTMV-ZACQAIPSSA-N 2 1 357.495 -0.115 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223431306 845757125 /nfs/dbraw/zinc/75/71/25/845757125.db2.gz WZCUXJXOVLXIOT-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](C)C ZINC001223439496 845757035 /nfs/dbraw/zinc/75/70/35/845757035.db2.gz YEFMRYSGMDLNHW-VNHYZAJKSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](C)C ZINC001223439496 845757031 /nfs/dbraw/zinc/75/70/31/845757031.db2.gz YEFMRYSGMDLNHW-VNHYZAJKSA-N 2 1 353.467 -0.310 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500377 845758180 /nfs/dbraw/zinc/75/81/80/845758180.db2.gz RRUJETQLKZZVAJ-MCIONIFRSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500377 845758177 /nfs/dbraw/zinc/75/81/77/845758177.db2.gz RRUJETQLKZZVAJ-MCIONIFRSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500377 845758173 /nfs/dbraw/zinc/75/81/73/845758173.db2.gz RRUJETQLKZZVAJ-MCIONIFRSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500377 845758169 /nfs/dbraw/zinc/75/81/69/845758169.db2.gz RRUJETQLKZZVAJ-MCIONIFRSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500379 845758217 /nfs/dbraw/zinc/75/82/17/845758217.db2.gz RRUJETQLKZZVAJ-MJBXVCDLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500379 845758213 /nfs/dbraw/zinc/75/82/13/845758213.db2.gz RRUJETQLKZZVAJ-MJBXVCDLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500379 845758208 /nfs/dbraw/zinc/75/82/08/845758208.db2.gz RRUJETQLKZZVAJ-MJBXVCDLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC001223500379 845758202 /nfs/dbraw/zinc/75/82/02/845758202.db2.gz RRUJETQLKZZVAJ-MJBXVCDLSA-N 2 1 351.451 -0.412 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505520 845757905 /nfs/dbraw/zinc/75/79/05/845757905.db2.gz GNYPCYCMLHJMJK-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505520 845757898 /nfs/dbraw/zinc/75/78/98/845757898.db2.gz GNYPCYCMLHJMJK-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505520 845757889 /nfs/dbraw/zinc/75/78/89/845757889.db2.gz GNYPCYCMLHJMJK-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505520 845757879 /nfs/dbraw/zinc/75/78/79/845757879.db2.gz GNYPCYCMLHJMJK-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505521 845758379 /nfs/dbraw/zinc/75/83/79/845758379.db2.gz GNYPCYCMLHJMJK-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505521 845758374 /nfs/dbraw/zinc/75/83/74/845758374.db2.gz GNYPCYCMLHJMJK-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505521 845758371 /nfs/dbraw/zinc/75/83/71/845758371.db2.gz GNYPCYCMLHJMJK-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223505521 845758367 /nfs/dbraw/zinc/75/83/67/845758367.db2.gz GNYPCYCMLHJMJK-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001223512907 845759409 /nfs/dbraw/zinc/75/94/09/845759409.db2.gz QTCTXHGIFWGBAN-ILXRZTDVSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001223512907 845759404 /nfs/dbraw/zinc/75/94/04/845759404.db2.gz QTCTXHGIFWGBAN-ILXRZTDVSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1)[NH+](C)C ZINC001223522249 845759552 /nfs/dbraw/zinc/75/95/52/845759552.db2.gz OCEIISXEWPCYAX-RDBSUJKOSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1)[NH+](C)C ZINC001223522249 845759549 /nfs/dbraw/zinc/75/95/49/845759549.db2.gz OCEIISXEWPCYAX-RDBSUJKOSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@H](COCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCC1 ZINC001223534210 845759237 /nfs/dbraw/zinc/75/92/37/845759237.db2.gz HZMUNKQEUPZJFH-OAGGEKHMSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](COCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCC1 ZINC001223534210 845759232 /nfs/dbraw/zinc/75/92/32/845759232.db2.gz HZMUNKQEUPZJFH-OAGGEKHMSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H](COCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCC1 ZINC001223534211 845759353 /nfs/dbraw/zinc/75/93/53/845759353.db2.gz HZMUNKQEUPZJFH-XHSDSOJGSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H](COCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCC1 ZINC001223534211 845759348 /nfs/dbraw/zinc/75/93/48/845759348.db2.gz HZMUNKQEUPZJFH-XHSDSOJGSA-N 2 1 352.479 -0.105 20 0 FBADMP CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678434 845763913 /nfs/dbraw/zinc/76/39/13/845763913.db2.gz FDWUNEPIUMNIFX-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678434 845763905 /nfs/dbraw/zinc/76/39/05/845763905.db2.gz FDWUNEPIUMNIFX-CVEARBPZSA-N 2 1 352.479 -0.232 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678714 845764574 /nfs/dbraw/zinc/76/45/74/845764574.db2.gz LFNXPDIIQUJMHV-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678714 845764570 /nfs/dbraw/zinc/76/45/70/845764570.db2.gz LFNXPDIIQUJMHV-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678714 845764566 /nfs/dbraw/zinc/76/45/66/845764566.db2.gz LFNXPDIIQUJMHV-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678715 845764198 /nfs/dbraw/zinc/76/41/98/845764198.db2.gz LFNXPDIIQUJMHV-ZACQAIPSSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678715 845764191 /nfs/dbraw/zinc/76/41/91/845764191.db2.gz LFNXPDIIQUJMHV-ZACQAIPSSA-N 2 1 355.479 -0.361 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678715 845764187 /nfs/dbraw/zinc/76/41/87/845764187.db2.gz LFNXPDIIQUJMHV-ZACQAIPSSA-N 2 1 355.479 -0.361 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223678834 845764455 /nfs/dbraw/zinc/76/44/55/845764455.db2.gz PXVLDLKHSDOQMF-SJORKVTESA-N 2 1 355.479 -0.360 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223678834 845764451 /nfs/dbraw/zinc/76/44/51/845764451.db2.gz PXVLDLKHSDOQMF-SJORKVTESA-N 2 1 355.479 -0.360 20 0 FBADMP O=C(CCN1CCOCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223678834 845764447 /nfs/dbraw/zinc/76/44/47/845764447.db2.gz PXVLDLKHSDOQMF-SJORKVTESA-N 2 1 355.479 -0.360 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223721323 845766019 /nfs/dbraw/zinc/76/60/19/845766019.db2.gz HCTOJXZRZMRQKH-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223721323 845766016 /nfs/dbraw/zinc/76/60/16/845766016.db2.gz HCTOJXZRZMRQKH-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223726547 845766105 /nfs/dbraw/zinc/76/61/05/845766105.db2.gz ITYXMIXGBAYEDY-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223726547 845766104 /nfs/dbraw/zinc/76/61/04/845766104.db2.gz ITYXMIXGBAYEDY-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001223839423 845769063 /nfs/dbraw/zinc/76/90/63/845769063.db2.gz QUSLNFNHIPNGCI-KGLIPLIRSA-N 2 1 350.467 -0.127 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223840095 845769355 /nfs/dbraw/zinc/76/93/55/845769355.db2.gz YDUAAHCTVLLWEW-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223840095 845769351 /nfs/dbraw/zinc/76/93/51/845769351.db2.gz YDUAAHCTVLLWEW-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223840095 845769346 /nfs/dbraw/zinc/76/93/46/845769346.db2.gz YDUAAHCTVLLWEW-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223840095 845769343 /nfs/dbraw/zinc/76/93/43/845769343.db2.gz YDUAAHCTVLLWEW-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223840095 845769338 /nfs/dbraw/zinc/76/93/38/845769338.db2.gz YDUAAHCTVLLWEW-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223846308 845769788 /nfs/dbraw/zinc/76/97/88/845769788.db2.gz CLHIZFKMHPCQIC-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223846308 845769779 /nfs/dbraw/zinc/76/97/79/845769779.db2.gz CLHIZFKMHPCQIC-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223846308 845769770 /nfs/dbraw/zinc/76/97/70/845769770.db2.gz CLHIZFKMHPCQIC-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911180 845771194 /nfs/dbraw/zinc/77/11/94/845771194.db2.gz ATMVJUJNGSDGCI-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911180 845771191 /nfs/dbraw/zinc/77/11/91/845771191.db2.gz ATMVJUJNGSDGCI-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911180 845771188 /nfs/dbraw/zinc/77/11/88/845771188.db2.gz ATMVJUJNGSDGCI-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911180 845771185 /nfs/dbraw/zinc/77/11/85/845771185.db2.gz ATMVJUJNGSDGCI-MCIONIFRSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911182 845771422 /nfs/dbraw/zinc/77/14/22/845771422.db2.gz ATMVJUJNGSDGCI-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911182 845771414 /nfs/dbraw/zinc/77/14/14/845771414.db2.gz ATMVJUJNGSDGCI-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911182 845771405 /nfs/dbraw/zinc/77/14/05/845771405.db2.gz ATMVJUJNGSDGCI-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001223911182 845771400 /nfs/dbraw/zinc/77/14/00/845771400.db2.gz ATMVJUJNGSDGCI-MJBXVCDLSA-N 2 1 351.451 -0.554 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911750 845771232 /nfs/dbraw/zinc/77/12/32/845771232.db2.gz JUNDPSYQCOUYNJ-CABCVRRESA-N 2 1 370.519 -0.446 20 0 FBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916262 845771074 /nfs/dbraw/zinc/77/10/74/845771074.db2.gz DLJRKRGWBRFMDO-CVEARBPZSA-N 2 1 354.495 -0.034 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223916264 845771266 /nfs/dbraw/zinc/77/12/66/845771266.db2.gz DODZQCWGJKETMN-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223916446 845771780 /nfs/dbraw/zinc/77/17/80/845771780.db2.gz IWLJFGFIRFQGQU-CVEARBPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001223916457 845771250 /nfs/dbraw/zinc/77/12/50/845771250.db2.gz JIRJXCPEEBITMV-CVEARBPZSA-N 2 1 350.467 -0.221 20 0 FBADMP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916466 845771281 /nfs/dbraw/zinc/77/12/81/845771281.db2.gz JPHOQSWIEBALMU-ZBFHGGJFSA-N 2 1 350.467 -0.184 20 0 FBADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916466 845771276 /nfs/dbraw/zinc/77/12/76/845771276.db2.gz JPHOQSWIEBALMU-ZBFHGGJFSA-N 2 1 350.467 -0.184 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223946877 845771220 /nfs/dbraw/zinc/77/12/20/845771220.db2.gz NBSVWYYBPGOSQB-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223946877 845771215 /nfs/dbraw/zinc/77/12/15/845771215.db2.gz NBSVWYYBPGOSQB-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223962808 845771327 /nfs/dbraw/zinc/77/13/27/845771327.db2.gz UWEXNHZQVVICEI-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223962808 845771322 /nfs/dbraw/zinc/77/13/22/845771322.db2.gz UWEXNHZQVVICEI-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223962808 845771320 /nfs/dbraw/zinc/77/13/20/845771320.db2.gz UWEXNHZQVVICEI-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223962808 845771313 /nfs/dbraw/zinc/77/13/13/845771313.db2.gz UWEXNHZQVVICEI-KGLIPLIRSA-N 2 1 353.467 -0.164 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223977470 845772419 /nfs/dbraw/zinc/77/24/19/845772419.db2.gz CXHMMNLTSSFMFI-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223977470 845772415 /nfs/dbraw/zinc/77/24/15/845772415.db2.gz CXHMMNLTSSFMFI-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223977470 845772412 /nfs/dbraw/zinc/77/24/12/845772412.db2.gz CXHMMNLTSSFMFI-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223977470 845772406 /nfs/dbraw/zinc/77/24/06/845772406.db2.gz CXHMMNLTSSFMFI-KGLIPLIRSA-N 2 1 353.467 -0.293 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223985303 845772460 /nfs/dbraw/zinc/77/24/60/845772460.db2.gz YXUFNMUHKALDOJ-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223985303 845772457 /nfs/dbraw/zinc/77/24/57/845772457.db2.gz YXUFNMUHKALDOJ-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223985303 845772454 /nfs/dbraw/zinc/77/24/54/845772454.db2.gz YXUFNMUHKALDOJ-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223985303 845772450 /nfs/dbraw/zinc/77/24/50/845772450.db2.gz YXUFNMUHKALDOJ-CABCVRRESA-N 2 1 360.524 -0.200 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129554 845775334 /nfs/dbraw/zinc/77/53/34/845775334.db2.gz GWGMCUGESBYTIT-ILXRZTDVSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129554 845775329 /nfs/dbraw/zinc/77/53/29/845775329.db2.gz GWGMCUGESBYTIT-ILXRZTDVSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129554 845775323 /nfs/dbraw/zinc/77/53/23/845775323.db2.gz GWGMCUGESBYTIT-ILXRZTDVSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129555 845775247 /nfs/dbraw/zinc/77/52/47/845775247.db2.gz GWGMCUGESBYTIT-KFWWJZLASA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129555 845775240 /nfs/dbraw/zinc/77/52/40/845775240.db2.gz GWGMCUGESBYTIT-KFWWJZLASA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129555 845775239 /nfs/dbraw/zinc/77/52/39/845775239.db2.gz GWGMCUGESBYTIT-KFWWJZLASA-N 2 1 358.508 -0.590 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130556 845775371 /nfs/dbraw/zinc/77/53/71/845775371.db2.gz QEYHXKWVCKWUJE-KGLIPLIRSA-N 2 1 351.451 -0.539 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130556 845775369 /nfs/dbraw/zinc/77/53/69/845775369.db2.gz QEYHXKWVCKWUJE-KGLIPLIRSA-N 2 1 351.451 -0.539 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131196 845775025 /nfs/dbraw/zinc/77/50/25/845775025.db2.gz XJHRFRFRYMCGGZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131196 845775022 /nfs/dbraw/zinc/77/50/22/845775022.db2.gz XJHRFRFRYMCGGZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131196 845775018 /nfs/dbraw/zinc/77/50/18/845775018.db2.gz XJHRFRFRYMCGGZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131196 845775013 /nfs/dbraw/zinc/77/50/13/845775013.db2.gz XJHRFRFRYMCGGZ-MCIONIFRSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131198 845775486 /nfs/dbraw/zinc/77/54/86/845775486.db2.gz XJHRFRFRYMCGGZ-RDBSUJKOSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131198 845775482 /nfs/dbraw/zinc/77/54/82/845775482.db2.gz XJHRFRFRYMCGGZ-RDBSUJKOSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131198 845775478 /nfs/dbraw/zinc/77/54/78/845775478.db2.gz XJHRFRFRYMCGGZ-RDBSUJKOSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131198 845775471 /nfs/dbraw/zinc/77/54/71/845775471.db2.gz XJHRFRFRYMCGGZ-RDBSUJKOSA-N 2 1 351.451 -0.684 20 0 FBADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141273 845774924 /nfs/dbraw/zinc/77/49/24/845774924.db2.gz YEWIQNJADFLFSN-CABCVRRESA-N 2 1 358.508 -0.446 20 0 FBADMP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141273 845774917 /nfs/dbraw/zinc/77/49/17/845774917.db2.gz YEWIQNJADFLFSN-CABCVRRESA-N 2 1 358.508 -0.446 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001224191573 845777443 /nfs/dbraw/zinc/77/74/43/845777443.db2.gz VCJBZKMCJSGBRD-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001224191573 845777437 /nfs/dbraw/zinc/77/74/37/845777437.db2.gz VCJBZKMCJSGBRD-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224191573 845777430 /nfs/dbraw/zinc/77/74/30/845777430.db2.gz VCJBZKMCJSGBRD-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224191573 845777425 /nfs/dbraw/zinc/77/74/25/845777425.db2.gz VCJBZKMCJSGBRD-IKGGRYGDSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001224191580 845777804 /nfs/dbraw/zinc/77/78/04/845777804.db2.gz VCJBZKMCJSGBRD-IXDOHACOSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001224191580 845777797 /nfs/dbraw/zinc/77/77/97/845777797.db2.gz VCJBZKMCJSGBRD-IXDOHACOSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224191580 845777790 /nfs/dbraw/zinc/77/77/90/845777790.db2.gz VCJBZKMCJSGBRD-IXDOHACOSA-N 2 1 355.479 -0.361 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224191580 845777784 /nfs/dbraw/zinc/77/77/84/845777784.db2.gz VCJBZKMCJSGBRD-IXDOHACOSA-N 2 1 355.479 -0.361 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001224245738 845779608 /nfs/dbraw/zinc/77/96/08/845779608.db2.gz BJRPIDJQSFWDQU-CABCVRRESA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001224245738 845779602 /nfs/dbraw/zinc/77/96/02/845779602.db2.gz BJRPIDJQSFWDQU-CABCVRRESA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001224245738 845779595 /nfs/dbraw/zinc/77/95/95/845779595.db2.gz BJRPIDJQSFWDQU-CABCVRRESA-N 2 1 360.524 -0.201 20 0 FBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001224245738 845779590 /nfs/dbraw/zinc/77/95/90/845779590.db2.gz BJRPIDJQSFWDQU-CABCVRRESA-N 2 1 360.524 -0.201 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246018 845779922 /nfs/dbraw/zinc/77/99/22/845779922.db2.gz QNOPSKGDIFTEJZ-KGLIPLIRSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246018 845779918 /nfs/dbraw/zinc/77/99/18/845779918.db2.gz QNOPSKGDIFTEJZ-KGLIPLIRSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246018 845779914 /nfs/dbraw/zinc/77/99/14/845779914.db2.gz QNOPSKGDIFTEJZ-KGLIPLIRSA-N 2 1 353.467 -0.295 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246018 845779910 /nfs/dbraw/zinc/77/99/10/845779910.db2.gz QNOPSKGDIFTEJZ-KGLIPLIRSA-N 2 1 353.467 -0.295 20 0 FBADMP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001225345585 845802020 /nfs/dbraw/zinc/80/20/20/845802020.db2.gz AVTNCDFQZYMVHN-KFWWJZLASA-N 2 1 360.524 -0.011 20 0 FBADMP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001225345588 845801970 /nfs/dbraw/zinc/80/19/70/845801970.db2.gz AVTNCDFQZYMVHN-RBSFLKMASA-N 2 1 360.524 -0.011 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001225524168 845805042 /nfs/dbraw/zinc/80/50/42/845805042.db2.gz DPZZLTDDYRXWPE-BZUAXINKSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001225524168 845805035 /nfs/dbraw/zinc/80/50/35/845805035.db2.gz DPZZLTDDYRXWPE-BZUAXINKSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001225524170 845805432 /nfs/dbraw/zinc/80/54/32/845805432.db2.gz DPZZLTDDYRXWPE-OAGGEKHMSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001225524170 845805431 /nfs/dbraw/zinc/80/54/31/845805431.db2.gz DPZZLTDDYRXWPE-OAGGEKHMSA-N 2 1 352.479 -0.140 20 0 FBADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001225524961 845805158 /nfs/dbraw/zinc/80/51/58/845805158.db2.gz KMZHKHKGQMMXPN-BZUAXINKSA-N 2 1 352.479 -0.045 20 0 FBADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001225524961 845805145 /nfs/dbraw/zinc/80/51/45/845805145.db2.gz KMZHKHKGQMMXPN-BZUAXINKSA-N 2 1 352.479 -0.045 20 0 FBADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001225524970 845805209 /nfs/dbraw/zinc/80/52/09/845805209.db2.gz KMZHKHKGQMMXPN-OAGGEKHMSA-N 2 1 352.479 -0.045 20 0 FBADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001225524970 845805202 /nfs/dbraw/zinc/80/52/02/845805202.db2.gz KMZHKHKGQMMXPN-OAGGEKHMSA-N 2 1 352.479 -0.045 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001225525165 845805371 /nfs/dbraw/zinc/80/53/71/845805371.db2.gz MUSASBFTJFHFJA-BZUAXINKSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001225525165 845805365 /nfs/dbraw/zinc/80/53/65/845805365.db2.gz MUSASBFTJFHFJA-BZUAXINKSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001225525167 845805125 /nfs/dbraw/zinc/80/51/25/845805125.db2.gz MUSASBFTJFHFJA-OAGGEKHMSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001225525167 845805114 /nfs/dbraw/zinc/80/51/14/845805114.db2.gz MUSASBFTJFHFJA-OAGGEKHMSA-N 2 1 352.479 -0.140 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001225526049 845805401 /nfs/dbraw/zinc/80/54/01/845805401.db2.gz WSVODCIBCXABMP-KFWWJZLASA-N 2 1 361.508 -0.231 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001225526049 845805396 /nfs/dbraw/zinc/80/53/96/845805396.db2.gz WSVODCIBCXABMP-KFWWJZLASA-N 2 1 361.508 -0.231 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001225526054 845805183 /nfs/dbraw/zinc/80/51/83/845805183.db2.gz WSVODCIBCXABMP-RBSFLKMASA-N 2 1 361.508 -0.231 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001225526054 845805173 /nfs/dbraw/zinc/80/51/73/845805173.db2.gz WSVODCIBCXABMP-RBSFLKMASA-N 2 1 361.508 -0.231 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001226155872 845818850 /nfs/dbraw/zinc/81/88/50/845818850.db2.gz VSHZWUZNMISOMC-UHFFFAOYSA-N 2 1 358.483 -0.255 20 0 FBADMP COCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001226155872 845818842 /nfs/dbraw/zinc/81/88/42/845818842.db2.gz VSHZWUZNMISOMC-UHFFFAOYSA-N 2 1 358.483 -0.255 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226323696 845822636 /nfs/dbraw/zinc/82/26/36/845822636.db2.gz QJGFKFSKWYTNSL-AAVRWANBSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001226332952 845823177 /nfs/dbraw/zinc/82/31/77/845823177.db2.gz CRJCXLYWHWGZNQ-REWJHTLYSA-N 2 1 353.467 -0.071 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001226334754 845822945 /nfs/dbraw/zinc/82/29/45/845822945.db2.gz ZFGBAKYDYRBEEA-KBUPBQIOSA-N 2 1 360.524 -0.107 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226781891 845835781 /nfs/dbraw/zinc/83/57/81/845835781.db2.gz FDAMQZPIURIPPA-KFWWJZLASA-N 2 1 350.467 -0.424 20 0 FBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226781892 845835818 /nfs/dbraw/zinc/83/58/18/845835818.db2.gz FDAMQZPIURIPPA-RBSFLKMASA-N 2 1 350.467 -0.424 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831506 845837103 /nfs/dbraw/zinc/83/71/03/845837103.db2.gz QUJVCJUPCJMVEN-ZIAGYGMSSA-N 2 1 353.467 -0.057 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)O1 ZINC001227028814 845842550 /nfs/dbraw/zinc/84/25/50/845842550.db2.gz OBNWNVQFSLGFBT-KBUPBQIOSA-N 2 1 361.508 -0.233 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)O1 ZINC001227028814 845842540 /nfs/dbraw/zinc/84/25/40/845842540.db2.gz OBNWNVQFSLGFBT-KBUPBQIOSA-N 2 1 361.508 -0.233 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227092900 845843950 /nfs/dbraw/zinc/84/39/50/845843950.db2.gz WOPYWIQMFNOVKY-MCIONIFRSA-N 2 1 353.467 -0.057 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227092903 845843705 /nfs/dbraw/zinc/84/37/05/845843705.db2.gz WOPYWIQMFNOVKY-MGPQQGTHSA-N 2 1 353.467 -0.057 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227442778 845852458 /nfs/dbraw/zinc/85/24/58/845852458.db2.gz CXLCWFGEKCSWPB-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227442778 845852454 /nfs/dbraw/zinc/85/24/54/845852454.db2.gz CXLCWFGEKCSWPB-MBNYWOFBSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227442788 845852881 /nfs/dbraw/zinc/85/28/81/845852881.db2.gz CXLCWFGEKCSWPB-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227442788 845852873 /nfs/dbraw/zinc/85/28/73/845852873.db2.gz CXLCWFGEKCSWPB-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443002 845852515 /nfs/dbraw/zinc/85/25/15/845852515.db2.gz FZQUFMKPDFXWCV-UKRRQHHQSA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443002 845852513 /nfs/dbraw/zinc/85/25/13/845852513.db2.gz FZQUFMKPDFXWCV-UKRRQHHQSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443895 845852379 /nfs/dbraw/zinc/85/23/79/845852379.db2.gz LXHZNPGJJQLYRP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443895 845852373 /nfs/dbraw/zinc/85/23/73/845852373.db2.gz LXHZNPGJJQLYRP-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444181 845852962 /nfs/dbraw/zinc/85/29/62/845852962.db2.gz PLHGFIIIACNYHL-DJIMGWMZSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444187 845852622 /nfs/dbraw/zinc/85/26/22/845852622.db2.gz PLHGFIIIACNYHL-HYVNUMGLSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN(C)S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001227444317 845852291 /nfs/dbraw/zinc/85/22/91/845852291.db2.gz PZDJYTQDNDXQJV-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001227453834 845852647 /nfs/dbraw/zinc/85/26/47/845852647.db2.gz JXLMVXVADOYOSD-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001227453834 845852644 /nfs/dbraw/zinc/85/26/44/845852644.db2.gz JXLMVXVADOYOSD-UONOGXRCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001227453836 845852808 /nfs/dbraw/zinc/85/28/08/845852808.db2.gz JZKCRSJJRGMDQL-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001227453836 845852795 /nfs/dbraw/zinc/85/27/95/845852795.db2.gz JZKCRSJJRGMDQL-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001227453838 845852495 /nfs/dbraw/zinc/85/24/95/845852495.db2.gz JZKCRSJJRGMDQL-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001227453838 845852490 /nfs/dbraw/zinc/85/24/90/845852490.db2.gz JZKCRSJJRGMDQL-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001227454168 845852438 /nfs/dbraw/zinc/85/24/38/845852438.db2.gz OCYYWYWODCTLOW-LSDHHAIUSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001227454168 845852434 /nfs/dbraw/zinc/85/24/34/845852434.db2.gz OCYYWYWODCTLOW-LSDHHAIUSA-N 2 1 360.524 -0.154 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001227524536 845854714 /nfs/dbraw/zinc/85/47/14/845854714.db2.gz ACUNQCPACHVDQD-JHJVBQTASA-N 2 1 350.423 -0.208 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001227524542 845854893 /nfs/dbraw/zinc/85/48/93/845854893.db2.gz ACUNQCPACHVDQD-YNEHKIRRSA-N 2 1 350.423 -0.208 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227524929 845854817 /nfs/dbraw/zinc/85/48/17/845854817.db2.gz JKYAKBVXESXUHL-ZIAGYGMSSA-N 2 1 357.480 -0.242 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525323 845854697 /nfs/dbraw/zinc/85/46/97/845854697.db2.gz SJJWWCHIXBWDJY-CHWSQXEVSA-N 2 1 350.423 -0.336 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(CCCS(C)(=O)=O)CC2)O1 ZINC001227953237 845865275 /nfs/dbraw/zinc/86/52/75/845865275.db2.gz DVHMWSNKFKOIEM-UKRRQHHQSA-N 2 1 361.508 -0.279 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(CC(=O)NCC3CC3)CC2)O1 ZINC001227953261 845865218 /nfs/dbraw/zinc/86/52/18/845865218.db2.gz FGPMCPCUDLFWOE-CZUORRHYSA-N 2 1 352.479 -0.188 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001227957683 845866956 /nfs/dbraw/zinc/86/69/56/845866956.db2.gz MGWBEUFAVAHRDQ-MGPQQGTHSA-N 2 1 353.467 -0.057 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001227966995 845866740 /nfs/dbraw/zinc/86/67/40/845866740.db2.gz PZLVANKLQHVRNW-AWEZNQCLSA-N 2 1 355.483 -0.670 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001227967000 845866845 /nfs/dbraw/zinc/86/68/45/845866845.db2.gz PZLVANKLQHVRNW-CQSZACIVSA-N 2 1 355.483 -0.670 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001228188417 845871514 /nfs/dbraw/zinc/87/15/14/845871514.db2.gz ALQMMFIRVXYZMB-IGQOVBAYSA-N 2 1 353.467 -0.071 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228594536 845883362 /nfs/dbraw/zinc/88/33/62/845883362.db2.gz MKFKJZCLXNUBMK-BFHYXJOUSA-N 2 1 353.467 -0.057 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228594539 845883827 /nfs/dbraw/zinc/88/38/27/845883827.db2.gz MKFKJZCLXNUBMK-MGPQQGTHSA-N 2 1 353.467 -0.057 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228603700 845883615 /nfs/dbraw/zinc/88/36/15/845883615.db2.gz RVKQRSWFJGZXTK-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228603701 845883240 /nfs/dbraw/zinc/88/32/40/845883240.db2.gz RVKQRSWFJGZXTK-MGPQQGTHSA-N 2 1 353.467 -0.199 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001228604027 845883733 /nfs/dbraw/zinc/88/37/33/845883733.db2.gz VYGGIZBJDSWBRZ-RBSFLKMASA-N 2 1 360.524 -0.106 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001228604028 845883384 /nfs/dbraw/zinc/88/33/84/845883384.db2.gz VYGGIZBJDSWBRZ-RRFJBIMHSA-N 2 1 360.524 -0.106 20 0 FBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228617810 845883657 /nfs/dbraw/zinc/88/36/57/845883657.db2.gz CLMITJRJAPPQOE-CHWSQXEVSA-N 2 1 353.467 -0.070 20 0 FBADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229038562 845894176 /nfs/dbraw/zinc/89/41/76/845894176.db2.gz WLXRKHZINFUGCP-CYZMBNFOSA-N 2 1 350.423 -0.200 20 0 FBADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229038564 845894685 /nfs/dbraw/zinc/89/46/85/845894685.db2.gz WLXRKHZINFUGCP-RAIGVLPGSA-N 2 1 350.423 -0.200 20 0 FBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001229141319 845896360 /nfs/dbraw/zinc/89/63/60/845896360.db2.gz BFFFOLFLCBQYKV-HZPDHXFCSA-N 2 1 352.479 -0.042 20 0 FBADMP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229141687 845896993 /nfs/dbraw/zinc/89/69/93/845896993.db2.gz HSYZJCDQDYCTJT-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229141691 845896303 /nfs/dbraw/zinc/89/63/03/845896303.db2.gz HSYZJCDQDYCTJT-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141931 845896385 /nfs/dbraw/zinc/89/63/85/845896385.db2.gz NIMGEIIYEOGPHG-HUUCEWRRSA-N 2 1 361.508 -0.230 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229523276 845905933 /nfs/dbraw/zinc/90/59/33/845905933.db2.gz FKKIPPHLKDGBDR-ZIAGYGMSSA-N 2 1 353.467 -0.103 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001229691740 845909671 /nfs/dbraw/zinc/90/96/71/845909671.db2.gz ACMNVQYSAXANLD-RBSFLKMASA-N 2 1 360.524 -0.106 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001229691743 845909869 /nfs/dbraw/zinc/90/98/69/845909869.db2.gz ACMNVQYSAXANLD-RRFJBIMHSA-N 2 1 360.524 -0.106 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692270 845909261 /nfs/dbraw/zinc/90/92/61/845909261.db2.gz FYERXHHPFPDLIB-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692277 845909493 /nfs/dbraw/zinc/90/94/93/845909493.db2.gz FYERXHHPFPDLIB-MGPQQGTHSA-N 2 1 353.467 -0.199 20 0 FBADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001229710637 845910611 /nfs/dbraw/zinc/91/06/11/845910611.db2.gz RJXHRGPTKAODIL-BFHYXJOUSA-N 2 1 353.471 -0.134 20 0 FBADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001229710641 845910493 /nfs/dbraw/zinc/91/04/93/845910493.db2.gz RJXHRGPTKAODIL-MGPQQGTHSA-N 2 1 353.471 -0.134 20 0 FBADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001229810580 845912913 /nfs/dbraw/zinc/91/29/13/845912913.db2.gz RZPPQBQZZXQCJQ-UHFFFAOYSA-N 2 1 358.483 -0.519 20 0 FBADMP CC[N@H+](CCO)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001229810580 845912907 /nfs/dbraw/zinc/91/29/07/845912907.db2.gz RZPPQBQZZXQCJQ-UHFFFAOYSA-N 2 1 358.483 -0.519 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229868232 845913642 /nfs/dbraw/zinc/91/36/42/845913642.db2.gz DVXHJISQRRUSAQ-ZIAGYGMSSA-N 2 1 353.467 -0.103 20 0 FBADMP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001229957765 845916387 /nfs/dbraw/zinc/91/63/87/845916387.db2.gz YDKIOMBOAOQFCS-XNJGSVPQSA-N 2 1 351.451 -0.316 20 0 FBADMP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001230137978 845921387 /nfs/dbraw/zinc/92/13/87/845921387.db2.gz AHOUZXHJUVPSBD-RBSFLKMASA-N 2 1 360.524 -0.154 20 0 FBADMP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001230137979 845921263 /nfs/dbraw/zinc/92/12/63/845921263.db2.gz AHOUZXHJUVPSBD-RRFJBIMHSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138264 845920880 /nfs/dbraw/zinc/92/08/80/845920880.db2.gz MFCMMBPOUSBDEM-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138265 845921409 /nfs/dbraw/zinc/92/14/09/845921409.db2.gz MFCMMBPOUSBDEM-MGPQQGTHSA-N 2 1 353.467 -0.199 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230141477 845922321 /nfs/dbraw/zinc/92/23/21/845922321.db2.gz MOKYDSFKMHYJTM-RBSFLKMASA-N 2 1 360.524 -0.106 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230141478 845922154 /nfs/dbraw/zinc/92/21/54/845922154.db2.gz MOKYDSFKMHYJTM-RRFJBIMHSA-N 2 1 360.524 -0.106 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001230147291 845922397 /nfs/dbraw/zinc/92/23/97/845922397.db2.gz BMKWGZXEBBJQAS-CYZMBNFOSA-N 2 1 350.423 -0.208 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001230147293 845922339 /nfs/dbraw/zinc/92/23/39/845922339.db2.gz BMKWGZXEBBJQAS-RAIGVLPGSA-N 2 1 350.423 -0.208 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147667 845922058 /nfs/dbraw/zinc/92/20/58/845922058.db2.gz LMWCZFPDAHDTFO-CHWSQXEVSA-N 2 1 350.423 -0.336 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001230147674 845922168 /nfs/dbraw/zinc/92/21/68/845922168.db2.gz LTYHFKJXNWCJPE-ZIAGYGMSSA-N 2 1 357.480 -0.242 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230215510 845926031 /nfs/dbraw/zinc/92/60/31/845926031.db2.gz QGCVDFBISDRONT-KFWWJZLASA-N 2 1 361.508 -0.231 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230215511 845925964 /nfs/dbraw/zinc/92/59/64/845925964.db2.gz QGCVDFBISDRONT-RBSFLKMASA-N 2 1 361.508 -0.231 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001230284759 845928659 /nfs/dbraw/zinc/92/86/59/845928659.db2.gz UCXKGXSQDCLVOT-ZIAGYGMSSA-N 2 1 353.467 -0.105 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001230857451 845941499 /nfs/dbraw/zinc/94/14/99/845941499.db2.gz BHAIQYRYYMBWRP-ZDUSSCGKSA-N 2 1 363.528 -0.231 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001230857451 845941492 /nfs/dbraw/zinc/94/14/92/845941492.db2.gz BHAIQYRYYMBWRP-ZDUSSCGKSA-N 2 1 363.528 -0.231 20 0 FBADMP CCS(=O)(=O)NCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401178 846013842 /nfs/dbraw/zinc/01/38/42/846013842.db2.gz CDLJVCMBKPUQQI-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401182 846013441 /nfs/dbraw/zinc/01/34/41/846013441.db2.gz CDLJVCMBKPUQQI-RBSFLKMASA-N 2 1 360.524 -0.201 20 0 FBADMP COCCN1CC[N@@H+](C)C2(CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)C1=O ZINC001235455177 846028004 /nfs/dbraw/zinc/02/80/04/846028004.db2.gz UORATROCXIJJLL-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP COCCN1CC[N@H+](C)C2(CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)C1=O ZINC001235455177 846028000 /nfs/dbraw/zinc/02/80/00/846028000.db2.gz UORATROCXIJJLL-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP CC1(C)NC[C@@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)O1 ZINC001235528178 846029328 /nfs/dbraw/zinc/02/93/28/846029328.db2.gz ZAUFPRFXIVAULX-YHUYYLMFSA-N 2 1 353.463 -0.093 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]2C1 ZINC001235547589 846029235 /nfs/dbraw/zinc/02/92/35/846029235.db2.gz QPUKUFKHCCHVSS-OWCLPIDISA-N 2 1 354.495 -0.178 20 0 FBADMP [NH3+]CCCC[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001235549735 846030555 /nfs/dbraw/zinc/03/05/55/846030555.db2.gz IHFFWJARWAREBA-RBSFLKMASA-N 2 1 359.492 -0.681 20 0 FBADMP [NH3+]CCCC[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001235549737 846030881 /nfs/dbraw/zinc/03/08/81/846030881.db2.gz IHFFWJARWAREBA-RRFJBIMHSA-N 2 1 359.492 -0.681 20 0 FBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235604564 846030355 /nfs/dbraw/zinc/03/03/55/846030355.db2.gz FWVIMHQBCIUVLM-NEXGVSGLSA-N 2 1 355.479 -0.066 20 0 FBADMP C[NH+]1CCN(C2CC[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)CC1 ZINC001235665557 846031956 /nfs/dbraw/zinc/03/19/56/846031956.db2.gz OZUWSJPEPLROOH-YVSFHVDLSA-N 2 1 355.479 -0.065 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2CCNC(=O)C2CC2)O1 ZINC001235722972 846031837 /nfs/dbraw/zinc/03/18/37/846031837.db2.gz NGWCVSKIFXQCHS-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2CCNC(=O)C2CC2)O1 ZINC001235722972 846031830 /nfs/dbraw/zinc/03/18/30/846031830.db2.gz NGWCVSKIFXQCHS-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2CCNC(=O)C2CC2)O1 ZINC001235722974 846031726 /nfs/dbraw/zinc/03/17/26/846031726.db2.gz NGWCVSKIFXQCHS-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2CCNC(=O)C2CC2)O1 ZINC001235722974 846031723 /nfs/dbraw/zinc/03/17/23/846031723.db2.gz NGWCVSKIFXQCHS-VNQPRFMTSA-N 2 1 352.479 -0.236 20 0 FBADMP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCN(C4(C)CC[NH2+]CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235814959 846032061 /nfs/dbraw/zinc/03/20/61/846032061.db2.gz HNTKIQQHLOCAGY-FZKCQIBNSA-N 2 1 355.479 -0.017 20 0 FBADMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]CCNCC[NH2+]CC3)s2)CC1 ZINC001235872063 846033474 /nfs/dbraw/zinc/03/34/74/846033474.db2.gz WTYDMECRVFDOHI-UHFFFAOYSA-N 3 1 367.567 -0.521 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCC1=O ZINC001235961466 846033079 /nfs/dbraw/zinc/03/30/79/846033079.db2.gz BEQZIXZUPCURFY-UKMLZYKCSA-N 2 1 357.451 -0.680 20 0 FBADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCC1=O ZINC001235961466 846033065 /nfs/dbraw/zinc/03/30/65/846033065.db2.gz BEQZIXZUPCURFY-UKMLZYKCSA-N 2 1 357.451 -0.680 20 0 FBADMP C[NH+]1CCN(c2ncc(NS(=O)(=O)CC3CC[NH2+]CC3)cn2)CC1 ZINC001237493664 846040397 /nfs/dbraw/zinc/04/03/97/846040397.db2.gz RENFCJABHAHZOW-UHFFFAOYSA-N 2 1 354.480 -0.030 20 0 FBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NS(=O)(=O)CC[NH3+])cc1 ZINC001237706117 846046274 /nfs/dbraw/zinc/04/62/74/846046274.db2.gz OXRVLVSRGAMLIM-UHFFFAOYSA-N 2 1 369.491 -0.403 20 0 FBADMP COc1cc2c(cc1NS(=O)(=O)[C@@H]1CC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001237987448 846052885 /nfs/dbraw/zinc/05/28/85/846052885.db2.gz SABGDTVMWRPADJ-HWPZZCPQSA-N 2 1 366.443 -0.018 20 0 FBADMP COc1cc2c(cc1NS(=O)(=O)[C@H]1CC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001237987461 846052838 /nfs/dbraw/zinc/05/28/38/846052838.db2.gz SABGDTVMWRPADJ-MGPLVRAMSA-N 2 1 366.443 -0.018 20 0 FBADMP COc1cc2c(cc1NS(=O)(=O)[C@H]1CC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001237987467 846052680 /nfs/dbraw/zinc/05/26/80/846052680.db2.gz SABGDTVMWRPADJ-QFYYESIMSA-N 2 1 366.443 -0.018 20 0 FBADMP COc1cc2c(cc1NS(=O)(=O)[C@@H]1CC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001237987472 846052544 /nfs/dbraw/zinc/05/25/44/846052544.db2.gz SABGDTVMWRPADJ-QLJPJBMISA-N 2 1 366.443 -0.018 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001238157343 846054283 /nfs/dbraw/zinc/05/42/83/846054283.db2.gz JDWDXNJULSBQPG-UHFFFAOYSA-N 2 1 350.467 -0.182 20 0 FBADMP O=c1cc(CNS(=O)(=O)CC2CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001238292765 846056892 /nfs/dbraw/zinc/05/68/92/846056892.db2.gz OHBFECJVOGFCRA-UHFFFAOYSA-N 2 1 355.464 -0.844 20 0 FBADMP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001238879401 846068698 /nfs/dbraw/zinc/06/86/98/846068698.db2.gz JWDLQAVAEOBMPN-UHFFFAOYSA-N 2 1 361.859 -0.225 20 0 FBADMP CO[C@@H]1CCN(S(=O)(=O)CC[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001239076497 846074324 /nfs/dbraw/zinc/07/43/24/846074324.db2.gz DFCDUBJIHTYFBT-ARFHVFGLSA-N 2 1 354.476 -0.109 20 0 FBADMP CO[C@@H]1CCN(S(=O)(=O)CC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001239076497 846074321 /nfs/dbraw/zinc/07/43/21/846074321.db2.gz DFCDUBJIHTYFBT-ARFHVFGLSA-N 2 1 354.476 -0.109 20 0 FBADMP CNC(=O)C[N@H+]1CCCC12CCN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239076970 846073843 /nfs/dbraw/zinc/07/38/43/846073843.db2.gz VSDFGVARMNSDEO-UHFFFAOYSA-N 2 1 372.535 -0.008 20 0 FBADMP Cc1cccc(CO[C@H]2C[C@@H]3CN(S(=O)(=O)CC[NH3+])CC[N@H+]3C2)n1 ZINC001239076997 846074274 /nfs/dbraw/zinc/07/42/74/846074274.db2.gz VYPBGWLMZCYYGX-CVEARBPZSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@H]2C[C@@H]3CN(S(=O)(=O)CC[NH3+])CC[N@@H+]3C2)n1 ZINC001239076997 846074271 /nfs/dbraw/zinc/07/42/71/846074271.db2.gz VYPBGWLMZCYYGX-CVEARBPZSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@H]2C[C@H]3CN(S(=O)(=O)CC[NH3+])CC[N@H+]3C2)n1 ZINC001239076998 846073909 /nfs/dbraw/zinc/07/39/09/846073909.db2.gz VYPBGWLMZCYYGX-HOTGVXAUSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@H]2C[C@H]3CN(S(=O)(=O)CC[NH3+])CC[N@@H+]3C2)n1 ZINC001239076998 846073896 /nfs/dbraw/zinc/07/38/96/846073896.db2.gz VYPBGWLMZCYYGX-HOTGVXAUSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@@H]2C[C@@H]3CN(S(=O)(=O)CC[NH3+])CC[N@H+]3C2)n1 ZINC001239076999 846074223 /nfs/dbraw/zinc/07/42/23/846074223.db2.gz VYPBGWLMZCYYGX-HZPDHXFCSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@@H]2C[C@@H]3CN(S(=O)(=O)CC[NH3+])CC[N@@H+]3C2)n1 ZINC001239076999 846074220 /nfs/dbraw/zinc/07/42/20/846074220.db2.gz VYPBGWLMZCYYGX-HZPDHXFCSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@@H]2C[C@H]3CN(S(=O)(=O)CC[NH3+])CC[N@H+]3C2)n1 ZINC001239077000 846074171 /nfs/dbraw/zinc/07/41/71/846074171.db2.gz VYPBGWLMZCYYGX-JKSUJKDBSA-N 2 1 354.476 -0.046 20 0 FBADMP Cc1cccc(CO[C@@H]2C[C@H]3CN(S(=O)(=O)CC[NH3+])CC[N@@H+]3C2)n1 ZINC001239077000 846074163 /nfs/dbraw/zinc/07/41/63/846074163.db2.gz VYPBGWLMZCYYGX-JKSUJKDBSA-N 2 1 354.476 -0.046 20 0 FBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239077540 846074462 /nfs/dbraw/zinc/07/44/62/846074462.db2.gz IOUDIQHHKCHYCJ-UHFFFAOYSA-N 2 1 357.480 -0.422 20 0 FBADMP [NH3+]CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001239078129 846075820 /nfs/dbraw/zinc/07/58/20/846075820.db2.gz YFCSPLLRQJZWIC-PMPSAXMXSA-N 2 1 368.507 -0.259 20 0 FBADMP [NH3+]CCS(=O)(=O)N1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001239080474 846075121 /nfs/dbraw/zinc/07/51/21/846075121.db2.gz AGNMKEXICOITRI-HZPDHXFCSA-N 2 1 354.476 -0.107 20 0 FBADMP [NH3+]CCS(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001239080474 846075114 /nfs/dbraw/zinc/07/51/14/846075114.db2.gz AGNMKEXICOITRI-HZPDHXFCSA-N 2 1 354.476 -0.107 20 0 FBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(S(=O)(=O)CC[NH3+])C3)O2)CC1 ZINC001239080661 846075474 /nfs/dbraw/zinc/07/54/74/846075474.db2.gz HMIAGKOUJUXKER-HZPDHXFCSA-N 2 1 360.524 -0.464 20 0 FBADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239081093 846075223 /nfs/dbraw/zinc/07/52/23/846075223.db2.gz JNFFKZHFKFCJLY-ILXRZTDVSA-N 2 1 356.496 -0.260 20 0 FBADMP [NH3+]CCS(=O)(=O)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001239082051 846075428 /nfs/dbraw/zinc/07/54/28/846075428.db2.gz PNDLUHQXCIQYMH-HZPDHXFCSA-N 2 1 354.476 -0.107 20 0 FBADMP [NH3+]CCS(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001239082051 846075424 /nfs/dbraw/zinc/07/54/24/846075424.db2.gz PNDLUHQXCIQYMH-HZPDHXFCSA-N 2 1 354.476 -0.107 20 0 FBADMP C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC001239091737 846076450 /nfs/dbraw/zinc/07/64/50/846076450.db2.gz QVXAXBYJSNZHHH-UHFFFAOYSA-N 2 1 372.535 -0.198 20 0 FBADMP [NH3+]CCOCCOCCOCCNC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245990457 846092667 /nfs/dbraw/zinc/09/26/67/846092667.db2.gz CUSGQQHTWZDAME-ZWKOTPCHSA-N 2 1 355.479 -0.485 20 0 FBADMP CCC(CC)[C@@H]([NH2+]C[C@]1(O)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246010151 846092382 /nfs/dbraw/zinc/09/23/82/846092382.db2.gz XRDHQFOODIXYTJ-AIVZJVSBSA-N 3 1 357.495 -0.398 20 0 FBADMP CCC(CC)[C@@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246010157 846092561 /nfs/dbraw/zinc/09/25/61/846092561.db2.gz XRDHQFOODIXYTJ-DGYIVEFISA-N 3 1 357.495 -0.398 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021481 846092627 /nfs/dbraw/zinc/09/26/27/846092627.db2.gz NELQKPZDCQFSEO-BLQKSXIESA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021481 846092616 /nfs/dbraw/zinc/09/26/16/846092616.db2.gz NELQKPZDCQFSEO-BLQKSXIESA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021482 846092964 /nfs/dbraw/zinc/09/29/64/846092964.db2.gz NELQKPZDCQFSEO-LTTZEQNMSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021482 846092958 /nfs/dbraw/zinc/09/29/58/846092958.db2.gz NELQKPZDCQFSEO-LTTZEQNMSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021483 846092712 /nfs/dbraw/zinc/09/27/12/846092712.db2.gz NELQKPZDCQFSEO-MVWHLILJSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021483 846092707 /nfs/dbraw/zinc/09/27/07/846092707.db2.gz NELQKPZDCQFSEO-MVWHLILJSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021884 846092902 /nfs/dbraw/zinc/09/29/02/846092902.db2.gz NELQKPZDCQFSEO-MZORAGNBSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@@H]1O ZINC001246021884 846092898 /nfs/dbraw/zinc/09/28/98/846092898.db2.gz NELQKPZDCQFSEO-MZORAGNBSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021885 846092949 /nfs/dbraw/zinc/09/29/49/846092949.db2.gz NELQKPZDCQFSEO-PHKINGBFSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021885 846092945 /nfs/dbraw/zinc/09/29/45/846092945.db2.gz NELQKPZDCQFSEO-PHKINGBFSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021886 846092454 /nfs/dbraw/zinc/09/24/54/846092454.db2.gz NELQKPZDCQFSEO-UGGSBELWSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021886 846092442 /nfs/dbraw/zinc/09/24/42/846092442.db2.gz NELQKPZDCQFSEO-UGGSBELWSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021887 846092768 /nfs/dbraw/zinc/09/27/68/846092768.db2.gz NELQKPZDCQFSEO-YVFQKMDQSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021887 846092762 /nfs/dbraw/zinc/09/27/62/846092762.db2.gz NELQKPZDCQFSEO-YVFQKMDQSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021888 846092732 /nfs/dbraw/zinc/09/27/32/846092732.db2.gz NELQKPZDCQFSEO-ZWMNYZCKSA-N 2 1 353.373 -0.242 20 0 FBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)C[C@H]1O ZINC001246021888 846092727 /nfs/dbraw/zinc/09/27/27/846092727.db2.gz NELQKPZDCQFSEO-ZWMNYZCKSA-N 2 1 353.373 -0.242 20 0 FBADMP COC(=O)c1ccc([C@@H]([NH3+])CNC[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022953 846092685 /nfs/dbraw/zinc/09/26/85/846092685.db2.gz YSQAGFNARHPRMU-CVEARBPZSA-N 2 1 351.447 -0.072 20 0 FBADMP COC(=O)c1ccc([C@@H]([NH3+])CNC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022955 846092314 /nfs/dbraw/zinc/09/23/14/846092314.db2.gz YSQAGFNARHPRMU-HOTGVXAUSA-N 2 1 351.447 -0.072 20 0 FBADMP COC(=O)c1ccc([C@H]([NH3+])CNC[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022956 846092864 /nfs/dbraw/zinc/09/28/64/846092864.db2.gz YSQAGFNARHPRMU-HZPDHXFCSA-N 2 1 351.447 -0.072 20 0 FBADMP COC(=O)c1ccc([C@H]([NH3+])CNC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022957 846092401 /nfs/dbraw/zinc/09/24/01/846092401.db2.gz YSQAGFNARHPRMU-JKSUJKDBSA-N 2 1 351.447 -0.072 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@H]1C2 ZINC001246044975 846093737 /nfs/dbraw/zinc/09/37/37/846093737.db2.gz IMHSOUQYCNXKSI-JFBPSJKJSA-N 2 1 353.463 -0.990 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@H]1C2 ZINC001246044980 846093455 /nfs/dbraw/zinc/09/34/55/846093455.db2.gz IMHSOUQYCNXKSI-QFXBJFAPSA-N 2 1 353.463 -0.990 20 0 FBADMP CCOC(=O)[C@]12CN(C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048280 846093987 /nfs/dbraw/zinc/09/39/87/846093987.db2.gz WHLKVCJSQBWYIZ-IIDMSEBBSA-N 2 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@]12C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048280 846093982 /nfs/dbraw/zinc/09/39/82/846093982.db2.gz WHLKVCJSQBWYIZ-IIDMSEBBSA-N 2 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@]12CN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048282 846093707 /nfs/dbraw/zinc/09/37/07/846093707.db2.gz WHLKVCJSQBWYIZ-RVKKMQEKSA-N 2 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048282 846093702 /nfs/dbraw/zinc/09/37/02/846093702.db2.gz WHLKVCJSQBWYIZ-RVKKMQEKSA-N 2 1 355.479 -0.674 20 0 FBADMP O[C@@H](COCC(F)(F)C(F)F)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055173 846093945 /nfs/dbraw/zinc/09/39/45/846093945.db2.gz LRESUGGXIUKRCZ-GFCCVEGCSA-N 2 1 360.396 -0.651 20 0 FBADMP O[C@H](COCC(F)(F)C(F)F)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055174 846093745 /nfs/dbraw/zinc/09/37/45/846093745.db2.gz LRESUGGXIUKRCZ-LBPRGKRZSA-N 2 1 360.396 -0.651 20 0 FBADMP CCOC(=O)C1CCC(O)(CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246056356 846093439 /nfs/dbraw/zinc/09/34/39/846093439.db2.gz OSMCPXKSHPYVGN-UHFFFAOYSA-N 2 1 356.511 -0.445 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061694 846093677 /nfs/dbraw/zinc/09/36/77/846093677.db2.gz USFKAZYKRVJCAW-CABCVRRESA-N 2 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061695 846093622 /nfs/dbraw/zinc/09/36/22/846093622.db2.gz USFKAZYKRVJCAW-GJZGRUSLSA-N 2 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061697 846094680 /nfs/dbraw/zinc/09/46/80/846094680.db2.gz USFKAZYKRVJCAW-HUUCEWRRSA-N 3 1 355.479 -0.674 20 0 FBADMP CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061700 846094553 /nfs/dbraw/zinc/09/45/53/846094553.db2.gz USFKAZYKRVJCAW-LSDHHAIUSA-N 3 1 355.479 -0.674 20 0 FBADMP COC(=O)C1(CN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246092412 846094766 /nfs/dbraw/zinc/09/47/66/846094766.db2.gz CBOYRCIXZRDLFR-OLZOCXBDSA-N 2 1 356.492 -0.618 20 0 FBADMP COC(=O)C1(CN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246092413 846094793 /nfs/dbraw/zinc/09/47/93/846094793.db2.gz CBOYRCIXZRDLFR-STQMWFEESA-N 2 1 356.492 -0.618 20 0 FBADMP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246189690 846095657 /nfs/dbraw/zinc/09/56/57/846095657.db2.gz DKZLUMHAAAKAMF-OCCSQVGLSA-N 2 1 368.503 -0.043 20 0 FBADMP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246189694 846095640 /nfs/dbraw/zinc/09/56/40/846095640.db2.gz DKZLUMHAAAKAMF-TZMCWYRMSA-N 2 1 368.503 -0.043 20 0 FBADMP O=C([C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246250006 846096044 /nfs/dbraw/zinc/09/60/44/846096044.db2.gz SLRNLEYMJBCRRV-ILXRZTDVSA-N 2 1 354.520 -0.002 20 0 FBADMP O=C([C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246250008 846096989 /nfs/dbraw/zinc/09/69/89/846096989.db2.gz SLRNLEYMJBCRRV-KFWWJZLASA-N 2 1 354.520 -0.002 20 0 FBADMP O=C([C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246250009 846097112 /nfs/dbraw/zinc/09/71/12/846097112.db2.gz SLRNLEYMJBCRRV-KKUMJFAQSA-N 2 1 354.520 -0.002 20 0 FBADMP O=C([C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246250011 846097142 /nfs/dbraw/zinc/09/71/42/846097142.db2.gz SLRNLEYMJBCRRV-ZNMIVQPWSA-N 2 1 354.520 -0.002 20 0 FBADMP [NH3+]CCOCCOCCOCCOCCOCCNC1CC[NH2+]CC1 ZINC001246275513 846097051 /nfs/dbraw/zinc/09/70/51/846097051.db2.gz WANIYBGSESNLBS-UHFFFAOYSA-N 2 1 363.499 -0.630 20 0 FBADMP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCNC1 ZINC001246276096 846096814 /nfs/dbraw/zinc/09/68/14/846096814.db2.gz ZSIKYVNSGADULX-KRWDZBQOSA-N 2 1 363.499 -0.630 20 0 FBADMP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCNC1 ZINC001246276098 846096856 /nfs/dbraw/zinc/09/68/56/846096856.db2.gz ZSIKYVNSGADULX-QGZVFWFLSA-N 2 1 363.499 -0.630 20 0 FBADMP CCOC(=O)C1(CN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246314494 846096878 /nfs/dbraw/zinc/09/68/78/846096878.db2.gz BTNOYLRUAZRCPL-KBPBESRZSA-N 2 1 370.519 -0.228 20 0 FBADMP CCOC(=O)C1(CN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246314497 846096755 /nfs/dbraw/zinc/09/67/55/846096755.db2.gz BTNOYLRUAZRCPL-KGLIPLIRSA-N 2 1 370.519 -0.228 20 0 FBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1 ZINC001246355758 846097991 /nfs/dbraw/zinc/09/79/91/846097991.db2.gz CXNVDWFUNPUGOH-HOCLYGCPSA-N 2 1 352.479 -0.044 20 0 FBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1 ZINC001246355779 846098178 /nfs/dbraw/zinc/09/81/78/846098178.db2.gz CXNVDWFUNPUGOH-ZBFHGGJFSA-N 2 1 352.479 -0.044 20 0 FBADMP O=C([C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246369569 846098160 /nfs/dbraw/zinc/09/81/60/846098160.db2.gz GEALVWDEVLDGAX-DZKIICNBSA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246369579 846098212 /nfs/dbraw/zinc/09/82/12/846098212.db2.gz GEALVWDEVLDGAX-FMKPAKJESA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246369582 846097586 /nfs/dbraw/zinc/09/75/86/846097586.db2.gz GEALVWDEVLDGAX-LZWOXQAQSA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246369587 846097875 /nfs/dbraw/zinc/09/78/75/846097875.db2.gz GEALVWDEVLDGAX-YCPHGPKFSA-N 2 1 353.536 -0.334 20 0 FBADMP Cc1cn([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001246372016 846098017 /nfs/dbraw/zinc/09/80/17/846098017.db2.gz BSABETJTKYXAOQ-YMSXNLFQSA-N 2 1 350.419 -0.222 20 0 FBADMP O=C([C@@H]1C[C@H](NC2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246375469 846097680 /nfs/dbraw/zinc/09/76/80/846097680.db2.gz IOYVOVMXVBZWOS-JYJNAYRXSA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@@H](NC2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246375470 846098088 /nfs/dbraw/zinc/09/80/88/846098088.db2.gz IOYVOVMXVBZWOS-OAGGEKHMSA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@@H](NC2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246375471 846098134 /nfs/dbraw/zinc/09/81/34/846098134.db2.gz IOYVOVMXVBZWOS-PMPSAXMXSA-N 2 1 353.536 -0.334 20 0 FBADMP O=C([C@@H]1C[C@H](NC2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246375472 846098191 /nfs/dbraw/zinc/09/81/91/846098191.db2.gz IOYVOVMXVBZWOS-XHSDSOJGSA-N 2 1 353.536 -0.334 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246391645 846097970 /nfs/dbraw/zinc/09/79/70/846097970.db2.gz SMVXXTLGRSFOKY-AGIUHOORSA-N 2 1 358.508 -0.102 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246391646 846097949 /nfs/dbraw/zinc/09/79/49/846097949.db2.gz SMVXXTLGRSFOKY-AVGNSLFASA-N 2 1 358.508 -0.102 20 0 FBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246484104 846098788 /nfs/dbraw/zinc/09/87/88/846098788.db2.gz UFACMNVUBVZDCD-RTHOXKBDSA-N 2 1 354.451 -0.570 20 0 FBADMP O=S(=O)(N[C@H]1CC[NH2+]C2(CNC2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001246590159 846100095 /nfs/dbraw/zinc/10/00/95/846100095.db2.gz IVJMFUAGQPDNAQ-AWEZNQCLSA-N 2 1 365.503 -0.532 20 0 FBADMP O=S(=O)(N[C@@H]1CC[NH2+]C2(CNC2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001246590161 846100321 /nfs/dbraw/zinc/10/03/21/846100321.db2.gz IVJMFUAGQPDNAQ-CQSZACIVSA-N 2 1 365.503 -0.532 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616821 846101343 /nfs/dbraw/zinc/10/13/43/846101343.db2.gz FFBQDIJCMJZVID-ILXRZTDVSA-N 2 1 361.508 -0.231 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@H](C)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616822 846101511 /nfs/dbraw/zinc/10/15/11/846101511.db2.gz FFBQDIJCMJZVID-KKUMJFAQSA-N 2 1 361.508 -0.231 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246626636 846101046 /nfs/dbraw/zinc/10/10/46/846101046.db2.gz KGBKFILKVQREPS-FHSNZYRGSA-N 2 1 350.463 -0.530 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246626639 846101441 /nfs/dbraw/zinc/10/14/41/846101441.db2.gz KGBKFILKVQREPS-LXIYXOSZSA-N 2 1 350.463 -0.530 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246626643 846101034 /nfs/dbraw/zinc/10/10/34/846101034.db2.gz KGBKFILKVQREPS-VBHSOAQHSA-N 2 1 350.463 -0.530 20 0 FBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246626646 846101316 /nfs/dbraw/zinc/10/13/16/846101316.db2.gz KGBKFILKVQREPS-ZJNRKIDTSA-N 2 1 350.463 -0.530 20 0 FBADMP O=C([C@@H]1C[C@@H](N2CCNC[C@]3(CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246635298 846101388 /nfs/dbraw/zinc/10/13/88/846101388.db2.gz SVBVTZYKEYGIOY-HLLBOEOZSA-N 2 1 353.536 -0.333 20 0 FBADMP O=C([C@@H]1C[C@@H](N2CCNC[C@@]3(CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246635300 846101220 /nfs/dbraw/zinc/10/12/20/846101220.db2.gz SVBVTZYKEYGIOY-VYDXJSESSA-N 2 1 353.536 -0.333 20 0 FBADMP O=C([C@@H]1C[C@H](N2CCNC[C@]3(CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246635302 846101327 /nfs/dbraw/zinc/10/13/27/846101327.db2.gz SVBVTZYKEYGIOY-YQQAZPJKSA-N 2 1 353.536 -0.333 20 0 FBADMP O=C([C@@H]1C[C@H](N2CCNC[C@@]3(CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246635304 846101147 /nfs/dbraw/zinc/10/11/47/846101147.db2.gz SVBVTZYKEYGIOY-ZOBUZTSGSA-N 2 1 353.536 -0.333 20 0 FBADMP COC(=O)[C@@H]1C[C@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C[NH2+]1 ZINC001246667639 846101381 /nfs/dbraw/zinc/10/13/81/846101381.db2.gz LUIIQSOVDMXIDT-KBPBESRZSA-N 2 1 351.451 -0.637 20 0 FBADMP COC(=O)[C@@H]1C[C@@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C[NH2+]1 ZINC001246667649 846101489 /nfs/dbraw/zinc/10/14/89/846101489.db2.gz LUIIQSOVDMXIDT-KGLIPLIRSA-N 2 1 351.451 -0.637 20 0 FBADMP COC(=O)[C@H]1C[C@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C[NH2+]1 ZINC001246667652 846101352 /nfs/dbraw/zinc/10/13/52/846101352.db2.gz LUIIQSOVDMXIDT-UONOGXRCSA-N 2 1 351.451 -0.637 20 0 FBADMP COC(=O)[C@H]1C[C@@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C[NH2+]1 ZINC001246667654 846101159 /nfs/dbraw/zinc/10/11/59/846101159.db2.gz LUIIQSOVDMXIDT-ZIAGYGMSSA-N 2 1 351.451 -0.637 20 0 FBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671886 846101459 /nfs/dbraw/zinc/10/14/59/846101459.db2.gz JOUNOEMIGHFIEV-BOIDDXRWSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671887 846101252 /nfs/dbraw/zinc/10/12/52/846101252.db2.gz JOUNOEMIGHFIEV-YQBONMRBSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246671888 846101120 /nfs/dbraw/zinc/10/11/20/846101120.db2.gz JPABMMVRDJSYRS-BOIDDXRWSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246671889 846101501 /nfs/dbraw/zinc/10/15/01/846101501.db2.gz JPABMMVRDJSYRS-YQBONMRBSA-N 2 1 351.447 -0.390 20 0 FBADMP CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C[C@@H]2[NH2+]1 ZINC001246673557 846101569 /nfs/dbraw/zinc/10/15/69/846101569.db2.gz XEQBSBYFKNFAFE-FQKPHLNHSA-N 2 1 368.503 -0.525 20 0 FBADMP CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C[C@@H]2[NH2+]1 ZINC001246673560 846101108 /nfs/dbraw/zinc/10/11/08/846101108.db2.gz XEQBSBYFKNFAFE-QMIVOQANSA-N 2 1 368.503 -0.525 20 0 FBADMP COCC[N@H+]1CCOC[C@@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690269 846102372 /nfs/dbraw/zinc/10/23/72/846102372.db2.gz AJGHUGOTBCWPNZ-BQFCYCMXSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@@H+]1CCOC[C@@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690269 846102369 /nfs/dbraw/zinc/10/23/69/846102369.db2.gz AJGHUGOTBCWPNZ-BQFCYCMXSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@H+]1CCOC[C@@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690271 846102233 /nfs/dbraw/zinc/10/22/33/846102233.db2.gz AJGHUGOTBCWPNZ-RYRKJORJSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@@H+]1CCOC[C@@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690271 846102232 /nfs/dbraw/zinc/10/22/32/846102232.db2.gz AJGHUGOTBCWPNZ-RYRKJORJSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@H+]1CCOC[C@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690272 846102284 /nfs/dbraw/zinc/10/22/84/846102284.db2.gz AJGHUGOTBCWPNZ-SOLBZPMBSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@@H+]1CCOC[C@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690272 846102281 /nfs/dbraw/zinc/10/22/81/846102281.db2.gz AJGHUGOTBCWPNZ-SOLBZPMBSA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@H+]1CCOC[C@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690275 846102508 /nfs/dbraw/zinc/10/25/08/846102508.db2.gz AJGHUGOTBCWPNZ-XYJFISCASA-N 2 1 355.479 -0.049 20 0 FBADMP COCC[N@@H+]1CCOC[C@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C2)C1 ZINC001246690275 846102502 /nfs/dbraw/zinc/10/25/02/846102502.db2.gz AJGHUGOTBCWPNZ-XYJFISCASA-N 2 1 355.479 -0.049 20 0 FBADMP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246693432 846102398 /nfs/dbraw/zinc/10/23/98/846102398.db2.gz KCZHOTFBNWSISF-CYBMUJFWSA-N 2 1 368.507 -0.768 20 0 FBADMP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246693433 846102411 /nfs/dbraw/zinc/10/24/11/846102411.db2.gz KCZHOTFBNWSISF-ZDUSSCGKSA-N 2 1 368.507 -0.768 20 0 FBADMP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1cscn1 ZINC001246697546 846102430 /nfs/dbraw/zinc/10/24/30/846102430.db2.gz IGJPFIPTXDGZJJ-KYEXWDHISA-N 2 1 363.487 -0.334 20 0 FBADMP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1cscn1 ZINC001246697551 846102257 /nfs/dbraw/zinc/10/22/57/846102257.db2.gz IGJPFIPTXDGZJJ-RGCMKSIDSA-N 2 1 363.487 -0.334 20 0 FBADMP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246703269 846102301 /nfs/dbraw/zinc/10/23/01/846102301.db2.gz RIAHQIKGRNVPCX-JYYAWHABSA-N 2 1 352.479 -0.583 20 0 FBADMP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246703273 846102662 /nfs/dbraw/zinc/10/26/62/846102662.db2.gz RIAHQIKGRNVPCX-LJIGWXMPSA-N 2 1 352.479 -0.583 20 0 FBADMP CS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246709617 846103721 /nfs/dbraw/zinc/10/37/21/846103721.db2.gz XHWYQQPBKIJNIN-XQLPTFJDSA-N 2 1 358.508 -0.891 20 0 FBADMP CS(=O)(=O)N([C@@H]1CC[NH2+]C2(CNC2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246709620 846103941 /nfs/dbraw/zinc/10/39/41/846103941.db2.gz XHWYQQPBKIJNIN-YJNKXOJESA-N 2 1 358.508 -0.891 20 0 FBADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710141 846104036 /nfs/dbraw/zinc/10/40/36/846104036.db2.gz MADJTTVIWLNAKX-MPGHIAIKSA-N 2 1 352.479 -0.534 20 0 FBADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710143 846104159 /nfs/dbraw/zinc/10/41/59/846104159.db2.gz MADJTTVIWLNAKX-RLFYNMQTSA-N 2 1 352.479 -0.534 20 0 FBADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710145 846103356 /nfs/dbraw/zinc/10/33/56/846103356.db2.gz MADJTTVIWLNAKX-RVKKMQEKSA-N 2 1 352.479 -0.534 20 0 FBADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710147 846104198 /nfs/dbraw/zinc/10/41/98/846104198.db2.gz MADJTTVIWLNAKX-VKJFTORMSA-N 2 1 352.479 -0.534 20 0 FBADMP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246712346 846103837 /nfs/dbraw/zinc/10/38/37/846103837.db2.gz BXOCDSFZXOSGJK-XUWVNRHRSA-N 2 1 351.495 -0.312 20 0 FBADMP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246712347 846103369 /nfs/dbraw/zinc/10/33/69/846103369.db2.gz BXOCDSFZXOSGJK-YHUYYLMFSA-N 2 1 351.495 -0.312 20 0 FBADMP O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCOCC1 ZINC001246722661 846103900 /nfs/dbraw/zinc/10/39/00/846103900.db2.gz JBNRCQPOHYUOSR-KLHDSHLOSA-N 2 1 350.463 -0.829 20 0 FBADMP O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCOCC1 ZINC001246722667 846103546 /nfs/dbraw/zinc/10/35/46/846103546.db2.gz JBNRCQPOHYUOSR-ZJIFWQFVSA-N 2 1 350.463 -0.829 20 0 FBADMP O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCO1 ZINC001246723540 846104290 /nfs/dbraw/zinc/10/42/90/846104290.db2.gz RFVPDDNWWPZHGE-CAOSSQGBSA-N 2 1 350.463 -0.276 20 0 FBADMP O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCO1 ZINC001246723546 846104305 /nfs/dbraw/zinc/10/43/05/846104305.db2.gz RFVPDDNWWPZHGE-ZJIFWQFVSA-N 2 1 350.463 -0.276 20 0 FBADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246725069 846104090 /nfs/dbraw/zinc/10/40/90/846104090.db2.gz OAQMJJGTOZXIDU-INMHGKMJSA-N 2 1 352.479 -0.866 20 0 FBADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246725076 846103589 /nfs/dbraw/zinc/10/35/89/846103589.db2.gz OAQMJJGTOZXIDU-VYDXJSESSA-N 2 1 352.479 -0.866 20 0 FBADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246726050 846104064 /nfs/dbraw/zinc/10/40/64/846104064.db2.gz PDRZLMOKWHCWRD-ARFHVFGLSA-N 2 1 371.503 -0.668 20 0 FBADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246726050 846104060 /nfs/dbraw/zinc/10/40/60/846104060.db2.gz PDRZLMOKWHCWRD-ARFHVFGLSA-N 2 1 371.503 -0.668 20 0 FBADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246726051 846103696 /nfs/dbraw/zinc/10/36/96/846103696.db2.gz PDRZLMOKWHCWRD-BZUAXINKSA-N 2 1 371.503 -0.668 20 0 FBADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246726051 846103690 /nfs/dbraw/zinc/10/36/90/846103690.db2.gz PDRZLMOKWHCWRD-BZUAXINKSA-N 2 1 371.503 -0.668 20 0 FBADMP O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCO1 ZINC001246728483 846104298 /nfs/dbraw/zinc/10/42/98/846104298.db2.gz KQROWWNMTRDNAN-KLHDSHLOSA-N 2 1 350.463 -0.134 20 0 FBADMP O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCO1 ZINC001246728484 846104186 /nfs/dbraw/zinc/10/41/86/846104186.db2.gz KQROWWNMTRDNAN-ZJIFWQFVSA-N 2 1 350.463 -0.134 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731500 846105387 /nfs/dbraw/zinc/10/53/87/846105387.db2.gz XLSNPBKNVZLOKS-LTIDMASMSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731500 846105380 /nfs/dbraw/zinc/10/53/80/846105380.db2.gz XLSNPBKNVZLOKS-LTIDMASMSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731500 846105377 /nfs/dbraw/zinc/10/53/77/846105377.db2.gz XLSNPBKNVZLOKS-LTIDMASMSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731502 846104886 /nfs/dbraw/zinc/10/48/86/846104886.db2.gz XLSNPBKNVZLOKS-WCXIOVBPSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731502 846104880 /nfs/dbraw/zinc/10/48/80/846104880.db2.gz XLSNPBKNVZLOKS-WCXIOVBPSA-N 2 1 355.479 -0.051 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731502 846104875 /nfs/dbraw/zinc/10/48/75/846104875.db2.gz XLSNPBKNVZLOKS-WCXIOVBPSA-N 2 1 355.479 -0.051 20 0 FBADMP CCS(=O)(=O)N([C@@H]1CC[NH2+]C2(CNC2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246741095 846104971 /nfs/dbraw/zinc/10/49/71/846104971.db2.gz RIPOLKZEKBJORV-JJXSEGSLSA-N 2 1 372.535 -0.501 20 0 FBADMP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246741107 846105541 /nfs/dbraw/zinc/10/55/41/846105541.db2.gz RIPOLKZEKBJORV-JONQDZQNSA-N 2 1 372.535 -0.501 20 0 FBADMP O=C([C@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCO1 ZINC001246745932 846105094 /nfs/dbraw/zinc/10/50/94/846105094.db2.gz PYYBHXRTJQHNOA-FPCVCCKLSA-N 2 1 350.463 -0.561 20 0 FBADMP O=C([C@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCO1 ZINC001246745933 846105677 /nfs/dbraw/zinc/10/56/77/846105677.db2.gz PYYBHXRTJQHNOA-QXSJWSMHSA-N 2 1 350.463 -0.561 20 0 FBADMP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246748891 846105198 /nfs/dbraw/zinc/10/51/98/846105198.db2.gz CVYYMFFFBPWFCM-IIDMSEBBSA-N 2 1 351.495 -0.025 20 0 FBADMP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246748893 846105503 /nfs/dbraw/zinc/10/55/03/846105503.db2.gz CVYYMFFFBPWFCM-RVKKMQEKSA-N 2 1 351.495 -0.025 20 0 FBADMP C[C@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246748988 846105513 /nfs/dbraw/zinc/10/55/13/846105513.db2.gz AGVAIDIOPUGFBJ-GXTWGEPZSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246748991 846104813 /nfs/dbraw/zinc/10/48/13/846104813.db2.gz AGVAIDIOPUGFBJ-JSGCOSHPSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246748993 846105580 /nfs/dbraw/zinc/10/55/80/846105580.db2.gz AGVAIDIOPUGFBJ-OCCSQVGLSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246748994 846106641 /nfs/dbraw/zinc/10/66/41/846106641.db2.gz AGVAIDIOPUGFBJ-TZMCWYRMSA-N 2 1 369.491 -0.361 20 0 FBADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246750160 846106513 /nfs/dbraw/zinc/10/65/13/846106513.db2.gz YNKMGQQGAMIHAZ-ILXRZTDVSA-N 2 1 357.524 -0.860 20 0 FBADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246750187 846106158 /nfs/dbraw/zinc/10/61/58/846106158.db2.gz YNKMGQQGAMIHAZ-QLFBSQMISA-N 2 1 357.524 -0.860 20 0 FBADMP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)C1CC[NH2+]CC1 ZINC001246751996 846106476 /nfs/dbraw/zinc/10/64/76/846106476.db2.gz HXMJTLJNLADOCN-UHFFFAOYSA-N 2 1 355.464 -0.750 20 0 FBADMP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCC[NH2+]C1 ZINC001246752803 846106497 /nfs/dbraw/zinc/10/64/97/846106497.db2.gz JGOSCYHAGWQIMH-CYBMUJFWSA-N 2 1 355.464 -0.750 20 0 FBADMP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCC[NH2+]C1 ZINC001246752805 846106229 /nfs/dbraw/zinc/10/62/29/846106229.db2.gz JGOSCYHAGWQIMH-ZDUSSCGKSA-N 2 1 355.464 -0.750 20 0 FBADMP COCCN1CCO[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2C1=O ZINC001246756643 846106376 /nfs/dbraw/zinc/10/63/76/846106376.db2.gz NOXXELUUJATTIK-OAGGEKHMSA-N 2 1 352.479 -0.724 20 0 FBADMP COCCN1CCO[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2C1=O ZINC001246756645 846106279 /nfs/dbraw/zinc/10/62/79/846106279.db2.gz NOXXELUUJATTIK-XHSDSOJGSA-N 2 1 352.479 -0.724 20 0 FBADMP C[C@H]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[NH2+]1 ZINC001246757794 846106556 /nfs/dbraw/zinc/10/65/56/846106556.db2.gz WDAWJCOTRWYNEZ-GXTWGEPZSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@H]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[NH2+]1 ZINC001246757796 846106700 /nfs/dbraw/zinc/10/67/00/846106700.db2.gz WDAWJCOTRWYNEZ-JSGCOSHPSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@@H]1CC[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[NH2+]1 ZINC001246757799 846106522 /nfs/dbraw/zinc/10/65/22/846106522.db2.gz WDAWJCOTRWYNEZ-OCCSQVGLSA-N 2 1 369.491 -0.361 20 0 FBADMP C[C@@H]1CC[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[NH2+]1 ZINC001246757800 846106405 /nfs/dbraw/zinc/10/64/05/846106405.db2.gz WDAWJCOTRWYNEZ-TZMCWYRMSA-N 2 1 369.491 -0.361 20 0 FBADMP CN(C)C(=O)CN1C[C@H]2CC[N@H+](C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001246759943 846106441 /nfs/dbraw/zinc/10/64/41/846106441.db2.gz NHZBWOOPHIMAFQ-UKRRQHHQSA-N 2 1 358.508 -0.447 20 0 FBADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761926 846106328 /nfs/dbraw/zinc/10/63/28/846106328.db2.gz WWEBEDQDSSVXFC-KLHDSHLOSA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761936 846106423 /nfs/dbraw/zinc/10/64/23/846106423.db2.gz WWEBEDQDSSVXFC-LVQVYYBASA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761941 846106452 /nfs/dbraw/zinc/10/64/52/846106452.db2.gz WWEBEDQDSSVXFC-XUWVNRHRSA-N 2 1 372.535 -0.059 20 0 FBADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761950 846106018 /nfs/dbraw/zinc/10/60/18/846106018.db2.gz WWEBEDQDSSVXFC-ZJIFWQFVSA-N 2 1 372.535 -0.059 20 0 FBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CN1 ZINC001246807548 846107360 /nfs/dbraw/zinc/10/73/60/846107360.db2.gz RWSJSRIVSRYWJS-CVEARBPZSA-N 2 1 352.479 -0.234 20 0 FBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CN1 ZINC001246807549 846107809 /nfs/dbraw/zinc/10/78/09/846107809.db2.gz RWSJSRIVSRYWJS-HOTGVXAUSA-N 2 1 352.479 -0.234 20 0 FBADMP O=S(=O)(N(C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C2(CNC2)C1)C(F)(F)F ZINC001246817954 846107908 /nfs/dbraw/zinc/10/79/08/846107908.db2.gz BJSAYWLEZYPRNC-GHMZBOCLSA-N 2 1 356.414 -0.016 20 0 FBADMP O=S(=O)(N(C[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C2(CNC2)C1)C(F)(F)F ZINC001246817960 846107716 /nfs/dbraw/zinc/10/77/16/846107716.db2.gz BJSAYWLEZYPRNC-MNOVXSKESA-N 2 1 356.414 -0.016 20 0 FBADMP O=C(N1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1)C(F)(F)F ZINC001246822039 846107636 /nfs/dbraw/zinc/10/76/36/846107636.db2.gz QOPQCTQELQXVFQ-UHFFFAOYSA-N 2 1 351.417 -0.376 20 0 FBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCN(S(C)(=O)=O)CC3)C[C@H]1C2 ZINC001246859660 846107559 /nfs/dbraw/zinc/10/75/59/846107559.db2.gz QJNWOVNRNWEKIS-JWDQPFGJSA-N 2 1 371.503 -0.259 20 0 FBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246860176 846107387 /nfs/dbraw/zinc/10/73/87/846107387.db2.gz UGEUENFNAASIQR-BOIDDXRWSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246860180 846107623 /nfs/dbraw/zinc/10/76/23/846107623.db2.gz UGEUENFNAASIQR-YQBONMRBSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246861379 846107686 /nfs/dbraw/zinc/10/76/86/846107686.db2.gz YAHOVKQJUMHLSE-BOIDDXRWSA-N 2 1 351.447 -0.390 20 0 FBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246861382 846107596 /nfs/dbraw/zinc/10/75/96/846107596.db2.gz YAHOVKQJUMHLSE-YQBONMRBSA-N 2 1 351.447 -0.390 20 0 FBADMP CCOC(=O)C1([NH3+])CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868442 846109120 /nfs/dbraw/zinc/10/91/20/846109120.db2.gz NFHSSRUTWAOJHQ-OLZOCXBDSA-N 2 1 356.492 -0.394 20 0 FBADMP CCOC(=O)C1([NH3+])CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868443 846109218 /nfs/dbraw/zinc/10/92/18/846109218.db2.gz NFHSSRUTWAOJHQ-STQMWFEESA-N 2 1 356.492 -0.394 20 0 FBADMP [NH3+]CC1C[NH+]([C@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870241 846108584 /nfs/dbraw/zinc/10/85/84/846108584.db2.gz JWWYOXBEFRLYNI-JYJNAYRXSA-N 3 1 353.536 -0.395 20 0 FBADMP [NH3+]CC1C[NH+]([C@@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870247 846109064 /nfs/dbraw/zinc/10/90/64/846109064.db2.gz JWWYOXBEFRLYNI-OAGGEKHMSA-N 3 1 353.536 -0.395 20 0 FBADMP [NH3+]CC1C[NH+]([C@@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870250 846109044 /nfs/dbraw/zinc/10/90/44/846109044.db2.gz JWWYOXBEFRLYNI-PMPSAXMXSA-N 3 1 353.536 -0.395 20 0 FBADMP [NH3+]CC1C[NH+]([C@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870254 846108550 /nfs/dbraw/zinc/10/85/50/846108550.db2.gz JWWYOXBEFRLYNI-XHSDSOJGSA-N 3 1 353.536 -0.395 20 0 FBADMP O=C([C@@H]1C[C@@H](N2CCC([NH+]3CCNCC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246885384 846108954 /nfs/dbraw/zinc/10/89/54/846108954.db2.gz GDKIQVJTZLAIDH-CVEARBPZSA-N 2 1 353.536 -0.381 20 0 FBADMP O=C([C@@H]1C[C@H](N2CCC([NH+]3CCNCC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246885386 846108671 /nfs/dbraw/zinc/10/86/71/846108671.db2.gz GDKIQVJTZLAIDH-HOTGVXAUSA-N 2 1 353.536 -0.381 20 0 FBADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246917319 846108560 /nfs/dbraw/zinc/10/85/60/846108560.db2.gz CJSRXNSCEGHGDR-RFQIPJPRSA-N 2 1 356.492 -0.538 20 0 FBADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246917321 846108638 /nfs/dbraw/zinc/10/86/38/846108638.db2.gz CJSRXNSCEGHGDR-XDQVBPFNSA-N 2 1 356.492 -0.538 20 0 FBADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246917322 846108711 /nfs/dbraw/zinc/10/87/11/846108711.db2.gz CJSRXNSCEGHGDR-YIYPIFLZSA-N 2 1 356.492 -0.538 20 0 FBADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246917324 846108920 /nfs/dbraw/zinc/10/89/20/846108920.db2.gz CJSRXNSCEGHGDR-ZOBORPQBSA-N 2 1 356.492 -0.538 20 0 FBADMP CCOC(=O)CN1CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246922180 846108613 /nfs/dbraw/zinc/10/86/13/846108613.db2.gz VIKAVPNBUGDQNR-UHFFFAOYSA-N 3 1 357.499 -0.870 20 0 FBADMP CCOC(=O)CN1CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246922180 846108610 /nfs/dbraw/zinc/10/86/10/846108610.db2.gz VIKAVPNBUGDQNR-UHFFFAOYSA-N 3 1 357.499 -0.870 20 0 FBADMP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246922663 846110127 /nfs/dbraw/zinc/11/01/27/846110127.db2.gz VVAHZZIWVOLJAQ-KBPBESRZSA-N 2 1 351.476 -0.472 20 0 FBADMP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246922674 846109911 /nfs/dbraw/zinc/10/99/11/846109911.db2.gz VVAHZZIWVOLJAQ-KGLIPLIRSA-N 2 1 351.476 -0.472 20 0 FBADMP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246922677 846110162 /nfs/dbraw/zinc/11/01/62/846110162.db2.gz VVAHZZIWVOLJAQ-UONOGXRCSA-N 2 1 351.476 -0.472 20 0 FBADMP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246922680 846109859 /nfs/dbraw/zinc/10/98/59/846109859.db2.gz VVAHZZIWVOLJAQ-ZIAGYGMSSA-N 2 1 351.476 -0.472 20 0 FBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C1CCN(C(=O)C(F)(F)F)CC1 ZINC001246926818 846110269 /nfs/dbraw/zinc/11/02/69/846110269.db2.gz VHFDVHILXDTYEA-UHFFFAOYSA-N 3 1 367.416 -0.345 20 0 FBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCN(C(=O)C(F)(F)F)CC1 ZINC001246926818 846110263 /nfs/dbraw/zinc/11/02/63/846110263.db2.gz VHFDVHILXDTYEA-UHFFFAOYSA-N 3 1 367.416 -0.345 20 0 FBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C1CCC([NH+]2CCOCC2)CC1 ZINC001246926829 846110376 /nfs/dbraw/zinc/11/03/76/846110376.db2.gz VOWQXJITNUAJMS-UHFFFAOYSA-N 4 1 355.527 -0.254 20 0 FBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCC([NH+]2CCOCC2)CC1 ZINC001246926829 846110371 /nfs/dbraw/zinc/11/03/71/846110371.db2.gz VOWQXJITNUAJMS-UHFFFAOYSA-N 4 1 355.527 -0.254 20 0 FBADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938137 846109756 /nfs/dbraw/zinc/10/97/56/846109756.db2.gz RGDRXVXMECOQNZ-GOSISDBHSA-N 3 1 351.539 -0.286 20 0 FBADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938138 846110172 /nfs/dbraw/zinc/11/01/72/846110172.db2.gz RGDRXVXMECOQNZ-SFHVURJKSA-N 3 1 351.539 -0.286 20 0 FBADMP COC(=O)[C@H]1C[C@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940726 846110041 /nfs/dbraw/zinc/11/00/41/846110041.db2.gz XVRBPXOEKXHQKU-DLBZAZTESA-N 2 1 354.495 -0.476 20 0 FBADMP COC(=O)[C@H]1C[C@@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940757 846110223 /nfs/dbraw/zinc/11/02/23/846110223.db2.gz XVRBPXOEKXHQKU-IAGOWNOFSA-N 2 1 354.495 -0.476 20 0 FBADMP COC(=O)[C@@H]1C[C@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940758 846110316 /nfs/dbraw/zinc/11/03/16/846110316.db2.gz XVRBPXOEKXHQKU-IRXDYDNUSA-N 2 1 354.495 -0.476 20 0 FBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940759 846110018 /nfs/dbraw/zinc/11/00/18/846110018.db2.gz XVRBPXOEKXHQKU-SJORKVTESA-N 2 1 354.495 -0.476 20 0 FBADMP O=S(=O)(c1ccccn1)N(C1CC[NH2+]CC1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246960428 846110984 /nfs/dbraw/zinc/11/09/84/846110984.db2.gz VRAGSKIIZBTQTD-HNNXBMFYSA-N 2 1 365.503 -0.082 20 0 FBADMP O=S(=O)(c1ccccn1)N(C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246960431 846111553 /nfs/dbraw/zinc/11/15/53/846111553.db2.gz VRAGSKIIZBTQTD-OAHLLOKOSA-N 2 1 365.503 -0.082 20 0 FBADMP O=S(=O)(c1cccnc1)N(C1CC[NH2+]CC1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246961063 846111384 /nfs/dbraw/zinc/11/13/84/846111384.db2.gz XJFUQOAOEMPQKU-HNNXBMFYSA-N 2 1 365.503 -0.082 20 0 FBADMP O=S(=O)(c1cccnc1)N(C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246961064 846111074 /nfs/dbraw/zinc/11/10/74/846111074.db2.gz XJFUQOAOEMPQKU-OAHLLOKOSA-N 2 1 365.503 -0.082 20 0 FBADMP [NH3+][C@@H]1CC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969217 846111514 /nfs/dbraw/zinc/11/15/14/846111514.db2.gz VSZJXGHCQDFAOP-BMFZPTHFSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+][C@@H]1CC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969217 846111509 /nfs/dbraw/zinc/11/15/09/846111509.db2.gz VSZJXGHCQDFAOP-BMFZPTHFSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@@H]1CC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969217 846111505 /nfs/dbraw/zinc/11/15/05/846111505.db2.gz VSZJXGHCQDFAOP-BMFZPTHFSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@@H]1CC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969217 846111500 /nfs/dbraw/zinc/11/15/00/846111500.db2.gz VSZJXGHCQDFAOP-BMFZPTHFSA-N 2 1 353.536 -0.253 20 0 FBADMP [NH3+][C@H]1CC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969218 846111234 /nfs/dbraw/zinc/11/12/34/846111234.db2.gz VSZJXGHCQDFAOP-BPUTZDHNSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+][C@H]1CC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969218 846111228 /nfs/dbraw/zinc/11/12/28/846111228.db2.gz VSZJXGHCQDFAOP-BPUTZDHNSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@H]1CC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969218 846111224 /nfs/dbraw/zinc/11/12/24/846111224.db2.gz VSZJXGHCQDFAOP-BPUTZDHNSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@H]1CC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969218 846111219 /nfs/dbraw/zinc/11/12/19/846111219.db2.gz VSZJXGHCQDFAOP-BPUTZDHNSA-N 2 1 353.536 -0.253 20 0 FBADMP [NH3+][C@H]1CC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969221 846111489 /nfs/dbraw/zinc/11/14/89/846111489.db2.gz VSZJXGHCQDFAOP-IMJJTQAJSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+][C@H]1CC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969221 846111484 /nfs/dbraw/zinc/11/14/84/846111484.db2.gz VSZJXGHCQDFAOP-IMJJTQAJSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@H]1CC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969221 846111480 /nfs/dbraw/zinc/11/14/80/846111480.db2.gz VSZJXGHCQDFAOP-IMJJTQAJSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@H]1CC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969221 846111475 /nfs/dbraw/zinc/11/14/75/846111475.db2.gz VSZJXGHCQDFAOP-IMJJTQAJSA-N 2 1 353.536 -0.253 20 0 FBADMP [NH3+][C@@H]1CC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969226 846111155 /nfs/dbraw/zinc/11/11/55/846111155.db2.gz VSZJXGHCQDFAOP-KBMXLJTQSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+][C@@H]1CC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969226 846111154 /nfs/dbraw/zinc/11/11/54/846111154.db2.gz VSZJXGHCQDFAOP-KBMXLJTQSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@@H]1CC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969226 846111147 /nfs/dbraw/zinc/11/11/47/846111147.db2.gz VSZJXGHCQDFAOP-KBMXLJTQSA-N 3 1 353.536 -0.253 20 0 FBADMP N[C@@H]1CC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969226 846111142 /nfs/dbraw/zinc/11/11/42/846111142.db2.gz VSZJXGHCQDFAOP-KBMXLJTQSA-N 2 1 353.536 -0.253 20 0 FBADMP [NH3+]C1CC[NH+]([C@H]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973070 846111275 /nfs/dbraw/zinc/11/12/75/846111275.db2.gz FGEGQKLPAKRUMX-JYJNAYRXSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+]C1CC[NH+]([C@@H]2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973071 846111415 /nfs/dbraw/zinc/11/14/15/846111415.db2.gz FGEGQKLPAKRUMX-OAGGEKHMSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+]C1CC[NH+]([C@@H]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973072 846111397 /nfs/dbraw/zinc/11/13/97/846111397.db2.gz FGEGQKLPAKRUMX-PMPSAXMXSA-N 3 1 353.536 -0.253 20 0 FBADMP [NH3+]C1CC[NH+]([C@H]2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973074 846110888 /nfs/dbraw/zinc/11/08/88/846110888.db2.gz FGEGQKLPAKRUMX-XHSDSOJGSA-N 3 1 353.536 -0.253 20 0 FBADMP Cc1nc(NC(=S)NCC[NH+](C)C)cc(N2CC[NH+](CCO)CC2)n1 ZINC001249826791 846128468 /nfs/dbraw/zinc/12/84/68/846128468.db2.gz BZNDXXGSXMOMNB-UHFFFAOYSA-N 2 1 367.523 -0.253 20 0 FBADMP C[NH+](C)CCNC(=S)Nc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001249829442 846128401 /nfs/dbraw/zinc/12/84/01/846128401.db2.gz FLRZRSCSJFVDHG-UHFFFAOYSA-N 2 1 353.496 -0.561 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(C(=S)NCC[NH+](C)C)CC[C@@H]2C1 ZINC001249833570 846128583 /nfs/dbraw/zinc/12/85/83/846128583.db2.gz UWSZQIUIDGZFOZ-HUUCEWRRSA-N 2 1 371.551 -0.467 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136591 /nfs/dbraw/zinc/13/65/91/846136591.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 2 1 357.495 -0.651 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136589 /nfs/dbraw/zinc/13/65/89/846136589.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 2 1 357.495 -0.651 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136587 /nfs/dbraw/zinc/13/65/87/846136587.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 2 1 357.495 -0.651 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136564 /nfs/dbraw/zinc/13/65/64/846136564.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 2 1 357.495 -0.651 20 0 FBADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136561 /nfs/dbraw/zinc/13/65/61/846136561.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 2 1 357.495 -0.651 20 0 FBADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136559 /nfs/dbraw/zinc/13/65/59/846136559.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 2 1 357.495 -0.651 20 0 FBADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC001251018009 846136905 /nfs/dbraw/zinc/13/69/05/846136905.db2.gz AYVHKUKYSUWIFD-KRWDZBQOSA-N 2 1 354.495 -0.835 20 0 FBADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC001251018010 846136341 /nfs/dbraw/zinc/13/63/41/846136341.db2.gz AYVHKUKYSUWIFD-QGZVFWFLSA-N 2 1 354.495 -0.835 20 0 FBADMP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CCC[NH+](CCO)CCO)C1 ZINC001251443745 846152593 /nfs/dbraw/zinc/15/25/93/846152593.db2.gz YEVJPIBMVVGPQG-KRWDZBQOSA-N 2 1 361.483 -0.375 20 0 FBADMP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CCC[NH+](CCO)CCO)C1 ZINC001251443746 846152633 /nfs/dbraw/zinc/15/26/33/846152633.db2.gz YEVJPIBMVVGPQG-QGZVFWFLSA-N 2 1 361.483 -0.375 20 0 FBADMP OCC[NH+](CCO)CCC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251622314 846158191 /nfs/dbraw/zinc/15/81/91/846158191.db2.gz MBXXCNSOPLFRDU-LLVKDONJSA-N 2 1 350.353 -0.469 20 0 FBADMP OCC[NH+](CCO)CCC[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251622315 846158006 /nfs/dbraw/zinc/15/80/06/846158006.db2.gz MBXXCNSOPLFRDU-NSHDSACASA-N 2 1 350.353 -0.469 20 0 FBADMP CCOCC[NH+]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001251774752 846163168 /nfs/dbraw/zinc/16/31/68/846163168.db2.gz BOEADXHIRQKHPK-UHFFFAOYSA-N 2 1 353.467 -0.386 20 0 FBADMP CCOC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252023127 846171694 /nfs/dbraw/zinc/17/16/94/846171694.db2.gz FUMNOIOSZGSVDH-INIZCTEOSA-N 2 1 357.495 -0.114 20 0 FBADMP CCOC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252023127 846171687 /nfs/dbraw/zinc/17/16/87/846171687.db2.gz FUMNOIOSZGSVDH-INIZCTEOSA-N 2 1 357.495 -0.114 20 0 FBADMP CCOC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252023128 846171920 /nfs/dbraw/zinc/17/19/20/846171920.db2.gz FUMNOIOSZGSVDH-MRXNPFEDSA-N 2 1 357.495 -0.114 20 0 FBADMP CCOC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252023128 846171912 /nfs/dbraw/zinc/17/19/12/846171912.db2.gz FUMNOIOSZGSVDH-MRXNPFEDSA-N 2 1 357.495 -0.114 20 0 FBADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252416969 846184793 /nfs/dbraw/zinc/18/47/93/846184793.db2.gz FNOVSNMVPOXNBH-AWEZNQCLSA-N 2 1 357.451 -0.977 20 0 FBADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252416969 846184785 /nfs/dbraw/zinc/18/47/85/846184785.db2.gz FNOVSNMVPOXNBH-AWEZNQCLSA-N 2 1 357.451 -0.977 20 0 FBADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252416971 846185080 /nfs/dbraw/zinc/18/50/80/846185080.db2.gz FNOVSNMVPOXNBH-CQSZACIVSA-N 2 1 357.451 -0.977 20 0 FBADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252416971 846185076 /nfs/dbraw/zinc/18/50/76/846185076.db2.gz FNOVSNMVPOXNBH-CQSZACIVSA-N 2 1 357.451 -0.977 20 0 FBADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417093 846186500 /nfs/dbraw/zinc/18/65/00/846186500.db2.gz HFOXNIKIOXXQAG-BZUAXINKSA-N 2 1 353.463 -0.073 20 0 FBADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417095 846186311 /nfs/dbraw/zinc/18/63/11/846186311.db2.gz HFOXNIKIOXXQAG-OAGGEKHMSA-N 2 1 353.463 -0.073 20 0 FBADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252417684 846186068 /nfs/dbraw/zinc/18/60/68/846186068.db2.gz LULZMXUVWWNVFT-JFIYKMOQSA-N 2 1 355.479 -0.219 20 0 FBADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252417685 846186205 /nfs/dbraw/zinc/18/62/05/846186205.db2.gz LULZMXUVWWNVFT-SOLBZPMBSA-N 2 1 355.479 -0.219 20 0 FBADMP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676397 846196662 /nfs/dbraw/zinc/19/66/62/846196662.db2.gz MQZORLQGNXZADL-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676397 846196655 /nfs/dbraw/zinc/19/66/55/846196655.db2.gz MQZORLQGNXZADL-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676397 846196649 /nfs/dbraw/zinc/19/66/49/846196649.db2.gz MQZORLQGNXZADL-BRWVUGGUSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676398 846196627 /nfs/dbraw/zinc/19/66/27/846196627.db2.gz MQZORLQGNXZADL-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676398 846196618 /nfs/dbraw/zinc/19/66/18/846196618.db2.gz MQZORLQGNXZADL-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676398 846196612 /nfs/dbraw/zinc/19/66/12/846196612.db2.gz MQZORLQGNXZADL-IXDOHACOSA-N 2 1 357.495 -0.117 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001252932971 846204310 /nfs/dbraw/zinc/20/43/10/846204310.db2.gz ZQIPSTXWLIONCE-RRFJBIMHSA-N 2 1 355.483 -0.443 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001252932971 846204299 /nfs/dbraw/zinc/20/42/99/846204299.db2.gz ZQIPSTXWLIONCE-RRFJBIMHSA-N 2 1 355.483 -0.443 20 0 FBADMP OCC[NH+](CCO)CCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944551 846205877 /nfs/dbraw/zinc/20/58/77/846205877.db2.gz YTCMHBVXFKIYOQ-IBGZPJMESA-N 2 1 351.491 -0.110 20 0 FBADMP OCC[NH+](CCO)CCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944553 846205269 /nfs/dbraw/zinc/20/52/69/846205269.db2.gz YTCMHBVXFKIYOQ-LJQANCHMSA-N 2 1 351.491 -0.110 20 0 FBADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](CC1(O)CCOCC1)CC2 ZINC001252959797 846206049 /nfs/dbraw/zinc/20/60/49/846206049.db2.gz DJJVBGUBHGWWCF-UHFFFAOYSA-N 2 1 352.435 -0.134 20 0 FBADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](CC1(O)CCOCC1)CC2 ZINC001252959797 846206042 /nfs/dbraw/zinc/20/60/42/846206042.db2.gz DJJVBGUBHGWWCF-UHFFFAOYSA-N 2 1 352.435 -0.134 20 0 FBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CC3(O)CCOCC3)CC[C@@H]2C1 ZINC001252961461 846205721 /nfs/dbraw/zinc/20/57/21/846205721.db2.gz PPJGLWOSBHFBGF-HZPDHXFCSA-N 2 1 355.479 -0.361 20 0 FBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC3(O)CCOCC3)CC[C@@H]2C1 ZINC001252961461 846205715 /nfs/dbraw/zinc/20/57/15/846205715.db2.gz PPJGLWOSBHFBGF-HZPDHXFCSA-N 2 1 355.479 -0.361 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC3(O)CCOCC3)CC[C@@H]2C1 ZINC001252961461 846205708 /nfs/dbraw/zinc/20/57/08/846205708.db2.gz PPJGLWOSBHFBGF-HZPDHXFCSA-N 2 1 355.479 -0.361 20 0 FBADMP OCCc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO)cc1 ZINC001253156790 846210702 /nfs/dbraw/zinc/21/07/02/846210702.db2.gz GSVGYLJIEBKAOZ-KRWDZBQOSA-N 2 1 356.463 -0.773 20 0 FBADMP OCCc1ccc(OC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO)cc1 ZINC001253156796 846211180 /nfs/dbraw/zinc/21/11/80/846211180.db2.gz GSVGYLJIEBKAOZ-QGZVFWFLSA-N 2 1 356.463 -0.773 20 0 FBADMP CC[NH+](CC)C[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001253177886 846212318 /nfs/dbraw/zinc/21/23/18/846212318.db2.gz WNJMCZJLHYPGRZ-HNNXBMFYSA-N 2 1 352.483 -0.295 20 0 FBADMP CC[NH+](CC)C[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001253177902 846212428 /nfs/dbraw/zinc/21/24/28/846212428.db2.gz WNJMCZJLHYPGRZ-OAHLLOKOSA-N 2 1 352.483 -0.295 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253184461 846211931 /nfs/dbraw/zinc/21/19/31/846211931.db2.gz GAHCOAIOQZPFCB-NUJGCVRESA-N 2 1 357.495 -0.258 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253184461 846211919 /nfs/dbraw/zinc/21/19/19/846211919.db2.gz GAHCOAIOQZPFCB-NUJGCVRESA-N 2 1 357.495 -0.258 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253184467 846212467 /nfs/dbraw/zinc/21/24/67/846212467.db2.gz GAHCOAIOQZPFCB-RYRKJORJSA-N 2 1 357.495 -0.258 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253184467 846212454 /nfs/dbraw/zinc/21/24/54/846212454.db2.gz GAHCOAIOQZPFCB-RYRKJORJSA-N 2 1 357.495 -0.258 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192113 846212618 /nfs/dbraw/zinc/21/26/18/846212618.db2.gz KBCLUTVWGPZROT-CVEARBPZSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192113 846212610 /nfs/dbraw/zinc/21/26/10/846212610.db2.gz KBCLUTVWGPZROT-CVEARBPZSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192114 846212591 /nfs/dbraw/zinc/21/25/91/846212591.db2.gz KBCLUTVWGPZROT-HOTGVXAUSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192114 846212589 /nfs/dbraw/zinc/21/25/89/846212589.db2.gz KBCLUTVWGPZROT-HOTGVXAUSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192115 846212084 /nfs/dbraw/zinc/21/20/84/846212084.db2.gz KBCLUTVWGPZROT-HZPDHXFCSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192115 846212078 /nfs/dbraw/zinc/21/20/78/846212078.db2.gz KBCLUTVWGPZROT-HZPDHXFCSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192116 846211984 /nfs/dbraw/zinc/21/19/84/846211984.db2.gz KBCLUTVWGPZROT-JKSUJKDBSA-N 2 1 354.495 -0.442 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253192116 846211977 /nfs/dbraw/zinc/21/19/77/846211977.db2.gz KBCLUTVWGPZROT-JKSUJKDBSA-N 2 1 354.495 -0.442 20 0 FBADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001253385798 846218249 /nfs/dbraw/zinc/21/82/49/846218249.db2.gz OMQPNHJYAZTJAC-AWEZNQCLSA-N 2 1 352.483 -0.248 20 0 FBADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389986 846220013 /nfs/dbraw/zinc/22/00/13/846220013.db2.gz HJNKJVPKIGGOJR-RKVPGOIHSA-N 2 1 357.495 -0.211 20 0 FBADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]2C1 ZINC001253391413 846219238 /nfs/dbraw/zinc/21/92/38/846219238.db2.gz LSCNGSOPQPBLGU-QLFBSQMISA-N 2 1 362.540 -0.205 20 0 FBADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]2C1 ZINC001253391413 846219224 /nfs/dbraw/zinc/21/92/24/846219224.db2.gz LSCNGSOPQPBLGU-QLFBSQMISA-N 2 1 362.540 -0.205 20 0 FBADMP CC(=O)N1CC2(C1)C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]2C(=O)N(C)C ZINC001253398616 846219180 /nfs/dbraw/zinc/21/91/80/846219180.db2.gz XEWFAEHPVSWUHU-CABCVRRESA-N 2 1 354.495 -0.396 20 0 FBADMP CC(=O)N1CC2(C1)C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]2C(=O)N(C)C ZINC001253398616 846219171 /nfs/dbraw/zinc/21/91/71/846219171.db2.gz XEWFAEHPVSWUHU-CABCVRRESA-N 2 1 354.495 -0.396 20 0 FBADMP CC(=O)N1CC2(C1)C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]2C(=O)N(C)C ZINC001253398617 846219781 /nfs/dbraw/zinc/21/97/81/846219781.db2.gz XEWFAEHPVSWUHU-HUUCEWRRSA-N 2 1 354.495 -0.396 20 0 FBADMP CC(=O)N1CC2(C1)C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]2C(=O)N(C)C ZINC001253398617 846219771 /nfs/dbraw/zinc/21/97/71/846219771.db2.gz XEWFAEHPVSWUHU-HUUCEWRRSA-N 2 1 354.495 -0.396 20 0 FBADMP C[C@@](O)(C[NH2+]CCC[NH+](CCO)CCO)C(=O)OCc1ccccc1 ZINC001253648475 846228014 /nfs/dbraw/zinc/22/80/14/846228014.db2.gz AAVPKBCTWZREJO-GOSISDBHSA-N 2 1 354.447 -0.253 20 0 FBADMP C[C@](O)(C[NH2+]CCC[NH+](CCO)CCO)C(=O)OCc1ccccc1 ZINC001253648476 846228412 /nfs/dbraw/zinc/22/84/12/846228412.db2.gz AAVPKBCTWZREJO-SFHVURJKSA-N 2 1 354.447 -0.253 20 0 FBADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCS(=O)(=O)C1)CC2 ZINC001254334220 846258220 /nfs/dbraw/zinc/25/82/20/846258220.db2.gz XAAVSFAFSQQNDS-HNNXBMFYSA-N 2 1 372.535 -0.656 20 0 FBADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCS(=O)(=O)C1)CC2 ZINC001254334221 846258409 /nfs/dbraw/zinc/25/84/09/846258409.db2.gz XAAVSFAFSQQNDS-OAHLLOKOSA-N 2 1 372.535 -0.656 20 0 FBADMP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3CCC[N@H+](C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001254507665 846267692 /nfs/dbraw/zinc/26/76/92/846267692.db2.gz FGEKLSQOCPQLEF-BYNSBNAKSA-N 2 1 352.435 -0.020 20 0 FBADMP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+](C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001254507668 846268334 /nfs/dbraw/zinc/26/83/34/846268334.db2.gz FGEKLSQOCPQLEF-LXTVHRRPSA-N 2 1 352.435 -0.020 20 0 FBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254514922 846267853 /nfs/dbraw/zinc/26/78/53/846267853.db2.gz QNASYAFKKPQAQY-XDQVBPFNSA-N 2 1 356.467 -0.369 20 0 FBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254514922 846267843 /nfs/dbraw/zinc/26/78/43/846267843.db2.gz QNASYAFKKPQAQY-XDQVBPFNSA-N 2 1 356.467 -0.369 20 0 FBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254514923 846268157 /nfs/dbraw/zinc/26/81/57/846268157.db2.gz QNASYAFKKPQAQY-XUXIUFHCSA-N 2 1 356.467 -0.369 20 0 FBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254514923 846268149 /nfs/dbraw/zinc/26/81/49/846268149.db2.gz QNASYAFKKPQAQY-XUXIUFHCSA-N 2 1 356.467 -0.369 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@@H]2CC[N@@H+](C)C2)c2nonc21 ZINC001255420945 846306067 /nfs/dbraw/zinc/30/60/67/846306067.db2.gz MSEGDBODLKCWSI-LLVKDONJSA-N 2 1 368.463 -0.058 20 0 FBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@H]2CC[N@@H+](C)C2)c2nonc21 ZINC001255420953 846306329 /nfs/dbraw/zinc/30/63/29/846306329.db2.gz MSEGDBODLKCWSI-NSHDSACASA-N 2 1 368.463 -0.058 20 0 FBADMP CN1CCC[C@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C1 ZINC001255484823 846309218 /nfs/dbraw/zinc/30/92/18/846309218.db2.gz FQYRYRAMQFQIMA-AWEZNQCLSA-N 2 1 369.491 -0.408 20 0 FBADMP C[N@H+]1CCC[C@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C1 ZINC001255484823 846309204 /nfs/dbraw/zinc/30/92/04/846309204.db2.gz FQYRYRAMQFQIMA-AWEZNQCLSA-N 2 1 369.491 -0.408 20 0 FBADMP CN1CCC[C@@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C1 ZINC001255484824 846309147 /nfs/dbraw/zinc/30/91/47/846309147.db2.gz FQYRYRAMQFQIMA-CQSZACIVSA-N 2 1 369.491 -0.408 20 0 FBADMP C[N@H+]1CCC[C@@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C1 ZINC001255484824 846309135 /nfs/dbraw/zinc/30/91/35/846309135.db2.gz FQYRYRAMQFQIMA-CQSZACIVSA-N 2 1 369.491 -0.408 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255670654 846318030 /nfs/dbraw/zinc/31/80/30/846318030.db2.gz WUXPADFBTJPGOI-AGUYFDCRSA-N 2 1 354.451 -0.613 20 0 FBADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255670654 846318016 /nfs/dbraw/zinc/31/80/16/846318016.db2.gz WUXPADFBTJPGOI-AGUYFDCRSA-N 2 1 354.451 -0.613 20 0 FBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255974249 846326803 /nfs/dbraw/zinc/32/68/03/846326803.db2.gz VAUBEICVSIKHNN-JTQLQIEISA-N 2 1 367.372 -0.066 20 0 FBADMP COC(=O)[C@H](CCCC[NH2+]C1CC[NH+](C)CC1)NC(=O)CNC(C)=O ZINC001256201885 846332062 /nfs/dbraw/zinc/33/20/62/846332062.db2.gz NSENVOAJIFOYNQ-HNNXBMFYSA-N 2 1 356.467 -0.366 20 0 FBADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256254704 846334441 /nfs/dbraw/zinc/33/44/41/846334441.db2.gz NCEQPDNDIUHNSR-GRYCIOLGSA-N 2 1 359.423 -0.125 20 0 FBADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256254705 846334318 /nfs/dbraw/zinc/33/43/18/846334318.db2.gz NCEQPDNDIUHNSR-IJLUTSLNSA-N 2 1 359.423 -0.125 20 0 FBADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256254706 846334576 /nfs/dbraw/zinc/33/45/76/846334576.db2.gz NCEQPDNDIUHNSR-QJPTWQEYSA-N 2 1 359.423 -0.125 20 0 FBADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256254707 846334384 /nfs/dbraw/zinc/33/43/84/846334384.db2.gz NCEQPDNDIUHNSR-SDDRHHMPSA-N 2 1 359.423 -0.125 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001256862455 846353466 /nfs/dbraw/zinc/35/34/66/846353466.db2.gz DUUDQRWIDOSSIA-UHFFFAOYSA-N 2 1 353.511 -0.269 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001257150807 846364620 /nfs/dbraw/zinc/36/46/20/846364620.db2.gz NGVBNXPVVGISBX-INIZCTEOSA-N 2 1 351.495 -0.661 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001257150810 846365478 /nfs/dbraw/zinc/36/54/78/846365478.db2.gz NGVBNXPVVGISBX-MRXNPFEDSA-N 2 1 351.495 -0.661 20 0 FBADMP C[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001257239650 846369537 /nfs/dbraw/zinc/36/95/37/846369537.db2.gz YFECWTITOJVMCO-UHFFFAOYSA-N 2 1 372.535 -0.104 20 0 FBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C[C@H]1C(=O)OC ZINC001257719194 846386403 /nfs/dbraw/zinc/38/64/03/846386403.db2.gz QCRZYDUOQQLXAF-RBSFLKMASA-N 2 1 360.451 -0.616 20 0 FBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C[C@H]1C(=O)OC ZINC001257719195 846386173 /nfs/dbraw/zinc/38/61/73/846386173.db2.gz QCRZYDUOQQLXAF-RRFJBIMHSA-N 2 1 360.451 -0.616 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001257922391 846391914 /nfs/dbraw/zinc/39/19/14/846391914.db2.gz FJUHRJOBJSYTKL-HNNXBMFYSA-N 2 1 363.524 -0.030 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001257922392 846391664 /nfs/dbraw/zinc/39/16/64/846391664.db2.gz FJUHRJOBJSYTKL-OAHLLOKOSA-N 2 1 363.524 -0.030 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001257942521 846394077 /nfs/dbraw/zinc/39/40/77/846394077.db2.gz WTBCIEGDWAAOPB-HNNXBMFYSA-N 2 1 363.524 -0.078 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001257942521 846394072 /nfs/dbraw/zinc/39/40/72/846394072.db2.gz WTBCIEGDWAAOPB-HNNXBMFYSA-N 2 1 363.524 -0.078 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001257942522 846394171 /nfs/dbraw/zinc/39/41/71/846394171.db2.gz WTBCIEGDWAAOPB-OAHLLOKOSA-N 2 1 363.524 -0.078 20 0 FBADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001257942522 846394162 /nfs/dbraw/zinc/39/41/62/846394162.db2.gz WTBCIEGDWAAOPB-OAHLLOKOSA-N 2 1 363.524 -0.078 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC001261341146 846524420 /nfs/dbraw/zinc/52/44/20/846524420.db2.gz SOKVRUOEOQZTSL-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC001261341146 846524416 /nfs/dbraw/zinc/52/44/16/846524416.db2.gz SOKVRUOEOQZTSL-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC001261341147 846524582 /nfs/dbraw/zinc/52/45/82/846524582.db2.gz SOKVRUOEOQZTSL-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC001261341147 846524570 /nfs/dbraw/zinc/52/45/70/846524570.db2.gz SOKVRUOEOQZTSL-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC001261341148 846524405 /nfs/dbraw/zinc/52/44/05/846524405.db2.gz SOKVRUOEOQZTSL-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC001261341148 846524400 /nfs/dbraw/zinc/52/44/00/846524400.db2.gz SOKVRUOEOQZTSL-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC001261341149 846524333 /nfs/dbraw/zinc/52/43/33/846524333.db2.gz SOKVRUOEOQZTSL-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC001261341149 846524326 /nfs/dbraw/zinc/52/43/26/846524326.db2.gz SOKVRUOEOQZTSL-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261344878 846525449 /nfs/dbraw/zinc/52/54/49/846525449.db2.gz DYIRMWSVPJCDKZ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261344878 846525446 /nfs/dbraw/zinc/52/54/46/846525446.db2.gz DYIRMWSVPJCDKZ-CABCVRRESA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261344879 846525323 /nfs/dbraw/zinc/52/53/23/846525323.db2.gz DYIRMWSVPJCDKZ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001261344879 846525320 /nfs/dbraw/zinc/52/53/20/846525320.db2.gz DYIRMWSVPJCDKZ-GJZGRUSLSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261344880 846525672 /nfs/dbraw/zinc/52/56/72/846525672.db2.gz DYIRMWSVPJCDKZ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261344880 846525663 /nfs/dbraw/zinc/52/56/63/846525663.db2.gz DYIRMWSVPJCDKZ-HUUCEWRRSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261344881 846525809 /nfs/dbraw/zinc/52/58/09/846525809.db2.gz DYIRMWSVPJCDKZ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001261344881 846525800 /nfs/dbraw/zinc/52/58/00/846525800.db2.gz DYIRMWSVPJCDKZ-LSDHHAIUSA-N 2 1 354.495 -0.300 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001261457493 846537895 /nfs/dbraw/zinc/53/78/95/846537895.db2.gz LZJSTXUYURDYSQ-UHFFFAOYSA-N 2 1 351.455 -0.701 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001261481724 846544102 /nfs/dbraw/zinc/54/41/02/846544102.db2.gz MDZOLKRZKOZTRY-POZPTJLLSA-N 2 1 351.451 -0.316 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001261481725 846544127 /nfs/dbraw/zinc/54/41/27/846544127.db2.gz MDZOLKRZKOZTRY-SFYCDEOASA-N 2 1 351.451 -0.316 20 0 FBADMP C[NH2+][C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)c1cnn(C)c1 ZINC001261491762 846547941 /nfs/dbraw/zinc/54/79/41/846547941.db2.gz FMJAEEKFJSCQBT-AWEZNQCLSA-N 2 1 366.447 -0.444 20 0 FBADMP C[NH2+][C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)c1cnn(C)c1 ZINC001261491763 846547602 /nfs/dbraw/zinc/54/76/02/846547602.db2.gz FMJAEEKFJSCQBT-CQSZACIVSA-N 2 1 366.447 -0.444 20 0 FBADMP O=C1N[C@H]2C[N@@H+](CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503061 846551170 /nfs/dbraw/zinc/55/11/70/846551170.db2.gz LAIREXUKNRBUHE-DLBZAZTESA-N 2 1 351.495 -0.071 20 0 FBADMP O=C1N[C@@H]2C[N@@H+](CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503062 846551259 /nfs/dbraw/zinc/55/12/59/846551259.db2.gz LAIREXUKNRBUHE-IAGOWNOFSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C1N[C@H]2C[N@@H+](CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503063 846551243 /nfs/dbraw/zinc/55/12/43/846551243.db2.gz LAIREXUKNRBUHE-IRXDYDNUSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C1N[C@@H]2C[N@@H+](CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503064 846551194 /nfs/dbraw/zinc/55/11/94/846551194.db2.gz LAIREXUKNRBUHE-SJORKVTESA-N 2 1 351.495 -0.071 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC001261507619 846551914 /nfs/dbraw/zinc/55/19/14/846551914.db2.gz FFXLADMWXLARGT-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001261560110 846567080 /nfs/dbraw/zinc/56/70/80/846567080.db2.gz ILDJOEIPDCJWPD-FZNQNYSPSA-N 2 1 353.511 -0.415 20 0 FBADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001261631727 846584603 /nfs/dbraw/zinc/58/46/03/846584603.db2.gz CUCJKSXNPDHTIG-UHFFFAOYSA-N 2 1 352.439 -0.371 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnc2n1CCOC2 ZINC001261660810 846591032 /nfs/dbraw/zinc/59/10/32/846591032.db2.gz WZHLGAWBIUNYGA-ZDUSSCGKSA-N 2 1 353.471 -0.121 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnc2n1CCOC2 ZINC001261660810 846591030 /nfs/dbraw/zinc/59/10/30/846591030.db2.gz WZHLGAWBIUNYGA-ZDUSSCGKSA-N 2 1 353.471 -0.121 20 0 FBADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001261918062 846652437 /nfs/dbraw/zinc/65/24/37/846652437.db2.gz QEVBKLDCACVEDJ-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001262013411 846668692 /nfs/dbraw/zinc/66/86/92/846668692.db2.gz BEDUCKXQMSXAOX-KRWDZBQOSA-N 2 1 351.451 -0.493 20 0 FBADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001262013412 846668888 /nfs/dbraw/zinc/66/88/88/846668888.db2.gz BEDUCKXQMSXAOX-QGZVFWFLSA-N 2 1 351.451 -0.493 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC001262027226 846671348 /nfs/dbraw/zinc/67/13/48/846671348.db2.gz WIGNYUZKSKMJCT-AWEZNQCLSA-N 2 1 370.523 -0.085 20 0 FBADMP CS(=O)(=O)N1CCC[C@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC001262027227 846671308 /nfs/dbraw/zinc/67/13/08/846671308.db2.gz WIGNYUZKSKMJCT-CQSZACIVSA-N 2 1 370.523 -0.085 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)n1C ZINC001262060177 846672939 /nfs/dbraw/zinc/67/29/39/846672939.db2.gz SAYXPAZPKFUTBL-JTQLQIEISA-N 2 1 358.393 -0.537 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)n1C ZINC001262060178 846673518 /nfs/dbraw/zinc/67/35/18/846673518.db2.gz SAYXPAZPKFUTBL-SNVBAGLBSA-N 2 1 358.393 -0.537 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H]1CC[NH3+] ZINC001262161810 846681559 /nfs/dbraw/zinc/68/15/59/846681559.db2.gz VCYUKAWIKXUCHR-HZPDHXFCSA-N 2 1 353.511 -0.474 20 0 FBADMP C[C@]1(O)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001262161900 846681927 /nfs/dbraw/zinc/68/19/27/846681927.db2.gz XGQSZNFMKGQNRG-DAYGRLMNSA-N 2 1 350.463 -0.603 20 0 FBADMP C[C@]1(O)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001262161900 846681923 /nfs/dbraw/zinc/68/19/23/846681923.db2.gz XGQSZNFMKGQNRG-DAYGRLMNSA-N 2 1 350.463 -0.603 20 0 FBADMP C[C@@]1(O)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001262161901 846681891 /nfs/dbraw/zinc/68/18/91/846681891.db2.gz XGQSZNFMKGQNRG-RVKKMQEKSA-N 2 1 350.463 -0.603 20 0 FBADMP C[C@@]1(O)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001262161901 846681887 /nfs/dbraw/zinc/68/18/87/846681887.db2.gz XGQSZNFMKGQNRG-RVKKMQEKSA-N 2 1 350.463 -0.603 20 0 FBADMP CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC001262195331 846685469 /nfs/dbraw/zinc/68/54/69/846685469.db2.gz XGKVUVLRLHJOAL-UHFFFAOYSA-N 2 1 358.439 -0.338 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001262202876 846686631 /nfs/dbraw/zinc/68/66/31/846686631.db2.gz FRGZVNQNTRZVPH-JKSUJKDBSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCC1 ZINC001262255519 846693924 /nfs/dbraw/zinc/69/39/24/846693924.db2.gz QRANQGBHJOPWFT-CABCVRRESA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCC1 ZINC001262255520 846694206 /nfs/dbraw/zinc/69/42/06/846694206.db2.gz QRANQGBHJOPWFT-GJZGRUSLSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCC1 ZINC001262255521 846694386 /nfs/dbraw/zinc/69/43/86/846694386.db2.gz QRANQGBHJOPWFT-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCC1 ZINC001262255522 846694144 /nfs/dbraw/zinc/69/41/44/846694144.db2.gz QRANQGBHJOPWFT-LSDHHAIUSA-N 2 1 352.479 -0.356 20 0 FBADMP O=C(NC[C@H]1CCOC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262543672 846736136 /nfs/dbraw/zinc/73/61/36/846736136.db2.gz HVENTGWOGDDCPU-BMFZPTHFSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@H]1CCOC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262543672 846736127 /nfs/dbraw/zinc/73/61/27/846736127.db2.gz HVENTGWOGDDCPU-BMFZPTHFSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CCOC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262543673 846735468 /nfs/dbraw/zinc/73/54/68/846735468.db2.gz HVENTGWOGDDCPU-CWRNSKLLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC[C@@H]1CCOC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262543673 846735456 /nfs/dbraw/zinc/73/54/56/846735456.db2.gz HVENTGWOGDDCPU-CWRNSKLLSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(NC1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262543835 846736067 /nfs/dbraw/zinc/73/60/67/846736067.db2.gz MGPHNFAWLVKZKV-IYBDPMFKSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(NC1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262543835 846736057 /nfs/dbraw/zinc/73/60/57/846736057.db2.gz MGPHNFAWLVKZKV-IYBDPMFKSA-N 2 1 350.463 -0.291 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001262544202 846735857 /nfs/dbraw/zinc/73/58/57/846735857.db2.gz WGHNYKHHBUKBOV-ARFHVFGLSA-N 2 1 351.495 -0.471 20 0 FBADMP CCS(=O)(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262562118 846738974 /nfs/dbraw/zinc/73/89/74/846738974.db2.gz POJAFSGOQSYZRC-GASCZTMLSA-N 2 1 373.523 -0.464 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001262572622 846739689 /nfs/dbraw/zinc/73/96/89/846739689.db2.gz ZRBSMOYFMJCHDP-UHFFFAOYSA-N 2 1 355.483 -0.312 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001262583526 846740782 /nfs/dbraw/zinc/74/07/82/846740782.db2.gz AFHLQNGGMWRSIG-CALCHBBNSA-N 2 1 350.511 -0.498 20 0 FBADMP O=C(NCCN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262583526 846740774 /nfs/dbraw/zinc/74/07/74/846740774.db2.gz AFHLQNGGMWRSIG-CALCHBBNSA-N 3 1 350.511 -0.498 20 0 FBADMP O=C(NCCN1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262589513 846741961 /nfs/dbraw/zinc/74/19/61/846741961.db2.gz KRRBNPNAVUNYRG-GASCZTMLSA-N 2 1 350.467 -0.378 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001262594347 846742570 /nfs/dbraw/zinc/74/25/70/846742570.db2.gz PPYYXRMSZMSHMO-KBPBESRZSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001262594348 846742822 /nfs/dbraw/zinc/74/28/22/846742822.db2.gz PPYYXRMSZMSHMO-UONOGXRCSA-N 2 1 354.451 -0.620 20 0 FBADMP CC(C)C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C(=O)NCC[NH+](C)C ZINC001262616165 846742939 /nfs/dbraw/zinc/74/29/39/846742939.db2.gz HDAJAXOTTQHMNA-INIZCTEOSA-N 2 1 356.511 -0.101 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001263097332 846754917 /nfs/dbraw/zinc/75/49/17/846754917.db2.gz SGECCQTZACRTHF-KRWDZBQOSA-N 2 1 355.527 -0.134 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001263097333 846754850 /nfs/dbraw/zinc/75/48/50/846754850.db2.gz SGECCQTZACRTHF-QGZVFWFLSA-N 2 1 355.527 -0.134 20 0 FBADMP [NH3+]CCn1cc(Br)cc(C(=O)N2CC[NH+](CCO)CC2)c1=O ZINC001263108441 846756470 /nfs/dbraw/zinc/75/64/70/846756470.db2.gz XHPMAVXNMXOBHS-UHFFFAOYSA-N 2 1 373.251 -0.680 20 0 FBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001263125846 846757177 /nfs/dbraw/zinc/75/71/77/846757177.db2.gz ULLNSTYWORAFEH-LRDDRELGSA-N 2 1 367.475 -0.861 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156244 846758612 /nfs/dbraw/zinc/75/86/12/846758612.db2.gz QPIXXDMHQROLCD-QLFBSQMISA-N 2 1 350.463 -0.434 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156245 846759013 /nfs/dbraw/zinc/75/90/13/846759013.db2.gz QPIXXDMHQROLCD-RBSFLKMASA-N 2 1 350.463 -0.434 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156246 846759026 /nfs/dbraw/zinc/75/90/26/846759026.db2.gz QPIXXDMHQROLCD-RRFJBIMHSA-N 2 1 350.463 -0.434 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156247 846759044 /nfs/dbraw/zinc/75/90/44/846759044.db2.gz QPIXXDMHQROLCD-SOUVJXGZSA-N 2 1 350.463 -0.434 20 0 FBADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC001263165129 846758784 /nfs/dbraw/zinc/75/87/84/846758784.db2.gz RKMZCSUMMAXSSP-LLVKDONJSA-N 2 1 352.464 -0.054 20 0 FBADMP C[C@H]([NH3+])c1nc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC001263165130 846758668 /nfs/dbraw/zinc/75/86/68/846758668.db2.gz RKMZCSUMMAXSSP-NSHDSACASA-N 2 1 352.464 -0.054 20 0 FBADMP C[C@]1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCS(=O)(=O)N1 ZINC001263190788 846759768 /nfs/dbraw/zinc/75/97/68/846759768.db2.gz QYFVQRYVCXVYRC-HLLBOEOZSA-N 2 1 370.519 -0.115 20 0 FBADMP C[C@@]1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCS(=O)(=O)N1 ZINC001263190789 846761112 /nfs/dbraw/zinc/76/11/12/846761112.db2.gz QYFVQRYVCXVYRC-UXLLHSPISA-N 2 1 370.519 -0.115 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCSC1 ZINC001263713216 846769308 /nfs/dbraw/zinc/76/93/08/846769308.db2.gz AGWWUPRKVDGGCT-BHYGNILZSA-N 2 1 372.535 -0.051 20 0 FBADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCSC1 ZINC001263713217 846769726 /nfs/dbraw/zinc/76/97/26/846769726.db2.gz AGWWUPRKVDGGCT-USXIJHARSA-N 2 1 372.535 -0.051 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773455 846772466 /nfs/dbraw/zinc/77/24/66/846772466.db2.gz VEVPTUCHJUILSU-CVEARBPZSA-N 2 1 352.479 -0.940 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773456 846772419 /nfs/dbraw/zinc/77/24/19/846772419.db2.gz VEVPTUCHJUILSU-HOTGVXAUSA-N 2 1 352.479 -0.940 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773457 846772632 /nfs/dbraw/zinc/77/26/32/846772632.db2.gz VEVPTUCHJUILSU-HZPDHXFCSA-N 2 1 352.479 -0.940 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773458 846772197 /nfs/dbraw/zinc/77/21/97/846772197.db2.gz VEVPTUCHJUILSU-JKSUJKDBSA-N 2 1 352.479 -0.940 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@@H]1C[N@@H+](C)CCN1C ZINC001263778068 846772897 /nfs/dbraw/zinc/77/28/97/846772897.db2.gz DDQJYSVJNCCGLX-HZMVEIRTSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@@H]1C[N@H+](C)CCN1C ZINC001263778068 846772887 /nfs/dbraw/zinc/77/28/87/846772887.db2.gz DDQJYSVJNCCGLX-HZMVEIRTSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@@H]1C[NH+](C)CCN1C ZINC001263778068 846772878 /nfs/dbraw/zinc/77/28/78/846772878.db2.gz DDQJYSVJNCCGLX-HZMVEIRTSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@H]1C[N@@H+](C)CCN1C ZINC001263778069 846772272 /nfs/dbraw/zinc/77/22/72/846772272.db2.gz DDQJYSVJNCCGLX-VVLHAWIVSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@H]1C[N@H+](C)CCN1C ZINC001263778069 846772269 /nfs/dbraw/zinc/77/22/69/846772269.db2.gz DDQJYSVJNCCGLX-VVLHAWIVSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@H]1C[NH+](C)CCN1C ZINC001263778069 846772264 /nfs/dbraw/zinc/77/22/64/846772264.db2.gz DDQJYSVJNCCGLX-VVLHAWIVSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@H]1C[N@@H+](C)CCN1C ZINC001263778070 846771845 /nfs/dbraw/zinc/77/18/45/846771845.db2.gz DDQJYSVJNCCGLX-YLFCFFPRSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@H]1C[N@H+](C)CCN1C ZINC001263778070 846771836 /nfs/dbraw/zinc/77/18/36/846771836.db2.gz DDQJYSVJNCCGLX-YLFCFFPRSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@H]1C[NH+](C)CCN1C ZINC001263778070 846771829 /nfs/dbraw/zinc/77/18/29/846771829.db2.gz DDQJYSVJNCCGLX-YLFCFFPRSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@@H]1C[N@@H+](C)CCN1C ZINC001263778071 846772069 /nfs/dbraw/zinc/77/20/69/846772069.db2.gz DDQJYSVJNCCGLX-YVSFHVDLSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@@H]1C[N@H+](C)CCN1C ZINC001263778071 846772064 /nfs/dbraw/zinc/77/20/64/846772064.db2.gz DDQJYSVJNCCGLX-YVSFHVDLSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@@H]1C[NH+](C)CCN1C ZINC001263778071 846772060 /nfs/dbraw/zinc/77/20/60/846772060.db2.gz DDQJYSVJNCCGLX-YVSFHVDLSA-N 2 1 353.511 -0.139 20 0 FBADMP C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001263778482 846772158 /nfs/dbraw/zinc/77/21/58/846772158.db2.gz LRZMNXYLPSBTRC-CABCVRRESA-N 2 1 356.515 -0.718 20 0 FBADMP C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001263778483 846771996 /nfs/dbraw/zinc/77/19/96/846771996.db2.gz LRZMNXYLPSBTRC-GJZGRUSLSA-N 2 1 356.515 -0.718 20 0 FBADMP C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001263778484 846772240 /nfs/dbraw/zinc/77/22/40/846772240.db2.gz LRZMNXYLPSBTRC-HUUCEWRRSA-N 2 1 356.515 -0.718 20 0 FBADMP C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001263778485 846772737 /nfs/dbraw/zinc/77/27/37/846772737.db2.gz LRZMNXYLPSBTRC-LSDHHAIUSA-N 2 1 356.515 -0.718 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001263861974 846775054 /nfs/dbraw/zinc/77/50/54/846775054.db2.gz VJYMFEOVCPRWOT-XDQVBPFNSA-N 2 1 353.467 -0.343 20 0 FBADMP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)S(C)(=O)=O ZINC001263894061 846777275 /nfs/dbraw/zinc/77/72/75/846777275.db2.gz RXFCNXPJTLTGKL-RRFJBIMHSA-N 2 1 360.524 -0.154 20 0 FBADMP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)S(C)(=O)=O ZINC001263894062 846777347 /nfs/dbraw/zinc/77/73/47/846777347.db2.gz RXFCNXPJTLTGKL-ZNMIVQPWSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001263931690 846781860 /nfs/dbraw/zinc/78/18/60/846781860.db2.gz DPYGPZQCSKXPQJ-RRFJBIMHSA-N 2 1 361.508 -0.374 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001263931690 846781855 /nfs/dbraw/zinc/78/18/55/846781855.db2.gz DPYGPZQCSKXPQJ-RRFJBIMHSA-N 2 1 361.508 -0.374 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001263931691 846781846 /nfs/dbraw/zinc/78/18/46/846781846.db2.gz DPYGPZQCSKXPQJ-ZNMIVQPWSA-N 2 1 361.508 -0.374 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001263931691 846781844 /nfs/dbraw/zinc/78/18/44/846781844.db2.gz DPYGPZQCSKXPQJ-ZNMIVQPWSA-N 2 1 361.508 -0.374 20 0 FBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001263932188 846781946 /nfs/dbraw/zinc/78/19/46/846781946.db2.gz XSMYCKYIIRXMLL-UONOGXRCSA-N 2 1 357.480 -0.385 20 0 FBADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+][C@H](C)C(=O)NC ZINC001263969232 846786397 /nfs/dbraw/zinc/78/63/97/846786397.db2.gz JKWGAXTUROECOA-RBSFLKMASA-N 2 1 351.451 -0.221 20 0 FBADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001263969233 846786638 /nfs/dbraw/zinc/78/66/38/846786638.db2.gz JKWGAXTUROECOA-RRFJBIMHSA-N 2 1 351.451 -0.221 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]C[C@H](O)COC ZINC001263970278 846787724 /nfs/dbraw/zinc/78/77/24/846787724.db2.gz OHWLRLSYWBTEHM-LTIDMASMSA-N 2 1 357.495 -0.069 20 0 FBADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+][C@H](C)C(=O)NC ZINC001263975274 846788913 /nfs/dbraw/zinc/78/89/13/846788913.db2.gz CTXSXFLPFIDSFU-BPLDGKMQSA-N 2 1 351.451 -0.221 20 0 FBADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001263975275 846788680 /nfs/dbraw/zinc/78/86/80/846788680.db2.gz CTXSXFLPFIDSFU-NWANDNLSSA-N 2 1 351.451 -0.221 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001263975733 846789006 /nfs/dbraw/zinc/78/90/06/846789006.db2.gz OHPQMLLPQTUALZ-ARFHVFGLSA-N 2 1 350.467 -0.317 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001263975734 846788854 /nfs/dbraw/zinc/78/88/54/846788854.db2.gz OHPQMLLPQTUALZ-BZUAXINKSA-N 2 1 350.467 -0.317 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001263975875 846789038 /nfs/dbraw/zinc/78/90/38/846789038.db2.gz UMNJKHHIYMGTIZ-ARFHVFGLSA-N 2 1 354.495 -0.084 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001263975876 846788506 /nfs/dbraw/zinc/78/85/06/846788506.db2.gz UMNJKHHIYMGTIZ-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001263994018 846790471 /nfs/dbraw/zinc/79/04/71/846790471.db2.gz BTIVWVMLIDSSQK-MAUKXSAKSA-N 2 1 355.479 -0.313 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCNS(C)(=O)=O ZINC001264061648 846795375 /nfs/dbraw/zinc/79/53/75/846795375.db2.gz GBGBVVQUNMBOGH-LSDHHAIUSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264061648 846795370 /nfs/dbraw/zinc/79/53/70/846795370.db2.gz GBGBVVQUNMBOGH-LSDHHAIUSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096249 846800309 /nfs/dbraw/zinc/80/03/09/846800309.db2.gz ILZPCNPFPARRKG-KGLIPLIRSA-N 2 1 353.467 -0.436 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001264101000 846801617 /nfs/dbraw/zinc/80/16/17/846801617.db2.gz PSFLGNGRGKDGPW-KGLIPLIRSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001264101000 846801607 /nfs/dbraw/zinc/80/16/07/846801607.db2.gz PSFLGNGRGKDGPW-KGLIPLIRSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264101000 846801597 /nfs/dbraw/zinc/80/15/97/846801597.db2.gz PSFLGNGRGKDGPW-KGLIPLIRSA-N 2 1 353.467 -0.438 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001264119033 846802536 /nfs/dbraw/zinc/80/25/36/846802536.db2.gz SHPAXSVVUAUVQU-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001264119034 846802515 /nfs/dbraw/zinc/80/25/15/846802515.db2.gz SHPAXSVVUAUVQU-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264141572 846805883 /nfs/dbraw/zinc/80/58/83/846805883.db2.gz CIUIHWXAFIZOCI-ILXRZTDVSA-N 2 1 353.467 -0.355 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001264146204 846806660 /nfs/dbraw/zinc/80/66/60/846806660.db2.gz WKCSXSRWWKTZOV-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001264146204 846806651 /nfs/dbraw/zinc/80/66/51/846806651.db2.gz WKCSXSRWWKTZOV-CABCVRRESA-N 2 1 352.479 -0.092 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001264159284 846810150 /nfs/dbraw/zinc/81/01/50/846810150.db2.gz VFKLXYCCHOVVIL-HIFRSBDPSA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001264159284 846810145 /nfs/dbraw/zinc/81/01/45/846810145.db2.gz VFKLXYCCHOVVIL-HIFRSBDPSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)[C@@H]1C)[NH+](C)C ZINC001264161173 846809811 /nfs/dbraw/zinc/80/98/11/846809811.db2.gz DRTQBVHETGNSSH-UGUYLWEFSA-N 2 1 354.495 -0.111 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001264163244 846810341 /nfs/dbraw/zinc/81/03/41/846810341.db2.gz DEHDBGKHGRWTQO-OCCSQVGLSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001264163244 846810334 /nfs/dbraw/zinc/81/03/34/846810334.db2.gz DEHDBGKHGRWTQO-OCCSQVGLSA-N 2 1 353.467 -0.247 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264167839 846812086 /nfs/dbraw/zinc/81/20/86/846812086.db2.gz CLOGJCJZFZMXAJ-ZBFHGGJFSA-N 2 1 352.479 -0.186 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001264169480 846811760 /nfs/dbraw/zinc/81/17/60/846811760.db2.gz JLRBALFQQAHOHZ-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001264169480 846811749 /nfs/dbraw/zinc/81/17/49/846811749.db2.gz JLRBALFQQAHOHZ-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001264169480 846811741 /nfs/dbraw/zinc/81/17/41/846811741.db2.gz JLRBALFQQAHOHZ-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001264342420 846815875 /nfs/dbraw/zinc/81/58/75/846815875.db2.gz MGWBEUFAVAHRDQ-MCIONIFRSA-N 2 1 353.467 -0.057 20 0 FBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001264392547 846817395 /nfs/dbraw/zinc/81/73/95/846817395.db2.gz SIFOMVUOEPONAM-MEBFFEOJSA-N 2 1 353.467 -0.345 20 0 FBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001264392548 846817680 /nfs/dbraw/zinc/81/76/80/846817680.db2.gz SIFOMVUOEPONAM-XGFWRYKXSA-N 2 1 353.467 -0.345 20 0 FBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001264456710 846818557 /nfs/dbraw/zinc/81/85/57/846818557.db2.gz ZIOSEXJVJQENFY-RRFJBIMHSA-N 2 1 361.508 -0.374 20 0 FBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001264456710 846818554 /nfs/dbraw/zinc/81/85/54/846818554.db2.gz ZIOSEXJVJQENFY-RRFJBIMHSA-N 2 1 361.508 -0.374 20 0 FBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001264456711 846819110 /nfs/dbraw/zinc/81/91/10/846819110.db2.gz ZIOSEXJVJQENFY-ZNMIVQPWSA-N 2 1 361.508 -0.374 20 0 FBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001264456711 846819106 /nfs/dbraw/zinc/81/91/06/846819106.db2.gz ZIOSEXJVJQENFY-ZNMIVQPWSA-N 2 1 361.508 -0.374 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001264467855 846819908 /nfs/dbraw/zinc/81/99/08/846819908.db2.gz XGJDHNVMFITWGI-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264467856 846819827 /nfs/dbraw/zinc/81/98/27/846819827.db2.gz XGJDHNVMFITWGI-MJBXVCDLSA-N 2 1 353.467 -0.199 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264473595 846820809 /nfs/dbraw/zinc/82/08/09/846820809.db2.gz PUGCGWXVCNDDRD-RRFJBIMHSA-N 2 1 360.524 -0.106 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001264478840 846820892 /nfs/dbraw/zinc/82/08/92/846820892.db2.gz RUJLADRXHFEVNI-HZSPNIEDSA-N 2 1 350.467 -0.175 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001264478841 846820684 /nfs/dbraw/zinc/82/06/84/846820684.db2.gz RUJLADRXHFEVNI-MELADBBJSA-N 2 1 350.467 -0.175 20 0 FBADMP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001264482446 846821113 /nfs/dbraw/zinc/82/11/13/846821113.db2.gz JWJRDFWXLTWOMJ-LSDHHAIUSA-N 2 1 350.467 -0.088 20 0 FBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264487146 846821927 /nfs/dbraw/zinc/82/19/27/846821927.db2.gz SWSYOLWOAQZMOY-RRFJBIMHSA-N 2 1 360.524 -0.248 20 0 FBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264487147 846822185 /nfs/dbraw/zinc/82/21/85/846822185.db2.gz SWSYOLWOAQZMOY-SOUVJXGZSA-N 2 1 360.524 -0.248 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264490879 846822122 /nfs/dbraw/zinc/82/21/22/846822122.db2.gz FAWMMLYFZCVVSB-RRFJBIMHSA-N 2 1 360.524 -0.248 20 0 FBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001264490880 846822573 /nfs/dbraw/zinc/82/25/73/846822573.db2.gz FAWMMLYFZCVVSB-SOUVJXGZSA-N 2 1 360.524 -0.248 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264491196 846822079 /nfs/dbraw/zinc/82/20/79/846822079.db2.gz RNFKYUGMDQHSJQ-BFHYXJOUSA-N 2 1 353.467 -0.342 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001264491197 846821852 /nfs/dbraw/zinc/82/18/52/846821852.db2.gz RNFKYUGMDQHSJQ-MELADBBJSA-N 2 1 353.467 -0.342 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001264504072 846824217 /nfs/dbraw/zinc/82/42/17/846824217.db2.gz QYJSASQMLTWDHZ-AEGPPILISA-N 2 1 350.467 -0.480 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001264504074 846824299 /nfs/dbraw/zinc/82/42/99/846824299.db2.gz QYJSASQMLTWDHZ-VHDGCEQUSA-N 2 1 350.467 -0.480 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]C[C@@H](O)COC ZINC001264532385 846826670 /nfs/dbraw/zinc/82/66/70/846826670.db2.gz OHWLRLSYWBTEHM-WCXIOVBPSA-N 2 1 357.495 -0.069 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264532462 846826812 /nfs/dbraw/zinc/82/68/12/846826812.db2.gz RECPBPLPVXOOKT-CAOSSQGBSA-N 2 1 354.495 -0.084 20 0 FBADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533417 846827795 /nfs/dbraw/zinc/82/77/95/846827795.db2.gz GNXWCCPYRLABNF-ARFHVFGLSA-N 2 1 354.495 -0.131 20 0 FBADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533418 846827826 /nfs/dbraw/zinc/82/78/26/846827826.db2.gz GNXWCCPYRLABNF-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001264538739 846827484 /nfs/dbraw/zinc/82/74/84/846827484.db2.gz HQXUNSPVOXTQDK-HUUCEWRRSA-N 2 1 351.451 -0.219 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264538983 846827386 /nfs/dbraw/zinc/82/73/86/846827386.db2.gz RKHHHCOFHHPKBL-RBSFLKMASA-N 2 1 361.508 -0.564 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264538984 846827712 /nfs/dbraw/zinc/82/77/12/846827712.db2.gz RKHHHCOFHHPKBL-RRFJBIMHSA-N 2 1 361.508 -0.564 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264539006 846827417 /nfs/dbraw/zinc/82/74/17/846827417.db2.gz SKMQGESMPHIKCW-ARFHVFGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264539007 846828807 /nfs/dbraw/zinc/82/88/07/846828807.db2.gz SKMQGESMPHIKCW-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001264567102 846829934 /nfs/dbraw/zinc/82/99/34/846829934.db2.gz TVVUJNYWMOMSMK-ILXRZTDVSA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001264567103 846829580 /nfs/dbraw/zinc/82/95/80/846829580.db2.gz TVVUJNYWMOMSMK-KFWWJZLASA-N 2 1 360.524 -0.296 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264567156 846829946 /nfs/dbraw/zinc/82/99/46/846829946.db2.gz WGSWGDLRAPSZPY-MCIONIFRSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264567157 846829532 /nfs/dbraw/zinc/82/95/32/846829532.db2.gz WGSWGDLRAPSZPY-RDBSUJKOSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCNS(C)(=O)=O ZINC001264609092 846831253 /nfs/dbraw/zinc/83/12/53/846831253.db2.gz YAPAXSZSRGAUAL-APIJFGDWSA-N 2 1 360.524 -0.155 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCNS(C)(=O)=O ZINC001264609092 846831251 /nfs/dbraw/zinc/83/12/51/846831251.db2.gz YAPAXSZSRGAUAL-APIJFGDWSA-N 2 1 360.524 -0.155 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCNS(C)(=O)=O ZINC001264609092 846831245 /nfs/dbraw/zinc/83/12/45/846831245.db2.gz YAPAXSZSRGAUAL-APIJFGDWSA-N 2 1 360.524 -0.155 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264609092 846831239 /nfs/dbraw/zinc/83/12/39/846831239.db2.gz YAPAXSZSRGAUAL-APIJFGDWSA-N 2 1 360.524 -0.155 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001264623929 846834770 /nfs/dbraw/zinc/83/47/70/846834770.db2.gz URTXBJYPZMIRCX-UONOGXRCSA-N 2 1 353.467 -0.151 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001264623929 846834762 /nfs/dbraw/zinc/83/47/62/846834762.db2.gz URTXBJYPZMIRCX-UONOGXRCSA-N 2 1 353.467 -0.151 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001264623929 846834751 /nfs/dbraw/zinc/83/47/51/846834751.db2.gz URTXBJYPZMIRCX-UONOGXRCSA-N 2 1 353.467 -0.151 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001264643725 846838081 /nfs/dbraw/zinc/83/80/81/846838081.db2.gz JFYZQMICNNLVHH-YIYPIFLZSA-N 2 1 351.451 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001264643725 846838071 /nfs/dbraw/zinc/83/80/71/846838071.db2.gz JFYZQMICNNLVHH-YIYPIFLZSA-N 2 1 351.451 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001264643725 846838068 /nfs/dbraw/zinc/83/80/68/846838068.db2.gz JFYZQMICNNLVHH-YIYPIFLZSA-N 2 1 351.451 -0.698 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1)[NH+](C)C ZINC001264646386 846838827 /nfs/dbraw/zinc/83/88/27/846838827.db2.gz MSTNAXSWJVYDDT-HZSPNIEDSA-N 2 1 353.467 -0.438 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001264649362 846839981 /nfs/dbraw/zinc/83/99/81/846839981.db2.gz YNCXBLRVVHNWQL-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001264649362 846839976 /nfs/dbraw/zinc/83/99/76/846839976.db2.gz YNCXBLRVVHNWQL-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001264649362 846839974 /nfs/dbraw/zinc/83/99/74/846839974.db2.gz YNCXBLRVVHNWQL-HZSPNIEDSA-N 2 1 351.451 -0.684 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1 ZINC001264654628 846840165 /nfs/dbraw/zinc/84/01/65/846840165.db2.gz SWBLMMWPJMOVML-KGLIPLIRSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1 ZINC001264654628 846840158 /nfs/dbraw/zinc/84/01/58/846840158.db2.gz SWBLMMWPJMOVML-KGLIPLIRSA-N 2 1 353.467 -0.436 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(=O)NC)CC[C@@H]2C1 ZINC001264654628 846840148 /nfs/dbraw/zinc/84/01/48/846840148.db2.gz SWBLMMWPJMOVML-KGLIPLIRSA-N 2 1 353.467 -0.436 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264655967 846839698 /nfs/dbraw/zinc/83/96/98/846839698.db2.gz VKILSNCGKAFICL-KGLIPLIRSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264655967 846839690 /nfs/dbraw/zinc/83/96/90/846839690.db2.gz VKILSNCGKAFICL-KGLIPLIRSA-N 2 1 353.467 -0.307 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264655967 846839682 /nfs/dbraw/zinc/83/96/82/846839682.db2.gz VKILSNCGKAFICL-KGLIPLIRSA-N 2 1 353.467 -0.307 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658436 846841446 /nfs/dbraw/zinc/84/14/46/846841446.db2.gz MFXQDJXOJLSAHG-MCIONIFRSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658436 846841438 /nfs/dbraw/zinc/84/14/38/846841438.db2.gz MFXQDJXOJLSAHG-MCIONIFRSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658436 846841428 /nfs/dbraw/zinc/84/14/28/846841428.db2.gz MFXQDJXOJLSAHG-MCIONIFRSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658437 846842136 /nfs/dbraw/zinc/84/21/36/846842136.db2.gz MFXQDJXOJLSAHG-MJBXVCDLSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658437 846842131 /nfs/dbraw/zinc/84/21/31/846842131.db2.gz MFXQDJXOJLSAHG-MJBXVCDLSA-N 2 1 353.467 -0.310 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658437 846842128 /nfs/dbraw/zinc/84/21/28/846842128.db2.gz MFXQDJXOJLSAHG-MJBXVCDLSA-N 2 1 353.467 -0.310 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264700996 846845105 /nfs/dbraw/zinc/84/51/05/846845105.db2.gz CIUIHWXAFIZOCI-KFWWJZLASA-N 2 1 353.467 -0.355 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCN(C)S(C)(=O)=O ZINC001264705643 846847163 /nfs/dbraw/zinc/84/71/63/846847163.db2.gz YDMUPVMRIXRCSD-KGLIPLIRSA-N 2 1 360.524 -0.059 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001264705643 846847155 /nfs/dbraw/zinc/84/71/55/846847155.db2.gz YDMUPVMRIXRCSD-KGLIPLIRSA-N 2 1 360.524 -0.059 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001264706388 846846390 /nfs/dbraw/zinc/84/63/90/846846390.db2.gz CWMASIKZQUQGKG-MCIONIFRSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001264706388 846846387 /nfs/dbraw/zinc/84/63/87/846846387.db2.gz CWMASIKZQUQGKG-MCIONIFRSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001264706388 846846383 /nfs/dbraw/zinc/84/63/83/846846383.db2.gz CWMASIKZQUQGKG-MCIONIFRSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001264706388 846846377 /nfs/dbraw/zinc/84/63/77/846846377.db2.gz CWMASIKZQUQGKG-MCIONIFRSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001264706389 846847205 /nfs/dbraw/zinc/84/72/05/846847205.db2.gz CWMASIKZQUQGKG-RDBSUJKOSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001264706389 846847200 /nfs/dbraw/zinc/84/72/00/846847200.db2.gz CWMASIKZQUQGKG-RDBSUJKOSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001264706389 846847192 /nfs/dbraw/zinc/84/71/92/846847192.db2.gz CWMASIKZQUQGKG-RDBSUJKOSA-N 2 1 353.467 -0.105 20 0 FBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001264706389 846847186 /nfs/dbraw/zinc/84/71/86/846847186.db2.gz CWMASIKZQUQGKG-RDBSUJKOSA-N 2 1 353.467 -0.105 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001264706675 846846138 /nfs/dbraw/zinc/84/61/38/846846138.db2.gz NLRABMWGXXWYCF-IPYPFGDCSA-N 2 1 353.467 -0.297 20 0 FBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001264707846 846846977 /nfs/dbraw/zinc/84/69/77/846846977.db2.gz CXXUKLMNFFODFI-PMPSAXMXSA-N 2 1 357.495 -0.069 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001264716226 846848877 /nfs/dbraw/zinc/84/88/77/846848877.db2.gz ARUKNBSAYWHNQA-XGUBFFRZSA-N 2 1 360.524 -0.155 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001264716226 846848872 /nfs/dbraw/zinc/84/88/72/846848872.db2.gz ARUKNBSAYWHNQA-XGUBFFRZSA-N 2 1 360.524 -0.155 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCNS(C)(=O)=O ZINC001264716226 846848867 /nfs/dbraw/zinc/84/88/67/846848867.db2.gz ARUKNBSAYWHNQA-XGUBFFRZSA-N 2 1 360.524 -0.155 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264716226 846848858 /nfs/dbraw/zinc/84/88/58/846848858.db2.gz ARUKNBSAYWHNQA-XGUBFFRZSA-N 2 1 360.524 -0.155 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001264716275 846847979 /nfs/dbraw/zinc/84/79/79/846847979.db2.gz CLAZNIDTFVCSKG-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001264716275 846847972 /nfs/dbraw/zinc/84/79/72/846847972.db2.gz CLAZNIDTFVCSKG-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264718038 846850279 /nfs/dbraw/zinc/85/02/79/846850279.db2.gz VWPFJRUSOXQWSK-KGLIPLIRSA-N 2 1 355.483 -0.001 20 0 FBADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264718038 846850274 /nfs/dbraw/zinc/85/02/74/846850274.db2.gz VWPFJRUSOXQWSK-KGLIPLIRSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851978 /nfs/dbraw/zinc/85/19/78/846851978.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851968 /nfs/dbraw/zinc/85/19/68/846851968.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851962 /nfs/dbraw/zinc/85/19/62/846851962.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 2 1 353.467 -0.151 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)[C@@H]1C ZINC001264728965 846851869 /nfs/dbraw/zinc/85/18/69/846851869.db2.gz XPWWPUOISBROGC-CABCVRRESA-N 2 1 360.524 -0.057 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)[C@@H]1C ZINC001264728965 846851860 /nfs/dbraw/zinc/85/18/60/846851860.db2.gz XPWWPUOISBROGC-CABCVRRESA-N 2 1 360.524 -0.057 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCS2(=O)=O)[C@@H]1C ZINC001264728965 846851854 /nfs/dbraw/zinc/85/18/54/846851854.db2.gz XPWWPUOISBROGC-CABCVRRESA-N 2 1 360.524 -0.057 20 0 FBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCS2(=O)=O)[C@@H]1C ZINC001264728965 846851845 /nfs/dbraw/zinc/85/18/45/846851845.db2.gz XPWWPUOISBROGC-CABCVRRESA-N 2 1 360.524 -0.057 20 0 FBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN1C(=O)CNC1=O ZINC001265114891 846856675 /nfs/dbraw/zinc/85/66/75/846856675.db2.gz RSHQJSHMMGKJPR-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN1C(=O)CNC1=O ZINC001265114891 846856664 /nfs/dbraw/zinc/85/66/64/846856664.db2.gz RSHQJSHMMGKJPR-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCN1C(=O)CNC1=O ZINC001265114891 846856659 /nfs/dbraw/zinc/85/66/59/846856659.db2.gz RSHQJSHMMGKJPR-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001265430729 846860631 /nfs/dbraw/zinc/86/06/31/846860631.db2.gz HENRSNQBHHHMGE-KWCYVHTRSA-N 2 1 351.451 -0.495 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001265430780 846860955 /nfs/dbraw/zinc/86/09/55/846860955.db2.gz IXOFQSYDIZNDBC-VNQPRFMTSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@H+]1C ZINC001265540122 846862046 /nfs/dbraw/zinc/86/20/46/846862046.db2.gz GREOWYLKDVVAOJ-IBEHDNSVSA-N 2 1 352.479 -0.141 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@H+]1C ZINC001265540123 846861783 /nfs/dbraw/zinc/86/17/83/846861783.db2.gz GREOWYLKDVVAOJ-RBGFHDKUSA-N 2 1 352.479 -0.141 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265608781 846861677 /nfs/dbraw/zinc/86/16/77/846861677.db2.gz CQWXQUIYXPPOOW-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265608782 846862321 /nfs/dbraw/zinc/86/23/21/846862321.db2.gz CQWXQUIYXPPOOW-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001265670133 846863098 /nfs/dbraw/zinc/86/30/98/846863098.db2.gz LYMZBGMMQVQILN-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001265670134 846863927 /nfs/dbraw/zinc/86/39/27/846863927.db2.gz LYMZBGMMQVQILN-MELADBBJSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001265715924 846863286 /nfs/dbraw/zinc/86/32/86/846863286.db2.gz JOEKPMQZNDQKGB-QEHJDLSMSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001265715924 846863280 /nfs/dbraw/zinc/86/32/80/846863280.db2.gz JOEKPMQZNDQKGB-QEHJDLSMSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001265715924 846863270 /nfs/dbraw/zinc/86/32/70/846863270.db2.gz JOEKPMQZNDQKGB-QEHJDLSMSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001265715924 846863260 /nfs/dbraw/zinc/86/32/60/846863260.db2.gz JOEKPMQZNDQKGB-QEHJDLSMSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001265715925 846863798 /nfs/dbraw/zinc/86/37/98/846863798.db2.gz JOEKPMQZNDQKGB-WZBKEBKWSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001265715925 846863786 /nfs/dbraw/zinc/86/37/86/846863786.db2.gz JOEKPMQZNDQKGB-WZBKEBKWSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001265715925 846863784 /nfs/dbraw/zinc/86/37/84/846863784.db2.gz JOEKPMQZNDQKGB-WZBKEBKWSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001265715925 846863773 /nfs/dbraw/zinc/86/37/73/846863773.db2.gz JOEKPMQZNDQKGB-WZBKEBKWSA-N 2 1 351.451 -0.654 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001265777617 846864059 /nfs/dbraw/zinc/86/40/59/846864059.db2.gz QPUGSHMMNFKLJR-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001265777618 846863314 /nfs/dbraw/zinc/86/33/14/846863314.db2.gz QPUGSHMMNFKLJR-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001265849194 846864961 /nfs/dbraw/zinc/86/49/61/846864961.db2.gz WCZMUZZYNWCQGX-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001265849194 846864952 /nfs/dbraw/zinc/86/49/52/846864952.db2.gz WCZMUZZYNWCQGX-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001265849194 846864943 /nfs/dbraw/zinc/86/49/43/846864943.db2.gz WCZMUZZYNWCQGX-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC[C@@H]2CCOC2)CC[NH+]1C ZINC001265849195 846865051 /nfs/dbraw/zinc/86/50/51/846865051.db2.gz WCZMUZZYNWCQGX-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC[C@@H]2CCOC2)CC[NH+]1C ZINC001265849195 846865043 /nfs/dbraw/zinc/86/50/43/846865043.db2.gz WCZMUZZYNWCQGX-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC[C@@H]2CCOC2)CC[N@H+]1C ZINC001265849195 846865034 /nfs/dbraw/zinc/86/50/34/846865034.db2.gz WCZMUZZYNWCQGX-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001265905182 846865835 /nfs/dbraw/zinc/86/58/35/846865835.db2.gz CMAKSLYYIHXZOE-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265979517 846865798 /nfs/dbraw/zinc/86/57/98/846865798.db2.gz NLGCNXVXMLBPKH-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265979518 846865150 /nfs/dbraw/zinc/86/51/50/846865150.db2.gz NLGCNXVXMLBPKH-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266183642 846868670 /nfs/dbraw/zinc/86/86/70/846868670.db2.gz LIKAHWLUXJTMLZ-MBNYWOFBSA-N 2 1 353.467 -0.167 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266183642 846868664 /nfs/dbraw/zinc/86/86/64/846868664.db2.gz LIKAHWLUXJTMLZ-MBNYWOFBSA-N 2 1 353.467 -0.167 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266183643 846868313 /nfs/dbraw/zinc/86/83/13/846868313.db2.gz LIKAHWLUXJTMLZ-YRGRVCCFSA-N 2 1 353.467 -0.167 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266183643 846868305 /nfs/dbraw/zinc/86/83/05/846868305.db2.gz LIKAHWLUXJTMLZ-YRGRVCCFSA-N 2 1 353.467 -0.167 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN([C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001266264648 835974814 /nfs/dbraw/zinc/97/48/14/835974814.db2.gz CFVYIARGHOGOGV-HRCADAONSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN([C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001266264648 835974811 /nfs/dbraw/zinc/97/48/11/835974811.db2.gz CFVYIARGHOGOGV-HRCADAONSA-N 2 1 353.511 -0.286 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN([C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001266264649 835975002 /nfs/dbraw/zinc/97/50/02/835975002.db2.gz CFVYIARGHOGOGV-OWCLPIDISA-N 2 1 353.511 -0.286 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN([C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001266264649 835974991 /nfs/dbraw/zinc/97/49/91/835974991.db2.gz CFVYIARGHOGOGV-OWCLPIDISA-N 2 1 353.511 -0.286 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN([C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001266265179 835975244 /nfs/dbraw/zinc/97/52/44/835975244.db2.gz YKCFYKARHYWYHM-BZUAXINKSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN([C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001266265179 835975238 /nfs/dbraw/zinc/97/52/38/835975238.db2.gz YKCFYKARHYWYHM-BZUAXINKSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN([C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001266265180 835975068 /nfs/dbraw/zinc/97/50/68/835975068.db2.gz YKCFYKARHYWYHM-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN([C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001266265180 835975063 /nfs/dbraw/zinc/97/50/63/835975063.db2.gz YKCFYKARHYWYHM-OAGGEKHMSA-N 2 1 351.495 -0.661 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC001266276793 835975885 /nfs/dbraw/zinc/97/58/85/835975885.db2.gz BEMDUCBUFIXMLQ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC001266276793 835975872 /nfs/dbraw/zinc/97/58/72/835975872.db2.gz BEMDUCBUFIXMLQ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001266276793 835975861 /nfs/dbraw/zinc/97/58/61/835975861.db2.gz BEMDUCBUFIXMLQ-CHWSQXEVSA-N 2 1 353.467 -0.295 20 0 FBADMP CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266321172 835981519 /nfs/dbraw/zinc/98/15/19/835981519.db2.gz LNXSPUHEZQHUJQ-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266321173 835981152 /nfs/dbraw/zinc/98/11/52/835981152.db2.gz LNXSPUHEZQHUJQ-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266321970 835981573 /nfs/dbraw/zinc/98/15/73/835981573.db2.gz XYDNMXRYCXRFSV-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CCCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266321971 835981287 /nfs/dbraw/zinc/98/12/87/835981287.db2.gz XYDNMXRYCXRFSV-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCNS(C)(=O)=O)CC[NH+]1C ZINC001266464467 835991704 /nfs/dbraw/zinc/99/17/04/835991704.db2.gz AYJRJLACTXUUSL-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCNS(C)(=O)=O)CC[NH+]1C ZINC001266464467 835991699 /nfs/dbraw/zinc/99/16/99/835991699.db2.gz AYJRJLACTXUUSL-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCNS(C)(=O)=O)CC[N@H+]1C ZINC001266464467 835991690 /nfs/dbraw/zinc/99/16/90/835991690.db2.gz AYJRJLACTXUUSL-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001266464467 835991682 /nfs/dbraw/zinc/99/16/82/835991682.db2.gz AYJRJLACTXUUSL-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCNS(C)(=O)=O)CC[NH+]1C ZINC001266464468 835992239 /nfs/dbraw/zinc/99/22/39/835992239.db2.gz AYJRJLACTXUUSL-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCNS(C)(=O)=O)CC[NH+]1C ZINC001266464468 835992234 /nfs/dbraw/zinc/99/22/34/835992234.db2.gz AYJRJLACTXUUSL-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCNS(C)(=O)=O)CC[N@H+]1C ZINC001266464468 835992228 /nfs/dbraw/zinc/99/22/28/835992228.db2.gz AYJRJLACTXUUSL-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001266464468 835992223 /nfs/dbraw/zinc/99/22/23/835992223.db2.gz AYJRJLACTXUUSL-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266513739 835996291 /nfs/dbraw/zinc/99/62/91/835996291.db2.gz GEMIDODKEYUHQR-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266513739 835996282 /nfs/dbraw/zinc/99/62/82/835996282.db2.gz GEMIDODKEYUHQR-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513739 835996275 /nfs/dbraw/zinc/99/62/75/835996275.db2.gz GEMIDODKEYUHQR-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266513740 835996427 /nfs/dbraw/zinc/99/64/27/835996427.db2.gz GEMIDODKEYUHQR-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266513740 835996418 /nfs/dbraw/zinc/99/64/18/835996418.db2.gz GEMIDODKEYUHQR-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513740 835996409 /nfs/dbraw/zinc/99/64/09/835996409.db2.gz GEMIDODKEYUHQR-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001266560154 835998288 /nfs/dbraw/zinc/99/82/88/835998288.db2.gz BRQASOVELAARNH-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001266560154 835998286 /nfs/dbraw/zinc/99/82/86/835998286.db2.gz BRQASOVELAARNH-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001266560154 835998282 /nfs/dbraw/zinc/99/82/82/835998282.db2.gz BRQASOVELAARNH-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC ZINC001266560155 835998404 /nfs/dbraw/zinc/99/84/04/835998404.db2.gz BRQASOVELAARNH-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC ZINC001266560155 835998402 /nfs/dbraw/zinc/99/84/02/835998402.db2.gz BRQASOVELAARNH-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC ZINC001266560155 835998397 /nfs/dbraw/zinc/99/83/97/835998397.db2.gz BRQASOVELAARNH-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001266593529 836000309 /nfs/dbraw/zinc/00/03/09/836000309.db2.gz NCPLJTJSPAIOGO-OXGONZEZSA-N 2 1 352.479 -0.284 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001266593530 836000395 /nfs/dbraw/zinc/00/03/95/836000395.db2.gz NCPLJTJSPAIOGO-YIDVYQOGSA-N 2 1 352.479 -0.284 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266593539 836000438 /nfs/dbraw/zinc/00/04/38/836000438.db2.gz NOAMTVROJAYPDA-AAVRWANBSA-N 2 1 353.467 -0.201 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266685197 836007964 /nfs/dbraw/zinc/00/79/64/836007964.db2.gz BHRNBVSRMMXMRS-RFQIPJPRSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001266685636 836007908 /nfs/dbraw/zinc/00/79/08/836007908.db2.gz KFHNIWYAHOWQMK-LJISPDSOSA-N 2 1 360.524 -0.107 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001266686370 836008123 /nfs/dbraw/zinc/00/81/23/836008123.db2.gz ZDNCGBDBHNOZPB-YIYPIFLZSA-N 2 1 351.451 -0.495 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001266786200 836010748 /nfs/dbraw/zinc/01/07/48/836010748.db2.gz COWATHNASJYENK-HZSPNIEDSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001266786201 836010722 /nfs/dbraw/zinc/01/07/22/836010722.db2.gz COWATHNASJYENK-MELADBBJSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001266786440 836010816 /nfs/dbraw/zinc/01/08/16/836010816.db2.gz IMIQGSNWJOBQDN-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001266786441 836010793 /nfs/dbraw/zinc/01/07/93/836010793.db2.gz IMIQGSNWJOBQDN-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001266939282 836017625 /nfs/dbraw/zinc/01/76/25/836017625.db2.gz DTZQUUJUAWJRBV-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001266939283 836016740 /nfs/dbraw/zinc/01/67/40/836016740.db2.gz DTZQUUJUAWJRBV-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCCO)C2)CC[N@H+]1C ZINC001267001762 836020564 /nfs/dbraw/zinc/02/05/64/836020564.db2.gz WNNBKSMXBAYSDV-BZUAXINKSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCCO)C2)CC[N@H+]1C ZINC001267001763 836020355 /nfs/dbraw/zinc/02/03/55/836020355.db2.gz WNNBKSMXBAYSDV-OWCLPIDISA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001267167547 836026793 /nfs/dbraw/zinc/02/67/93/836026793.db2.gz GYDKYSRJBFWDAT-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001267167547 836026781 /nfs/dbraw/zinc/02/67/81/836026781.db2.gz GYDKYSRJBFWDAT-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001267167547 836026769 /nfs/dbraw/zinc/02/67/69/836026769.db2.gz GYDKYSRJBFWDAT-HZSPNIEDSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001267167548 836026576 /nfs/dbraw/zinc/02/65/76/836026576.db2.gz GYDKYSRJBFWDAT-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001267167548 836026567 /nfs/dbraw/zinc/02/65/67/836026567.db2.gz GYDKYSRJBFWDAT-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001267167548 836026559 /nfs/dbraw/zinc/02/65/59/836026559.db2.gz GYDKYSRJBFWDAT-MGPQQGTHSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[NH+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267241569 836032194 /nfs/dbraw/zinc/03/21/94/836032194.db2.gz CBBOFMMOYDXTAX-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[NH+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267241569 836032182 /nfs/dbraw/zinc/03/21/82/836032182.db2.gz CBBOFMMOYDXTAX-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241569 836032170 /nfs/dbraw/zinc/03/21/70/836032170.db2.gz CBBOFMMOYDXTAX-ZIAGYGMSSA-N 2 1 353.467 -0.293 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293615 836034615 /nfs/dbraw/zinc/03/46/15/836034615.db2.gz WAZSDYJSBIOWGW-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293615 836034602 /nfs/dbraw/zinc/03/46/02/836034602.db2.gz WAZSDYJSBIOWGW-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267293615 836034592 /nfs/dbraw/zinc/03/45/92/836034592.db2.gz WAZSDYJSBIOWGW-DJIMGWMZSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293616 836034531 /nfs/dbraw/zinc/03/45/31/836034531.db2.gz WAZSDYJSBIOWGW-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293616 836034521 /nfs/dbraw/zinc/03/45/21/836034521.db2.gz WAZSDYJSBIOWGW-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CC(=O)NCCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267293616 836034514 /nfs/dbraw/zinc/03/45/14/836034514.db2.gz WAZSDYJSBIOWGW-HYVNUMGLSA-N 2 1 354.495 -0.083 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267293667 836033854 /nfs/dbraw/zinc/03/38/54/836033854.db2.gz WSKGXQLNJGUPQA-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267293667 836033841 /nfs/dbraw/zinc/03/38/41/836033841.db2.gz WSKGXQLNJGUPQA-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293667 836033826 /nfs/dbraw/zinc/03/38/26/836033826.db2.gz WSKGXQLNJGUPQA-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267293668 836034147 /nfs/dbraw/zinc/03/41/47/836034147.db2.gz WSKGXQLNJGUPQA-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267293668 836034138 /nfs/dbraw/zinc/03/41/38/836034138.db2.gz WSKGXQLNJGUPQA-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267293668 836034125 /nfs/dbraw/zinc/03/41/25/836034125.db2.gz WSKGXQLNJGUPQA-MGPQQGTHSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001267294109 836034244 /nfs/dbraw/zinc/03/42/44/836034244.db2.gz DCQIQZZEKDKLEJ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001267294109 836034235 /nfs/dbraw/zinc/03/42/35/836034235.db2.gz DCQIQZZEKDKLEJ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001267294109 836034225 /nfs/dbraw/zinc/03/42/25/836034225.db2.gz DCQIQZZEKDKLEJ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001267294110 836034329 /nfs/dbraw/zinc/03/43/29/836034329.db2.gz DCQIQZZEKDKLEJ-MELADBBJSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001267294110 836034319 /nfs/dbraw/zinc/03/43/19/836034319.db2.gz DCQIQZZEKDKLEJ-MELADBBJSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001267294110 836034308 /nfs/dbraw/zinc/03/43/08/836034308.db2.gz DCQIQZZEKDKLEJ-MELADBBJSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2CC2)CC[NH+]1C ZINC001267325123 836035666 /nfs/dbraw/zinc/03/56/66/836035666.db2.gz CKTFTRSMTJOXND-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2CC2)CC[NH+]1C ZINC001267325123 836035651 /nfs/dbraw/zinc/03/56/51/836035651.db2.gz CKTFTRSMTJOXND-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)C(=O)NC(N)=O)C2CC2)CC[N@H+]1C ZINC001267325123 836035641 /nfs/dbraw/zinc/03/56/41/836035641.db2.gz CKTFTRSMTJOXND-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)C(=O)NC(N)=O)C2CC2)CC[N@@H+]1C ZINC001267325123 836035631 /nfs/dbraw/zinc/03/56/31/836035631.db2.gz CKTFTRSMTJOXND-FPMFFAJLSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2CC2)CC[NH+]1C ZINC001267325125 836036140 /nfs/dbraw/zinc/03/61/40/836036140.db2.gz CKTFTRSMTJOXND-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]([C@H](C)C(=O)NC(N)=O)C2CC2)CC[NH+]1C ZINC001267325125 836036132 /nfs/dbraw/zinc/03/61/32/836036132.db2.gz CKTFTRSMTJOXND-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)C(=O)NC(N)=O)C2CC2)CC[N@H+]1C ZINC001267325125 836036116 /nfs/dbraw/zinc/03/61/16/836036116.db2.gz CKTFTRSMTJOXND-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)C(=O)NC(N)=O)C2CC2)CC[N@@H+]1C ZINC001267325125 836036107 /nfs/dbraw/zinc/03/61/07/836036107.db2.gz CKTFTRSMTJOXND-KWCYVHTRSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)N2CCOCC2)C2CC2)CC[NH+]1C ZINC001267326502 836035859 /nfs/dbraw/zinc/03/58/59/836035859.db2.gz WYKCIHZLKFOFOR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)N2CCOCC2)C2CC2)CC[NH+]1C ZINC001267326502 836035844 /nfs/dbraw/zinc/03/58/44/836035844.db2.gz WYKCIHZLKFOFOR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001267326502 836035833 /nfs/dbraw/zinc/03/58/33/836035833.db2.gz WYKCIHZLKFOFOR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001267326502 836035820 /nfs/dbraw/zinc/03/58/20/836035820.db2.gz WYKCIHZLKFOFOR-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001267599233 836048158 /nfs/dbraw/zinc/04/81/58/836048158.db2.gz HYYXJAZMMRQETL-TZMCWYRMSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001267599233 836048147 /nfs/dbraw/zinc/04/81/47/836048147.db2.gz HYYXJAZMMRQETL-TZMCWYRMSA-N 2 1 353.467 -0.308 20 0 FBADMP COC[C@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267607314 836053063 /nfs/dbraw/zinc/05/30/63/836053063.db2.gz DLLHLMNBIDSBJY-BRWVUGGUSA-N 2 1 356.511 -0.590 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267805487 836074884 /nfs/dbraw/zinc/07/48/84/836074884.db2.gz GYKCQFLFCBAGIR-IJLUTSLNSA-N 2 1 350.423 -0.157 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267805488 836074698 /nfs/dbraw/zinc/07/46/98/836074698.db2.gz GYKCQFLFCBAGIR-QJPTWQEYSA-N 2 1 350.423 -0.157 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001267956021 836084125 /nfs/dbraw/zinc/08/41/25/836084125.db2.gz REFUWHVSIFQICI-MGPQQGTHSA-N 2 1 351.451 -0.541 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001268213471 836095968 /nfs/dbraw/zinc/09/59/68/836095968.db2.gz NOJIWUUPRSRDCV-MCIONIFRSA-N 2 1 355.483 -0.097 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001268213482 836095111 /nfs/dbraw/zinc/09/51/11/836095111.db2.gz NOJIWUUPRSRDCV-MGPQQGTHSA-N 2 1 355.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001268236778 836095837 /nfs/dbraw/zinc/09/58/37/836095837.db2.gz GWPJCOIQRUDDDV-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001268236778 836095828 /nfs/dbraw/zinc/09/58/28/836095828.db2.gz GWPJCOIQRUDDDV-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001268236778 836095819 /nfs/dbraw/zinc/09/58/19/836095819.db2.gz GWPJCOIQRUDDDV-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001268236778 836095810 /nfs/dbraw/zinc/09/58/10/836095810.db2.gz GWPJCOIQRUDDDV-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001268306293 836097341 /nfs/dbraw/zinc/09/73/41/836097341.db2.gz ALUSIBWBPBWFFJ-GRYCIOLGSA-N 2 1 368.400 -0.538 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001268306300 836096939 /nfs/dbraw/zinc/09/69/39/836096939.db2.gz ALUSIBWBPBWFFJ-IJLUTSLNSA-N 2 1 368.400 -0.538 20 0 FBADMP Cc1nnc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001268307107 836097924 /nfs/dbraw/zinc/09/79/24/836097924.db2.gz FQGSGLWMDOTRSI-ADEWGFFLSA-N 2 1 370.479 -0.808 20 0 FBADMP Cc1nnc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001268307108 836097027 /nfs/dbraw/zinc/09/70/27/836097027.db2.gz FQGSGLWMDOTRSI-YUSALJHKSA-N 2 1 370.479 -0.808 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001268308569 836096966 /nfs/dbraw/zinc/09/69/66/836096966.db2.gz QBPBDIPZUDTILH-FRRDWIJNSA-N 2 1 369.491 -0.121 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001268308576 836097802 /nfs/dbraw/zinc/09/78/02/836097802.db2.gz QBPBDIPZUDTILH-RWMBFGLXSA-N 2 1 369.491 -0.121 20 0 FBADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1C1CC1 ZINC001268308800 836097500 /nfs/dbraw/zinc/09/75/00/836097500.db2.gz RVQCSQDVKPABFH-BYCMXARLSA-N 2 1 350.467 -0.172 20 0 FBADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1C1CC1 ZINC001268308800 836097488 /nfs/dbraw/zinc/09/74/88/836097488.db2.gz RVQCSQDVKPABFH-BYCMXARLSA-N 2 1 350.467 -0.172 20 0 FBADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1C1CC1 ZINC001268308803 836097286 /nfs/dbraw/zinc/09/72/86/836097286.db2.gz RVQCSQDVKPABFH-KCPJHIHWSA-N 2 1 350.467 -0.172 20 0 FBADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1C1CC1 ZINC001268308803 836097280 /nfs/dbraw/zinc/09/72/80/836097280.db2.gz RVQCSQDVKPABFH-KCPJHIHWSA-N 2 1 350.467 -0.172 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)CC[N@H+]1C ZINC001268309069 836097564 /nfs/dbraw/zinc/09/75/64/836097564.db2.gz UTKYGPPWMVDOEI-HZSPNIEDSA-N 2 1 350.467 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)CC[N@@H+]1C ZINC001268309069 836097560 /nfs/dbraw/zinc/09/75/60/836097560.db2.gz UTKYGPPWMVDOEI-HZSPNIEDSA-N 2 1 350.467 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)CC[N@H+]1C ZINC001268309072 836098094 /nfs/dbraw/zinc/09/80/94/836098094.db2.gz UTKYGPPWMVDOEI-MELADBBJSA-N 2 1 350.467 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)CC[N@@H+]1C ZINC001268309072 836098083 /nfs/dbraw/zinc/09/80/83/836098083.db2.gz UTKYGPPWMVDOEI-MELADBBJSA-N 2 1 350.467 -0.021 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001268452192 836101654 /nfs/dbraw/zinc/10/16/54/836101654.db2.gz YBLUXAXZENLMDC-UONOGXRCSA-N 2 1 353.467 -0.293 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001268541672 836114551 /nfs/dbraw/zinc/11/45/51/836114551.db2.gz HFSRHIJMBIYGPK-OOPLNXAUSA-N 2 1 351.451 -0.470 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001268541673 836114225 /nfs/dbraw/zinc/11/42/25/836114225.db2.gz HFSRHIJMBIYGPK-OQOSRZTISA-N 2 1 351.451 -0.470 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001268690691 836121110 /nfs/dbraw/zinc/12/11/10/836121110.db2.gz XNTDIAIXDGFDQE-QJPTWQEYSA-N 2 1 350.423 -0.157 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCS(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC001269026098 836122557 /nfs/dbraw/zinc/12/25/57/836122557.db2.gz OZKIIJRJCRVNJA-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001269026450 836122743 /nfs/dbraw/zinc/12/27/43/836122743.db2.gz YDOVEFXTOYZLPB-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC(=O)NC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001269129272 836123647 /nfs/dbraw/zinc/12/36/47/836123647.db2.gz GASCEFHLYMDHMC-MRVWCRGKSA-N 2 1 351.451 -0.495 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)CN3CCCC3=O)CC2)CC[N@H+]1C ZINC001269415564 836125413 /nfs/dbraw/zinc/12/54/13/836125413.db2.gz FGOLGJMCMWFHJT-QLFBSQMISA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001269415795 836124873 /nfs/dbraw/zinc/12/48/73/836124873.db2.gz JRINMCMGKAKXMG-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001269415796 836125169 /nfs/dbraw/zinc/12/51/69/836125169.db2.gz JRINMCMGKAKXMG-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001269416301 836125291 /nfs/dbraw/zinc/12/52/91/836125291.db2.gz RQIVFKAIQCAOGH-FRRDWIJNSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001269416302 836124747 /nfs/dbraw/zinc/12/47/47/836124747.db2.gz RQIVFKAIQCAOGH-RWMBFGLXSA-N 2 1 353.467 -0.201 20 0 FBADMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)C(=O)NC(N)=O ZINC001269549611 836126069 /nfs/dbraw/zinc/12/60/69/836126069.db2.gz WRSLLNUPCAQPAB-JHJVBQTASA-N 2 1 353.467 -0.071 20 0 FBADMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)C(=O)NC(N)=O ZINC001269549612 836125993 /nfs/dbraw/zinc/12/59/93/836125993.db2.gz WRSLLNUPCAQPAB-YNEHKIRRSA-N 2 1 353.467 -0.071 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NC(N)=O)C3)C2)CC[NH+]1C ZINC001269733362 836127510 /nfs/dbraw/zinc/12/75/10/836127510.db2.gz YFYYXOCVKTUGJO-PBFPGSCMSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC(N)=O)C3)C2)CC[NH+]1C ZINC001269733362 836127509 /nfs/dbraw/zinc/12/75/09/836127509.db2.gz YFYYXOCVKTUGJO-PBFPGSCMSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NC(N)=O)C3)C2)CC[NH+]1C ZINC001269733363 836127454 /nfs/dbraw/zinc/12/74/54/836127454.db2.gz YFYYXOCVKTUGJO-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC(N)=O)C3)C2)CC[NH+]1C ZINC001269733363 836127450 /nfs/dbraw/zinc/12/74/50/836127450.db2.gz YFYYXOCVKTUGJO-XNJGSVPQSA-N 2 1 351.451 -0.554 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269985603 836148897 /nfs/dbraw/zinc/14/88/97/836148897.db2.gz KUIKZHPYNHWBPR-AAVRWANBSA-N 2 1 353.467 -0.201 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992275 836148877 /nfs/dbraw/zinc/14/88/77/836148877.db2.gz DXCMJGWORCODFU-KRWDZBQOSA-N 2 1 352.483 -0.396 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992276 836148960 /nfs/dbraw/zinc/14/89/60/836148960.db2.gz DXCMJGWORCODFU-QGZVFWFLSA-N 2 1 352.483 -0.396 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)CN(C)C(N)=[NH2+])CC2)C1 ZINC001269992377 836148702 /nfs/dbraw/zinc/14/87/02/836148702.db2.gz IUHRJNVROTZYPY-UHFFFAOYSA-N 2 1 352.483 -0.396 20 0 FBADMP NC(=O)C1CC[NH+](C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC001270075462 836158261 /nfs/dbraw/zinc/15/82/61/836158261.db2.gz OQTYVGNHVJXBIN-UHFFFAOYSA-N 2 1 352.479 -0.103 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001270155585 836168994 /nfs/dbraw/zinc/16/89/94/836168994.db2.gz OSCGHKQPRNDACG-MAUKXSAKSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001270155586 836168734 /nfs/dbraw/zinc/16/87/34/836168734.db2.gz OSCGHKQPRNDACG-YJBOKZPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@@H+](C)C1CCCC1)C2 ZINC001270165348 836170399 /nfs/dbraw/zinc/17/03/99/836170399.db2.gz HQOGBJALIGQLJI-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCN1CC2(CN(C(=O)C[N@@H+](C)C3CCCC3)C2)OCC1=O ZINC001270166666 836170295 /nfs/dbraw/zinc/17/02/95/836170295.db2.gz XRBSZXMDUVORAS-UHFFFAOYSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)C[NH+](CCO)CCO)(C1)CCC2 ZINC001270175218 836172055 /nfs/dbraw/zinc/17/20/55/836172055.db2.gz CVDHCYROYDWKOK-ZWKOTPCHSA-N 2 1 356.511 -0.614 20 0 FBADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175588 836171777 /nfs/dbraw/zinc/17/17/77/836171777.db2.gz HOVBYQCUPYUOHM-MQVJKMGUSA-N 2 1 359.467 -0.995 20 0 FBADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001270175630 836171825 /nfs/dbraw/zinc/17/18/25/836171825.db2.gz IUNDGADJVBXCMM-UHFFFAOYSA-N 2 1 368.503 -0.228 20 0 FBADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001270175630 836171822 /nfs/dbraw/zinc/17/18/22/836171822.db2.gz IUNDGADJVBXCMM-UHFFFAOYSA-N 2 1 368.503 -0.228 20 0 FBADMP CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001270175797 836172122 /nfs/dbraw/zinc/17/21/22/836172122.db2.gz MKWZJSMBXIXRNA-UHFFFAOYSA-N 2 1 356.511 -0.851 20 0 FBADMP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001270175797 836172120 /nfs/dbraw/zinc/17/21/20/836172120.db2.gz MKWZJSMBXIXRNA-UHFFFAOYSA-N 2 1 356.511 -0.851 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]2CC1 ZINC001270176139 836173741 /nfs/dbraw/zinc/17/37/41/836173741.db2.gz TUASPKYCQRJPGF-CALCHBBNSA-N 2 1 356.511 -0.995 20 0 FBADMP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]2CC1 ZINC001270176139 836173736 /nfs/dbraw/zinc/17/37/36/836173736.db2.gz TUASPKYCQRJPGF-CALCHBBNSA-N 2 1 356.511 -0.995 20 0 FBADMP Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)CN(CCO)CCO)C2 ZINC001270176289 836174208 /nfs/dbraw/zinc/17/42/08/836174208.db2.gz XBHCFFMOJSDHPY-CABCVRRESA-N 2 1 368.503 -0.229 20 0 FBADMP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CCO)CCO)C2 ZINC001270176289 836174203 /nfs/dbraw/zinc/17/42/03/836174203.db2.gz XBHCFFMOJSDHPY-CABCVRRESA-N 2 1 368.503 -0.229 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001270333422 836187335 /nfs/dbraw/zinc/18/73/35/836187335.db2.gz SQUUKBVXQOVXCN-CRAIPNDOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001270333425 836187033 /nfs/dbraw/zinc/18/70/33/836187033.db2.gz SQUUKBVXQOVXCN-MAUKXSAKSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001270333428 836187412 /nfs/dbraw/zinc/18/74/12/836187412.db2.gz SQUUKBVXQOVXCN-QAPCUYQASA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001270333431 836187372 /nfs/dbraw/zinc/18/73/72/836187372.db2.gz SQUUKBVXQOVXCN-YJBOKZPZSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001270333649 836187053 /nfs/dbraw/zinc/18/70/53/836187053.db2.gz UNPRTSZHAOZLEI-IAOVAPTHSA-N 2 1 358.433 -0.009 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001270333651 836187240 /nfs/dbraw/zinc/18/72/40/836187240.db2.gz UNPRTSZHAOZLEI-KBRIMQKVSA-N 2 1 358.433 -0.009 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001270490318 836206214 /nfs/dbraw/zinc/20/62/14/836206214.db2.gz LLVYIHYGRWTXFT-KBXCAEBGSA-N 2 1 350.463 -0.133 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001270490320 836205675 /nfs/dbraw/zinc/20/56/75/836205675.db2.gz LLVYIHYGRWTXFT-KDOFPFPSSA-N 2 1 350.463 -0.133 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001270490321 836206193 /nfs/dbraw/zinc/20/61/93/836206193.db2.gz LLVYIHYGRWTXFT-KSSFIOAISA-N 2 1 350.463 -0.133 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001270490322 836205659 /nfs/dbraw/zinc/20/56/59/836205659.db2.gz LLVYIHYGRWTXFT-RDTXWAMCSA-N 2 1 350.463 -0.133 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001270491960 836205469 /nfs/dbraw/zinc/20/54/69/836205469.db2.gz ZOAPABOUUCZOJV-CRAIPNDOSA-N 2 1 352.479 -0.423 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001270491961 836205743 /nfs/dbraw/zinc/20/57/43/836205743.db2.gz ZOAPABOUUCZOJV-MAUKXSAKSA-N 2 1 352.479 -0.423 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001270491962 836206012 /nfs/dbraw/zinc/20/60/12/836206012.db2.gz ZOAPABOUUCZOJV-QAPCUYQASA-N 2 1 352.479 -0.423 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001270491963 836206262 /nfs/dbraw/zinc/20/62/62/836206262.db2.gz ZOAPABOUUCZOJV-YJBOKZPZSA-N 2 1 352.479 -0.423 20 0 FBADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001270856458 836241403 /nfs/dbraw/zinc/24/14/03/836241403.db2.gz DGKAUNSNLJSQOV-HZPDHXFCSA-N 2 1 351.495 -0.613 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1=O ZINC001270857219 836241526 /nfs/dbraw/zinc/24/15/26/836241526.db2.gz QTIODBNFVAWXAW-GOSISDBHSA-N 2 1 351.495 -0.754 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1=O ZINC001270857220 836241696 /nfs/dbraw/zinc/24/16/96/836241696.db2.gz QTIODBNFVAWXAW-SFHVURJKSA-N 2 1 351.495 -0.754 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)CN2CC[NH+](C)CC2)C1=O ZINC001270857771 836241383 /nfs/dbraw/zinc/24/13/83/836241383.db2.gz XNYDAZSFLVMDQG-GOSISDBHSA-N 2 1 351.495 -0.611 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)CN2CC[NH+](C)CC2)C1=O ZINC001270857772 836241832 /nfs/dbraw/zinc/24/18/32/836241832.db2.gz XNYDAZSFLVMDQG-SFHVURJKSA-N 2 1 351.495 -0.611 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270968005 836255765 /nfs/dbraw/zinc/25/57/65/836255765.db2.gz NOBCWVBJTWPGKK-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270968006 836256189 /nfs/dbraw/zinc/25/61/89/836256189.db2.gz NOBCWVBJTWPGKK-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CCOCC2)CC[N@H+]1C ZINC001271038533 836258749 /nfs/dbraw/zinc/25/87/49/836258749.db2.gz NWEBVPDXWKBZQS-OWCLPIDISA-N 2 1 357.495 -0.021 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)OCC1=O ZINC001271140663 836283348 /nfs/dbraw/zinc/28/33/48/836283348.db2.gz VOEJJSHSOLFWTI-CRAIPNDOSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)OCC1=O ZINC001271140664 836283197 /nfs/dbraw/zinc/28/31/97/836283197.db2.gz VOEJJSHSOLFWTI-MAUKXSAKSA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)OCC1=O ZINC001271140665 836282715 /nfs/dbraw/zinc/28/27/15/836282715.db2.gz VOEJJSHSOLFWTI-QAPCUYQASA-N 2 1 352.479 -0.138 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)OCC1=O ZINC001271140666 836283682 /nfs/dbraw/zinc/28/36/82/836283682.db2.gz VOEJJSHSOLFWTI-YJBOKZPZSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001271145269 836286400 /nfs/dbraw/zinc/28/64/00/836286400.db2.gz KWLAEFZJIWCLAX-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001271145269 836286394 /nfs/dbraw/zinc/28/63/94/836286394.db2.gz KWLAEFZJIWCLAX-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001271145269 836286388 /nfs/dbraw/zinc/28/63/88/836286388.db2.gz KWLAEFZJIWCLAX-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001271145269 836286382 /nfs/dbraw/zinc/28/63/82/836286382.db2.gz KWLAEFZJIWCLAX-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001271145270 836287400 /nfs/dbraw/zinc/28/74/00/836287400.db2.gz KWLAEFZJIWCLAX-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001271145270 836287392 /nfs/dbraw/zinc/28/73/92/836287392.db2.gz KWLAEFZJIWCLAX-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001271145270 836287382 /nfs/dbraw/zinc/28/73/82/836287382.db2.gz KWLAEFZJIWCLAX-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001271145270 836287371 /nfs/dbraw/zinc/28/73/71/836287371.db2.gz KWLAEFZJIWCLAX-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001271145579 836286981 /nfs/dbraw/zinc/28/69/81/836286981.db2.gz NKOGRJDSNKNXDE-DDUZABMNSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001271145579 836286971 /nfs/dbraw/zinc/28/69/71/836286971.db2.gz NKOGRJDSNKNXDE-DDUZABMNSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001271145579 836286961 /nfs/dbraw/zinc/28/69/61/836286961.db2.gz NKOGRJDSNKNXDE-DDUZABMNSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001271145580 836285868 /nfs/dbraw/zinc/28/58/68/836285868.db2.gz NKOGRJDSNKNXDE-SIIHOXLZSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001271145580 836285851 /nfs/dbraw/zinc/28/58/51/836285851.db2.gz NKOGRJDSNKNXDE-SIIHOXLZSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001271145580 836285841 /nfs/dbraw/zinc/28/58/41/836285841.db2.gz NKOGRJDSNKNXDE-SIIHOXLZSA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001271289790 836337452 /nfs/dbraw/zinc/33/74/52/836337452.db2.gz SUQCBRAQXKMGGC-QLFBSQMISA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001271289790 836337444 /nfs/dbraw/zinc/33/74/44/836337444.db2.gz SUQCBRAQXKMGGC-QLFBSQMISA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001271289791 836338478 /nfs/dbraw/zinc/33/84/78/836338478.db2.gz SUQCBRAQXKMGGC-RBSFLKMASA-N 2 1 352.479 -0.594 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001271289791 836338465 /nfs/dbraw/zinc/33/84/65/836338465.db2.gz SUQCBRAQXKMGGC-RBSFLKMASA-N 2 1 352.479 -0.594 20 0 FBADMP CC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001271652128 836380630 /nfs/dbraw/zinc/38/06/30/836380630.db2.gz IYOGZUMIYJFLQH-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001271652129 836380516 /nfs/dbraw/zinc/38/05/16/836380516.db2.gz IYOGZUMIYJFLQH-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271653527 836381644 /nfs/dbraw/zinc/38/16/44/836381644.db2.gz UEIOCAYIXMVROJ-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271653529 836381690 /nfs/dbraw/zinc/38/16/90/836381690.db2.gz UEIOCAYIXMVROJ-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001271657663 836381316 /nfs/dbraw/zinc/38/13/16/836381316.db2.gz BLJVCXAWOBQIAL-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001271657665 836381903 /nfs/dbraw/zinc/38/19/03/836381903.db2.gz BLJVCXAWOBQIAL-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1CC2(CN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001271658430 836381121 /nfs/dbraw/zinc/38/11/21/836381121.db2.gz PKHZXIDNVDJQQD-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1CC2(CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001271658431 836381739 /nfs/dbraw/zinc/38/17/39/836381739.db2.gz PKHZXIDNVDJQQD-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001271836706 836400699 /nfs/dbraw/zinc/40/06/99/836400699.db2.gz BZMDZBVTFSVLMD-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001271836707 836400808 /nfs/dbraw/zinc/40/08/08/836400808.db2.gz BZMDZBVTFSVLMD-OAGGEKHMSA-N 2 1 354.495 -0.084 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCn3cncn3)C2)CC[NH+]1C ZINC001271964359 836408503 /nfs/dbraw/zinc/40/85/03/836408503.db2.gz CEQOZYNZNYOZPY-BFYDXBDKSA-N 2 1 350.467 -0.439 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCn3cncn3)C2)CC[NH+]1C ZINC001271964359 836408502 /nfs/dbraw/zinc/40/85/02/836408502.db2.gz CEQOZYNZNYOZPY-BFYDXBDKSA-N 2 1 350.467 -0.439 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCn3cncn3)C2)CC[N@H+]1C ZINC001271964359 836408499 /nfs/dbraw/zinc/40/84/99/836408499.db2.gz CEQOZYNZNYOZPY-BFYDXBDKSA-N 2 1 350.467 -0.439 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCn3cncn3)C2)CC[NH+]1C ZINC001271964361 836408626 /nfs/dbraw/zinc/40/86/26/836408626.db2.gz CEQOZYNZNYOZPY-INMHGKMJSA-N 2 1 350.467 -0.439 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCn3cncn3)C2)CC[NH+]1C ZINC001271964361 836408620 /nfs/dbraw/zinc/40/86/20/836408620.db2.gz CEQOZYNZNYOZPY-INMHGKMJSA-N 2 1 350.467 -0.439 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCn3cncn3)C2)CC[N@H+]1C ZINC001271964361 836408615 /nfs/dbraw/zinc/40/86/15/836408615.db2.gz CEQOZYNZNYOZPY-INMHGKMJSA-N 2 1 350.467 -0.439 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272020014 836420046 /nfs/dbraw/zinc/42/00/46/836420046.db2.gz FAHAUTNUUJDIBV-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272020014 836420043 /nfs/dbraw/zinc/42/00/43/836420043.db2.gz FAHAUTNUUJDIBV-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001272020014 836420039 /nfs/dbraw/zinc/42/00/39/836420039.db2.gz FAHAUTNUUJDIBV-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001272020014 836420036 /nfs/dbraw/zinc/42/00/36/836420036.db2.gz FAHAUTNUUJDIBV-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001272020029 836419708 /nfs/dbraw/zinc/41/97/08/836419708.db2.gz FINGVVDUSCOVRE-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001272020029 836419702 /nfs/dbraw/zinc/41/97/02/836419702.db2.gz FINGVVDUSCOVRE-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC001272020029 836419693 /nfs/dbraw/zinc/41/96/93/836419693.db2.gz FINGVVDUSCOVRE-OWCLPIDISA-N 2 1 354.495 -0.300 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001272021322 836421565 /nfs/dbraw/zinc/42/15/65/836421565.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001272021322 836421560 /nfs/dbraw/zinc/42/15/60/836421560.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001272021322 836421555 /nfs/dbraw/zinc/42/15/55/836421555.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001272021322 836421553 /nfs/dbraw/zinc/42/15/53/836421553.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001272021322 836421550 /nfs/dbraw/zinc/42/15/50/836421550.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 1 353.467 -0.295 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022193 836422665 /nfs/dbraw/zinc/42/26/65/836422665.db2.gz OQBDRFUTLRLLFO-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001272022193 836422660 /nfs/dbraw/zinc/42/26/60/836422660.db2.gz OQBDRFUTLRLLFO-CABCVRRESA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022194 836422331 /nfs/dbraw/zinc/42/23/31/836422331.db2.gz OQBDRFUTLRLLFO-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001272022194 836422325 /nfs/dbraw/zinc/42/23/25/836422325.db2.gz OQBDRFUTLRLLFO-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022195 836422592 /nfs/dbraw/zinc/42/25/92/836422592.db2.gz OQBDRFUTLRLLFO-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001272022195 836422591 /nfs/dbraw/zinc/42/25/91/836422591.db2.gz OQBDRFUTLRLLFO-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022196 836422506 /nfs/dbraw/zinc/42/25/06/836422506.db2.gz OQBDRFUTLRLLFO-LSDHHAIUSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001272022196 836422503 /nfs/dbraw/zinc/42/25/03/836422503.db2.gz OQBDRFUTLRLLFO-LSDHHAIUSA-N 2 1 352.479 -0.377 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272023115 836422838 /nfs/dbraw/zinc/42/28/38/836422838.db2.gz VBBIOHNFRQLVLK-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272023115 836422830 /nfs/dbraw/zinc/42/28/30/836422830.db2.gz VBBIOHNFRQLVLK-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272023118 836422422 /nfs/dbraw/zinc/42/24/22/836422422.db2.gz VBBIOHNFRQLVLK-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272023118 836422418 /nfs/dbraw/zinc/42/24/18/836422418.db2.gz VBBIOHNFRQLVLK-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001272169240 836496031 /nfs/dbraw/zinc/49/60/31/836496031.db2.gz QYZGEOBLSMJQCZ-GDBMZVCRSA-N 2 1 350.463 -0.364 20 0 FBADMP CCn1nnc(C)c1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272169378 836495915 /nfs/dbraw/zinc/49/59/15/836495915.db2.gz UPLHSXUKUITRQC-HUUCEWRRSA-N 2 1 352.483 -0.143 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001272413374 836982732 /nfs/dbraw/zinc/98/27/32/836982732.db2.gz BYBOGOHJOFKPAG-GRYCIOLGSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001272413375 836982779 /nfs/dbraw/zinc/98/27/79/836982779.db2.gz BYBOGOHJOFKPAG-IJLUTSLNSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001272413408 836982477 /nfs/dbraw/zinc/98/24/77/836982477.db2.gz COMWDCYCNAXABK-FRRDWIJNSA-N 2 1 353.471 -0.665 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001272413408 836982466 /nfs/dbraw/zinc/98/24/66/836982466.db2.gz COMWDCYCNAXABK-FRRDWIJNSA-N 2 1 353.471 -0.665 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001272413409 836981995 /nfs/dbraw/zinc/98/19/95/836981995.db2.gz COMWDCYCNAXABK-JHJVBQTASA-N 2 1 353.471 -0.665 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001272413409 836981984 /nfs/dbraw/zinc/98/19/84/836981984.db2.gz COMWDCYCNAXABK-JHJVBQTASA-N 2 1 353.471 -0.665 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C(C)(C)C)CC[N@H+]1C ZINC001272413700 836982082 /nfs/dbraw/zinc/98/20/82/836982082.db2.gz HKBQESLDDPGGNK-HZSPNIEDSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C(C)(C)C)CC[N@@H+]1C ZINC001272413700 836982073 /nfs/dbraw/zinc/98/20/73/836982073.db2.gz HKBQESLDDPGGNK-HZSPNIEDSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C(C)(C)C)CC[N@H+]1C ZINC001272413701 836982446 /nfs/dbraw/zinc/98/24/46/836982446.db2.gz HKBQESLDDPGGNK-MGPQQGTHSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C(C)(C)C)CC[N@@H+]1C ZINC001272413701 836982438 /nfs/dbraw/zinc/98/24/38/836982438.db2.gz HKBQESLDDPGGNK-MGPQQGTHSA-N 2 1 352.483 -0.060 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001272415456 836983316 /nfs/dbraw/zinc/98/33/16/836983316.db2.gz XUIWJQFQMQKBQN-FRRDWIJNSA-N 2 1 353.423 -0.672 20 0 FBADMP Cc1cc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001272415457 836983722 /nfs/dbraw/zinc/98/37/22/836983722.db2.gz XUIWJQFQMQKBQN-JHJVBQTASA-N 2 1 353.423 -0.672 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001272415636 836983705 /nfs/dbraw/zinc/98/37/05/836983705.db2.gz ZINPXXCCOIVTSR-GRYCIOLGSA-N 2 1 360.409 -0.550 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001272415636 836983696 /nfs/dbraw/zinc/98/36/96/836983696.db2.gz ZINPXXCCOIVTSR-GRYCIOLGSA-N 2 1 360.409 -0.550 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001272415668 836983637 /nfs/dbraw/zinc/98/36/37/836983637.db2.gz ZINPXXCCOIVTSR-IJLUTSLNSA-N 2 1 360.409 -0.550 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001272415668 836983633 /nfs/dbraw/zinc/98/36/33/836983633.db2.gz ZINPXXCCOIVTSR-IJLUTSLNSA-N 2 1 360.409 -0.550 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001272425049 836988757 /nfs/dbraw/zinc/98/87/57/836988757.db2.gz GYBIVJNDYKHSBH-QLFBSQMISA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001272425050 836988488 /nfs/dbraw/zinc/98/84/88/836988488.db2.gz GYBIVJNDYKHSBH-SOUVJXGZSA-N 2 1 356.511 -0.054 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2noc3c2COCC3)CC[N@H+]1C ZINC001272425203 836988596 /nfs/dbraw/zinc/98/85/96/836988596.db2.gz JERPJNJFLXDMSZ-FRRDWIJNSA-N 2 1 352.435 -0.346 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2noc3c2COCC3)CC[N@@H+]1C ZINC001272425203 836988589 /nfs/dbraw/zinc/98/85/89/836988589.db2.gz JERPJNJFLXDMSZ-FRRDWIJNSA-N 2 1 352.435 -0.346 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2noc3c2COCC3)CC[N@H+]1C ZINC001272425204 836988402 /nfs/dbraw/zinc/98/84/02/836988402.db2.gz JERPJNJFLXDMSZ-JHJVBQTASA-N 2 1 352.435 -0.346 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2noc3c2COCC3)CC[N@@H+]1C ZINC001272425204 836988399 /nfs/dbraw/zinc/98/83/99/836988399.db2.gz JERPJNJFLXDMSZ-JHJVBQTASA-N 2 1 352.435 -0.346 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001272425471 836988266 /nfs/dbraw/zinc/98/82/66/836988266.db2.gz MXOYPQKKWZFEHH-HRCADAONSA-N 2 1 354.495 -0.158 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001272425472 836989180 /nfs/dbraw/zinc/98/91/80/836989180.db2.gz MXOYPQKKWZFEHH-OWCLPIDISA-N 2 1 354.495 -0.158 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1C ZINC001272426071 836988700 /nfs/dbraw/zinc/98/87/00/836988700.db2.gz QRNOEQDXDKTELE-BPLDGKMQSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1C ZINC001272426071 836988690 /nfs/dbraw/zinc/98/86/90/836988690.db2.gz QRNOEQDXDKTELE-BPLDGKMQSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1C ZINC001272426072 836988206 /nfs/dbraw/zinc/98/82/06/836988206.db2.gz QRNOEQDXDKTELE-VHDGCEQUSA-N 2 1 352.483 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1C ZINC001272426072 836988196 /nfs/dbraw/zinc/98/81/96/836988196.db2.gz QRNOEQDXDKTELE-VHDGCEQUSA-N 2 1 352.483 -0.060 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(OC)nn2)CC[N@H+]1C ZINC001272426998 836988531 /nfs/dbraw/zinc/98/85/31/836988531.db2.gz YKZGAMXDAOSAAW-QLFBSQMISA-N 2 1 351.451 -0.218 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(OC)nn2)CC[N@H+]1C ZINC001272426999 836988355 /nfs/dbraw/zinc/98/83/55/836988355.db2.gz YKZGAMXDAOSAAW-SOUVJXGZSA-N 2 1 351.451 -0.218 20 0 FBADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001272820415 837370169 /nfs/dbraw/zinc/37/01/69/837370169.db2.gz HMPQVMIPAZAULC-HNNXBMFYSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001272820416 837371273 /nfs/dbraw/zinc/37/12/73/837371273.db2.gz HMPQVMIPAZAULC-OAHLLOKOSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001272822327 837370753 /nfs/dbraw/zinc/37/07/53/837370753.db2.gz XJIONTYLRIWSIC-HNNXBMFYSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001272822329 837370241 /nfs/dbraw/zinc/37/02/41/837370241.db2.gz XJIONTYLRIWSIC-OAHLLOKOSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830340 837388737 /nfs/dbraw/zinc/38/87/37/837388737.db2.gz HEDBANJVJFCCMW-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830342 837387850 /nfs/dbraw/zinc/38/78/50/837387850.db2.gz HEDBANJVJFCCMW-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832527 837391270 /nfs/dbraw/zinc/39/12/70/837391270.db2.gz WIAFVOOJCFHRNN-HNNXBMFYSA-N 2 1 352.479 -0.138 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832528 837391201 /nfs/dbraw/zinc/39/12/01/837391201.db2.gz WIAFVOOJCFHRNN-OAHLLOKOSA-N 2 1 352.479 -0.138 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001272866976 837402046 /nfs/dbraw/zinc/40/20/46/837402046.db2.gz AWEAHRBDFLHLCL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001272866976 837402041 /nfs/dbraw/zinc/40/20/41/837402041.db2.gz AWEAHRBDFLHLCL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH+](C)CC1 ZINC001272868663 837402120 /nfs/dbraw/zinc/40/21/20/837402120.db2.gz VEIZCSNHYSKFQR-ALOPSCKCSA-N 2 1 354.495 -0.034 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128019 837687838 /nfs/dbraw/zinc/68/78/38/837687838.db2.gz ISCYTGUWLZOFTI-CRAIPNDOSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128020 837688412 /nfs/dbraw/zinc/68/84/12/837688412.db2.gz ISCYTGUWLZOFTI-MAUKXSAKSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128021 837688224 /nfs/dbraw/zinc/68/82/24/837688224.db2.gz ISCYTGUWLZOFTI-QAPCUYQASA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128022 837688660 /nfs/dbraw/zinc/68/86/60/837688660.db2.gz ISCYTGUWLZOFTI-YJBOKZPZSA-N 2 1 351.495 -0.755 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273128657 837689531 /nfs/dbraw/zinc/68/95/31/837689531.db2.gz MXVNOAJFEBWKFG-BZUAXINKSA-N 2 1 351.495 -0.614 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273128658 837689728 /nfs/dbraw/zinc/68/97/28/837689728.db2.gz MXVNOAJFEBWKFG-OAGGEKHMSA-N 2 1 351.495 -0.614 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273129584 837689993 /nfs/dbraw/zinc/68/99/93/837689993.db2.gz UBDGWFVMNYPXSU-CRAIPNDOSA-N 2 1 351.495 -0.613 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273129586 837689255 /nfs/dbraw/zinc/68/92/55/837689255.db2.gz UBDGWFVMNYPXSU-MAUKXSAKSA-N 2 1 351.495 -0.613 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273129589 837690095 /nfs/dbraw/zinc/69/00/95/837690095.db2.gz UBDGWFVMNYPXSU-QAPCUYQASA-N 2 1 351.495 -0.613 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273129592 837689774 /nfs/dbraw/zinc/68/97/74/837689774.db2.gz UBDGWFVMNYPXSU-YJBOKZPZSA-N 2 1 351.495 -0.613 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001273209958 838928730 /nfs/dbraw/zinc/92/87/30/838928730.db2.gz JAYSVWLHQRTXMM-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001273209958 838928720 /nfs/dbraw/zinc/92/87/20/838928720.db2.gz JAYSVWLHQRTXMM-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273209958 838928709 /nfs/dbraw/zinc/92/87/09/838928709.db2.gz JAYSVWLHQRTXMM-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273209958 838928700 /nfs/dbraw/zinc/92/87/00/838928700.db2.gz JAYSVWLHQRTXMM-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001273209959 838929341 /nfs/dbraw/zinc/92/93/41/838929341.db2.gz JAYSVWLHQRTXMM-XHSDSOJGSA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001273209959 838929338 /nfs/dbraw/zinc/92/93/38/838929338.db2.gz JAYSVWLHQRTXMM-XHSDSOJGSA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273209959 838929331 /nfs/dbraw/zinc/92/93/31/838929331.db2.gz JAYSVWLHQRTXMM-XHSDSOJGSA-N 2 1 352.479 -0.424 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273209959 838929320 /nfs/dbraw/zinc/92/93/20/838929320.db2.gz JAYSVWLHQRTXMM-XHSDSOJGSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273218267 839082058 /nfs/dbraw/zinc/08/20/58/839082058.db2.gz RVZKLPZAUUZHLZ-AEFFLSMTSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273218267 839082050 /nfs/dbraw/zinc/08/20/50/839082050.db2.gz RVZKLPZAUUZHLZ-AEFFLSMTSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273218268 839082085 /nfs/dbraw/zinc/08/20/85/839082085.db2.gz RVZKLPZAUUZHLZ-FUHWJXTLSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273218268 839082077 /nfs/dbraw/zinc/08/20/77/839082077.db2.gz RVZKLPZAUUZHLZ-FUHWJXTLSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273218269 839081477 /nfs/dbraw/zinc/08/14/77/839081477.db2.gz RVZKLPZAUUZHLZ-SJLPKXTDSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273218269 839081471 /nfs/dbraw/zinc/08/14/71/839081471.db2.gz RVZKLPZAUUZHLZ-SJLPKXTDSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273218270 839081255 /nfs/dbraw/zinc/08/12/55/839081255.db2.gz RVZKLPZAUUZHLZ-WMZOPIPTSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273218270 839081248 /nfs/dbraw/zinc/08/12/48/839081248.db2.gz RVZKLPZAUUZHLZ-WMZOPIPTSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+]1CCN(CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001273238965 839116144 /nfs/dbraw/zinc/11/61/44/839116144.db2.gz QJFPXFOANHYORW-UHFFFAOYSA-N 2 1 351.495 -0.578 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001273259681 839139244 /nfs/dbraw/zinc/13/92/44/839139244.db2.gz ARELCQZMIZGZEG-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001273259682 839138453 /nfs/dbraw/zinc/13/84/53/839138453.db2.gz ARELCQZMIZGZEG-VNQPRFMTSA-N 2 1 352.479 -0.330 20 0 FBADMP C[N@H+]1CCO[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273311190 839172259 /nfs/dbraw/zinc/17/22/59/839172259.db2.gz RZKNEIZUJAWQBV-GOSISDBHSA-N 2 1 352.479 -0.103 20 0 FBADMP C[N@@H+]1CCO[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273311190 839172253 /nfs/dbraw/zinc/17/22/53/839172253.db2.gz RZKNEIZUJAWQBV-GOSISDBHSA-N 2 1 352.479 -0.103 20 0 FBADMP C[N@H+]1CCO[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273311191 839172016 /nfs/dbraw/zinc/17/20/16/839172016.db2.gz RZKNEIZUJAWQBV-SFHVURJKSA-N 2 1 352.479 -0.103 20 0 FBADMP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273311191 839172013 /nfs/dbraw/zinc/17/20/13/839172013.db2.gz RZKNEIZUJAWQBV-SFHVURJKSA-N 2 1 352.479 -0.103 20 0 FBADMP CC[N@@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001273354271 839206706 /nfs/dbraw/zinc/20/67/06/839206706.db2.gz OTWCSEKSBILEGX-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CC[N@@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354272 839207198 /nfs/dbraw/zinc/20/71/98/839207198.db2.gz OTWCSEKSBILEGX-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001273357775 839210702 /nfs/dbraw/zinc/21/07/02/839210702.db2.gz PTSHLHTXMQCQTF-CABCVRRESA-N 2 1 352.479 -0.641 20 0 FBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001273357776 839210155 /nfs/dbraw/zinc/21/01/55/839210155.db2.gz PTSHLHTXMQCQTF-GJZGRUSLSA-N 2 1 352.479 -0.641 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001273357777 839210556 /nfs/dbraw/zinc/21/05/56/839210556.db2.gz PTSHLHTXMQCQTF-HUUCEWRRSA-N 2 1 352.479 -0.641 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001273357779 839211893 /nfs/dbraw/zinc/21/18/93/839211893.db2.gz PTSHLHTXMQCQTF-LSDHHAIUSA-N 2 1 352.479 -0.641 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001273357796 839210793 /nfs/dbraw/zinc/21/07/93/839210793.db2.gz QEUXNZPIVIMCSU-HNNXBMFYSA-N 2 1 352.479 -0.544 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001273357797 839210530 /nfs/dbraw/zinc/21/05/30/839210530.db2.gz QEUXNZPIVIMCSU-OAHLLOKOSA-N 2 1 352.479 -0.544 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273357952 839210306 /nfs/dbraw/zinc/21/03/06/839210306.db2.gz SWULFJFHYGQAGA-CRAIPNDOSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273357953 839211154 /nfs/dbraw/zinc/21/11/54/839211154.db2.gz SWULFJFHYGQAGA-MAUKXSAKSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273357954 839211209 /nfs/dbraw/zinc/21/12/09/839211209.db2.gz SWULFJFHYGQAGA-QAPCUYQASA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273357955 839211811 /nfs/dbraw/zinc/21/18/11/839211811.db2.gz SWULFJFHYGQAGA-YJBOKZPZSA-N 2 1 352.479 -0.402 20 0 FBADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)CC2)C1=O ZINC001273361996 839214922 /nfs/dbraw/zinc/21/49/22/839214922.db2.gz AMOMTDMECMRVAW-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001273363577 839216070 /nfs/dbraw/zinc/21/60/70/839216070.db2.gz XTHHXHBFNYEBFE-MPGHIAIKSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001273363579 839216337 /nfs/dbraw/zinc/21/63/37/839216337.db2.gz XTHHXHBFNYEBFE-RLFYNMQTSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001273363662 839216496 /nfs/dbraw/zinc/21/64/96/839216496.db2.gz ZAJPHHMTNKNYCJ-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381413 839224025 /nfs/dbraw/zinc/22/40/25/839224025.db2.gz FUKJJSFAEMKSQT-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381418 839224342 /nfs/dbraw/zinc/22/43/42/839224342.db2.gz FUKJJSFAEMKSQT-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001273381771 839223943 /nfs/dbraw/zinc/22/39/43/839223943.db2.gz IUAWMJODERVZRA-HZSPNIEDSA-N 2 1 355.483 -0.001 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001273381773 839224550 /nfs/dbraw/zinc/22/45/50/839224550.db2.gz IUAWMJODERVZRA-MELADBBJSA-N 2 1 355.483 -0.001 20 0 FBADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273385581 839225483 /nfs/dbraw/zinc/22/54/83/839225483.db2.gz RYUSEBHUUZRNEH-MAUKXSAKSA-N 2 1 352.479 -0.139 20 0 FBADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273385584 839225721 /nfs/dbraw/zinc/22/57/21/839225721.db2.gz RYUSEBHUUZRNEH-YJBOKZPZSA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403309 839233523 /nfs/dbraw/zinc/23/35/23/839233523.db2.gz CXDYIBGPOQXDMT-AWEZNQCLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403310 839233288 /nfs/dbraw/zinc/23/32/88/839233288.db2.gz CXDYIBGPOQXDMT-CQSZACIVSA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001273404426 839232895 /nfs/dbraw/zinc/23/28/95/839232895.db2.gz XQQOALCZXAVBOA-AWEZNQCLSA-N 2 1 352.479 -0.139 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001273404428 839232997 /nfs/dbraw/zinc/23/29/97/839232997.db2.gz XQQOALCZXAVBOA-CQSZACIVSA-N 2 1 352.479 -0.139 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273514821 840515277 /nfs/dbraw/zinc/51/52/77/840515277.db2.gz MGMDPJLEHSJYQX-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273514821 840515268 /nfs/dbraw/zinc/51/52/68/840515268.db2.gz MGMDPJLEHSJYQX-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001273514821 840515261 /nfs/dbraw/zinc/51/52/61/840515261.db2.gz MGMDPJLEHSJYQX-ZIAGYGMSSA-N 2 1 355.483 -0.047 20 0 FBADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273666302 841090513 /nfs/dbraw/zinc/09/05/13/841090513.db2.gz JXTGMIKOYJZDRT-HNNXBMFYSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273666303 841090140 /nfs/dbraw/zinc/09/01/40/841090140.db2.gz JXTGMIKOYJZDRT-OAHLLOKOSA-N 2 1 352.479 -0.092 20 0 FBADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001273666865 841093574 /nfs/dbraw/zinc/09/35/74/841093574.db2.gz VGHHGDIIOUNESK-UONOGXRCSA-N 2 1 351.451 -0.638 20 0 FBADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001273886697 841710061 /nfs/dbraw/zinc/71/00/61/841710061.db2.gz XLBMYANJVQLGRC-CKEIUWERSA-N 2 1 352.435 -0.535 20 0 FBADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001273886698 841709524 /nfs/dbraw/zinc/70/95/24/841709524.db2.gz XLBMYANJVQLGRC-CPUCHLNUSA-N 2 1 352.435 -0.535 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCS(C)(=O)=O)CCOCC2)CC[N@H+]1C ZINC001273974372 841771473 /nfs/dbraw/zinc/77/14/73/841771473.db2.gz FYYGSOCVLAXDSY-ZIAGYGMSSA-N 2 1 361.508 -0.374 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001274036422 841791585 /nfs/dbraw/zinc/79/15/85/841791585.db2.gz NRNPIXXVXVUSAE-HYLRALAJSA-N 2 1 353.467 -0.176 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001274036424 841791281 /nfs/dbraw/zinc/79/12/81/841791281.db2.gz NRNPIXXVXVUSAE-LAYDCRAFSA-N 2 1 353.467 -0.176 20 0 FBADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001274202553 841812933 /nfs/dbraw/zinc/81/29/33/841812933.db2.gz FRQMEKJJBBQTHS-UHFFFAOYSA-N 2 1 352.479 -0.544 20 0 FBADMP CC[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001274520289 841855123 /nfs/dbraw/zinc/85/51/23/841855123.db2.gz HMVUFGLFCNMUPK-RRFJBIMHSA-N 2 1 354.495 -0.076 20 0 FBADMP CC[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001274520291 841855352 /nfs/dbraw/zinc/85/53/52/841855352.db2.gz HMVUFGLFCNMUPK-SOUVJXGZSA-N 2 1 354.495 -0.076 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCn3cncn3)CC2)CC[N@H+]1C ZINC001274520323 841855381 /nfs/dbraw/zinc/85/53/81/841855381.db2.gz IMJMFVKNHCOFSP-HUUCEWRRSA-N 2 1 350.467 -0.439 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001274520671 841855174 /nfs/dbraw/zinc/85/51/74/841855174.db2.gz NQTVNTXTWRJQQH-QLFBSQMISA-N 2 1 354.495 -0.206 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001274520673 841854957 /nfs/dbraw/zinc/85/49/57/841854957.db2.gz NQTVNTXTWRJQQH-SOUVJXGZSA-N 2 1 354.495 -0.206 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274574535 841859800 /nfs/dbraw/zinc/85/98/00/841859800.db2.gz BNTBSJIHWMJBFE-DDUZABMNSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274574535 841859792 /nfs/dbraw/zinc/85/97/92/841859792.db2.gz BNTBSJIHWMJBFE-DDUZABMNSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274574537 841860026 /nfs/dbraw/zinc/86/00/26/841860026.db2.gz BNTBSJIHWMJBFE-QIIPPGSGSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274574537 841860018 /nfs/dbraw/zinc/86/00/18/841860018.db2.gz BNTBSJIHWMJBFE-QIIPPGSGSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274575718 841861650 /nfs/dbraw/zinc/86/16/50/841861650.db2.gz RIXOWOJLUTVNQX-CABCVRRESA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274575718 841861645 /nfs/dbraw/zinc/86/16/45/841861645.db2.gz RIXOWOJLUTVNQX-CABCVRRESA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274575720 841861112 /nfs/dbraw/zinc/86/11/12/841861112.db2.gz RIXOWOJLUTVNQX-GJZGRUSLSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274575720 841861106 /nfs/dbraw/zinc/86/11/06/841861106.db2.gz RIXOWOJLUTVNQX-GJZGRUSLSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274575722 841860979 /nfs/dbraw/zinc/86/09/79/841860979.db2.gz RIXOWOJLUTVNQX-HUUCEWRRSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274575722 841860975 /nfs/dbraw/zinc/86/09/75/841860975.db2.gz RIXOWOJLUTVNQX-HUUCEWRRSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)CC1 ZINC001274575724 841861633 /nfs/dbraw/zinc/86/16/33/841861633.db2.gz RIXOWOJLUTVNQX-LSDHHAIUSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)CC1 ZINC001274575724 841861626 /nfs/dbraw/zinc/86/16/26/841861626.db2.gz RIXOWOJLUTVNQX-LSDHHAIUSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274907192 841890386 /nfs/dbraw/zinc/89/03/86/841890386.db2.gz BTEXSBSQAVEDHQ-BQFCYCMXSA-N 2 1 354.495 -0.694 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274907192 841890381 /nfs/dbraw/zinc/89/03/81/841890381.db2.gz BTEXSBSQAVEDHQ-BQFCYCMXSA-N 2 1 354.495 -0.694 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274907193 841891243 /nfs/dbraw/zinc/89/12/43/841891243.db2.gz BTEXSBSQAVEDHQ-XYJFISCASA-N 2 1 354.495 -0.694 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274907193 841891228 /nfs/dbraw/zinc/89/12/28/841891228.db2.gz BTEXSBSQAVEDHQ-XYJFISCASA-N 2 1 354.495 -0.694 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@H]2CC1 ZINC001274907252 841891420 /nfs/dbraw/zinc/89/14/20/841891420.db2.gz CTBAZXTWMXRNGU-FZKCQIBNSA-N 2 1 352.479 -0.690 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C[C@H]2CC1 ZINC001274907252 841891409 /nfs/dbraw/zinc/89/14/09/841891409.db2.gz CTBAZXTWMXRNGU-FZKCQIBNSA-N 2 1 352.479 -0.690 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274908034 841891133 /nfs/dbraw/zinc/89/11/33/841891133.db2.gz JDSMBDPKZFBQOW-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274908034 841891125 /nfs/dbraw/zinc/89/11/25/841891125.db2.gz JDSMBDPKZFBQOW-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274908034 841891116 /nfs/dbraw/zinc/89/11/16/841891116.db2.gz JDSMBDPKZFBQOW-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274908034 841891103 /nfs/dbraw/zinc/89/11/03/841891103.db2.gz JDSMBDPKZFBQOW-MPGHIAIKSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274908035 841891048 /nfs/dbraw/zinc/89/10/48/841891048.db2.gz JDSMBDPKZFBQOW-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274908035 841891041 /nfs/dbraw/zinc/89/10/41/841891041.db2.gz JDSMBDPKZFBQOW-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274908035 841891030 /nfs/dbraw/zinc/89/10/30/841891030.db2.gz JDSMBDPKZFBQOW-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274908035 841891021 /nfs/dbraw/zinc/89/10/21/841891021.db2.gz JDSMBDPKZFBQOW-RLFYNMQTSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H](O)C[N@H+]3C)(C1)CCC2 ZINC001274908752 841890719 /nfs/dbraw/zinc/89/07/19/841890719.db2.gz OOPUHXACZKTNJH-DFEHZGFQSA-N 2 1 352.479 -0.309 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)(C1)CCC2 ZINC001274908752 841890705 /nfs/dbraw/zinc/89/07/05/841890705.db2.gz OOPUHXACZKTNJH-DFEHZGFQSA-N 2 1 352.479 -0.309 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001274908819 841890243 /nfs/dbraw/zinc/89/02/43/841890243.db2.gz PTNFQTMNHCEONL-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001274908819 841890233 /nfs/dbraw/zinc/89/02/33/841890233.db2.gz PTNFQTMNHCEONL-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)CC2 ZINC001274908819 841890222 /nfs/dbraw/zinc/89/02/22/841890222.db2.gz PTNFQTMNHCEONL-GJZGRUSLSA-N 2 1 352.479 -0.546 20 0 FBADMP COCCOCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274909542 841892929 /nfs/dbraw/zinc/89/29/29/841892929.db2.gz ZAFNYAGMVAEJIJ-BQFCYCMXSA-N 2 1 355.479 -0.014 20 0 FBADMP COCCOCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274909542 841892914 /nfs/dbraw/zinc/89/29/14/841892914.db2.gz ZAFNYAGMVAEJIJ-BQFCYCMXSA-N 2 1 355.479 -0.014 20 0 FBADMP COCCOCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274909547 841892686 /nfs/dbraw/zinc/89/26/86/841892686.db2.gz ZAFNYAGMVAEJIJ-XYJFISCASA-N 2 1 355.479 -0.014 20 0 FBADMP COCCOCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274909547 841892671 /nfs/dbraw/zinc/89/26/71/841892671.db2.gz ZAFNYAGMVAEJIJ-XYJFISCASA-N 2 1 355.479 -0.014 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](C[C@H](O)COC)CC2)CC[N@H+]1C ZINC001274910564 841892440 /nfs/dbraw/zinc/89/24/40/841892440.db2.gz OKUPPISVDYUGQO-HRCADAONSA-N 2 1 357.495 -0.333 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCn3cncn3)CC2)CC[N@H+]1C ZINC001274910670 841892178 /nfs/dbraw/zinc/89/21/78/841892178.db2.gz SAGKBGALOSNWHQ-HUUCEWRRSA-N 2 1 350.467 -0.439 20 0 FBADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001275172252 841921949 /nfs/dbraw/zinc/92/19/49/841921949.db2.gz SYFVSXBWWVZRBE-HMQMGEFJSA-N 2 1 354.495 -0.036 20 0 FBADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001275172253 841921917 /nfs/dbraw/zinc/92/19/17/841921917.db2.gz SYFVSXBWWVZRBE-NPYXIHBLSA-N 2 1 354.495 -0.036 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275176115 841922027 /nfs/dbraw/zinc/92/20/27/841922027.db2.gz GWWOOIOROOGTMI-FGTMMUONSA-N 2 1 351.539 -0.036 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275176115 841922015 /nfs/dbraw/zinc/92/20/15/841922015.db2.gz GWWOOIOROOGTMI-FGTMMUONSA-N 2 1 351.539 -0.036 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275176115 841922008 /nfs/dbraw/zinc/92/20/08/841922008.db2.gz GWWOOIOROOGTMI-FGTMMUONSA-N 2 1 351.539 -0.036 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275176117 841921388 /nfs/dbraw/zinc/92/13/88/841921388.db2.gz GWWOOIOROOGTMI-KSZLIROESA-N 2 1 351.539 -0.036 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275176117 841921378 /nfs/dbraw/zinc/92/13/78/841921378.db2.gz GWWOOIOROOGTMI-KSZLIROESA-N 2 1 351.539 -0.036 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275176117 841921366 /nfs/dbraw/zinc/92/13/66/841921366.db2.gz GWWOOIOROOGTMI-KSZLIROESA-N 2 1 351.539 -0.036 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001275241774 841926889 /nfs/dbraw/zinc/92/68/89/841926889.db2.gz JCOLEFNVBAOCCL-DIOPXHOYSA-N 2 1 350.463 -0.699 20 0 FBADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001275241774 841926878 /nfs/dbraw/zinc/92/68/78/841926878.db2.gz JCOLEFNVBAOCCL-DIOPXHOYSA-N 2 1 350.463 -0.699 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275241895 841927243 /nfs/dbraw/zinc/92/72/43/841927243.db2.gz LYNVCMQANOTGTB-OYUZRVEBSA-N 2 1 350.463 -0.890 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242230 841928081 /nfs/dbraw/zinc/92/80/81/841928081.db2.gz SKHOSGYJXUADRY-ADOMEBDSSA-N 2 1 350.463 -0.747 20 0 FBADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242230 841928075 /nfs/dbraw/zinc/92/80/75/841928075.db2.gz SKHOSGYJXUADRY-ADOMEBDSSA-N 2 1 350.463 -0.747 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242232 841927459 /nfs/dbraw/zinc/92/74/59/841927459.db2.gz SKHOSGYJXUADRY-FHIHXZLISA-N 2 1 350.463 -0.747 20 0 FBADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242232 841927452 /nfs/dbraw/zinc/92/74/52/841927452.db2.gz SKHOSGYJXUADRY-FHIHXZLISA-N 2 1 350.463 -0.747 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275242532 841928012 /nfs/dbraw/zinc/92/80/12/841928012.db2.gz WATOPXLLIKRITM-KKUMJFAQSA-N 2 1 350.463 -0.890 20 0 FBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275242533 841927581 /nfs/dbraw/zinc/92/75/81/841927581.db2.gz WATOPXLLIKRITM-ZNMIVQPWSA-N 2 1 350.463 -0.890 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001275286877 841931224 /nfs/dbraw/zinc/93/12/24/841931224.db2.gz GAKYIYKRTODQSZ-GOSISDBHSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001275286878 841931581 /nfs/dbraw/zinc/93/15/81/841931581.db2.gz GAKYIYKRTODQSZ-SFHVURJKSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCN1CCOCC1)C2 ZINC001275287448 841932515 /nfs/dbraw/zinc/93/25/15/841932515.db2.gz OTHWVJATMBASDU-GOSISDBHSA-N 2 1 354.495 -0.569 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCN1CCOCC1)C2 ZINC001275287449 841932051 /nfs/dbraw/zinc/93/20/51/841932051.db2.gz OTHWVJATMBASDU-SFHVURJKSA-N 2 1 354.495 -0.569 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC001275514807 841945351 /nfs/dbraw/zinc/94/53/51/841945351.db2.gz DZHDPRACSKDAMC-UHFFFAOYSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC(C)(C)N1CCOCC1)C2 ZINC001275514807 841945346 /nfs/dbraw/zinc/94/53/46/841945346.db2.gz DZHDPRACSKDAMC-UHFFFAOYSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+](C)CCN1CC2(CN(CC(C)(C)[NH+]3CCOCC3)C2)OCC1=O ZINC001275516158 841945368 /nfs/dbraw/zinc/94/53/68/841945368.db2.gz VDOHZFJFKAQIER-UHFFFAOYSA-N 2 1 354.495 -0.428 20 0 FBADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(C[C@@H]2CCC(=O)N2)C(=O)CO3)CC1 ZINC001275555350 841946996 /nfs/dbraw/zinc/94/69/96/841946996.db2.gz SPRDFXQMXUWBJX-HNNXBMFYSA-N 2 1 350.463 -0.480 20 0 FBADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(C[C@H]2CCC(=O)N2)C(=O)CO3)CC1 ZINC001275555351 841946588 /nfs/dbraw/zinc/94/65/88/841946588.db2.gz SPRDFXQMXUWBJX-OAHLLOKOSA-N 2 1 350.463 -0.480 20 0 FBADMP CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275556457 841947296 /nfs/dbraw/zinc/94/72/96/841947296.db2.gz LDLHHHWRHNCVTR-UHFFFAOYSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557015 841947184 /nfs/dbraw/zinc/94/71/84/841947184.db2.gz SFKFDBIIMJJDFV-CRAIPNDOSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557016 841946724 /nfs/dbraw/zinc/94/67/24/841946724.db2.gz SFKFDBIIMJJDFV-MAUKXSAKSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557017 841947081 /nfs/dbraw/zinc/94/70/81/841947081.db2.gz SFKFDBIIMJJDFV-QAPCUYQASA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557018 841947162 /nfs/dbraw/zinc/94/71/62/841947162.db2.gz SFKFDBIIMJJDFV-YJBOKZPZSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C)C(=O)CCN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557076 841946687 /nfs/dbraw/zinc/94/66/87/841946687.db2.gz UNNKLILYMHPJLJ-UHFFFAOYSA-N 2 1 352.479 -0.280 20 0 FBADMP CCNC(=O)CN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557234 841946906 /nfs/dbraw/zinc/94/69/06/841946906.db2.gz WBFGIBGSRMWTDJ-GOSISDBHSA-N 2 1 352.479 -0.232 20 0 FBADMP CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557236 841946705 /nfs/dbraw/zinc/94/67/05/841946705.db2.gz WBFGIBGSRMWTDJ-SFHVURJKSA-N 2 1 352.479 -0.232 20 0 FBADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736132 841957959 /nfs/dbraw/zinc/95/79/59/841957959.db2.gz BPZGEJIJHYFWMR-GOSISDBHSA-N 2 1 352.479 -0.327 20 0 FBADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736133 841957555 /nfs/dbraw/zinc/95/75/55/841957555.db2.gz BPZGEJIJHYFWMR-SFHVURJKSA-N 2 1 352.479 -0.327 20 0 FBADMP O=C1CC[C@H](CN2C[C@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)N1 ZINC001275736159 841957402 /nfs/dbraw/zinc/95/74/02/841957402.db2.gz CNLRHDGYRIUKPE-CRAIPNDOSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C1CC[C@@H](CN2C[C@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)N1 ZINC001275736161 841957972 /nfs/dbraw/zinc/95/79/72/841957972.db2.gz CNLRHDGYRIUKPE-MAUKXSAKSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C1CC[C@H](CN2C[C@@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)N1 ZINC001275736163 841957980 /nfs/dbraw/zinc/95/79/80/841957980.db2.gz CNLRHDGYRIUKPE-QAPCUYQASA-N 2 1 350.463 -0.432 20 0 FBADMP O=C1CC[C@@H](CN2C[C@@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)N1 ZINC001275736165 841957194 /nfs/dbraw/zinc/95/71/94/841957194.db2.gz CNLRHDGYRIUKPE-YJBOKZPZSA-N 2 1 350.463 -0.432 20 0 FBADMP COC[C@@H](C(=O)OC)N1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736372 841957302 /nfs/dbraw/zinc/95/73/02/841957302.db2.gz DJNSOTDFAWOBGC-AWEZNQCLSA-N 2 1 355.435 -0.913 20 0 FBADMP COC[C@H](C(=O)OC)N1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736375 841957337 /nfs/dbraw/zinc/95/73/37/841957337.db2.gz DJNSOTDFAWOBGC-CQSZACIVSA-N 2 1 355.435 -0.913 20 0 FBADMP NC(=O)CCCCCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736562 841957584 /nfs/dbraw/zinc/95/75/84/841957584.db2.gz GEAKZDGCQRSPBT-UHFFFAOYSA-N 2 1 352.479 -0.055 20 0 FBADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736739 841957159 /nfs/dbraw/zinc/95/71/59/841957159.db2.gz GPWIGXQYHDHFBE-CRAIPNDOSA-N 2 1 352.479 -0.199 20 0 FBADMP CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736741 841957287 /nfs/dbraw/zinc/95/72/87/841957287.db2.gz GPWIGXQYHDHFBE-MAUKXSAKSA-N 2 1 352.479 -0.199 20 0 FBADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736745 841957839 /nfs/dbraw/zinc/95/78/39/841957839.db2.gz GPWIGXQYHDHFBE-QAPCUYQASA-N 2 1 352.479 -0.199 20 0 FBADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736747 841957246 /nfs/dbraw/zinc/95/72/46/841957246.db2.gz GPWIGXQYHDHFBE-YJBOKZPZSA-N 2 1 352.479 -0.199 20 0 FBADMP CN(C)C(=O)CCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737124 841957531 /nfs/dbraw/zinc/95/75/31/841957531.db2.gz IMRCZNITYFZEEZ-GOSISDBHSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)C(=O)CCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737128 841957911 /nfs/dbraw/zinc/95/79/11/841957911.db2.gz IMRCZNITYFZEEZ-SFHVURJKSA-N 2 1 352.479 -0.232 20 0 FBADMP O=C1CC[C@@H](CN2C[C@@]3(F)C[N@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)N1 ZINC001275737152 841957823 /nfs/dbraw/zinc/95/78/23/841957823.db2.gz IOPVFAFEGURCCG-RRQGHBQHSA-N 2 1 356.417 -0.161 20 0 FBADMP O=C1CC[C@@H](CN2C[C@@]3(F)C[N@@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)N1 ZINC001275737152 841957817 /nfs/dbraw/zinc/95/78/17/841957817.db2.gz IOPVFAFEGURCCG-RRQGHBQHSA-N 2 1 356.417 -0.161 20 0 FBADMP O=C1CC[C@H](CN2C[C@@]3(F)C[N@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)N1 ZINC001275737156 841958002 /nfs/dbraw/zinc/95/80/02/841958002.db2.gz IOPVFAFEGURCCG-XOKHGSTOSA-N 2 1 356.417 -0.161 20 0 FBADMP O=C1CC[C@H](CN2C[C@@]3(F)C[N@@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)N1 ZINC001275737156 841957994 /nfs/dbraw/zinc/95/79/94/841957994.db2.gz IOPVFAFEGURCCG-XOKHGSTOSA-N 2 1 356.417 -0.161 20 0 FBADMP CCN(CC)C(=O)CN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737159 841957744 /nfs/dbraw/zinc/95/77/44/841957744.db2.gz IRBAARKYVKLGIR-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737163 841957952 /nfs/dbraw/zinc/95/79/52/841957952.db2.gz ITHMRYRSFQPLML-GOSISDBHSA-N 2 1 350.463 -0.037 20 0 FBADMP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737166 841958124 /nfs/dbraw/zinc/95/81/24/841958124.db2.gz ITHMRYRSFQPLML-SFHVURJKSA-N 2 1 350.463 -0.037 20 0 FBADMP CCS(=O)(=O)CCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737265 841957427 /nfs/dbraw/zinc/95/74/27/841957427.db2.gz IWQORMLZLPCDMM-KRWDZBQOSA-N 2 1 373.519 -0.276 20 0 FBADMP CCS(=O)(=O)CCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737266 841957468 /nfs/dbraw/zinc/95/74/68/841957468.db2.gz IWQORMLZLPCDMM-QGZVFWFLSA-N 2 1 373.519 -0.276 20 0 FBADMP O=C1COC2(C[NH+](CC3CC[NH2+]CC3)C2)CN1CCN1CCOCC1 ZINC001275738081 841957607 /nfs/dbraw/zinc/95/76/07/841957607.db2.gz UHMBJRZYRKNUFH-UHFFFAOYSA-N 2 1 352.479 -0.769 20 0 FBADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738234 841957925 /nfs/dbraw/zinc/95/79/25/841957925.db2.gz WJSNQZJXGPGKSK-GOSISDBHSA-N 2 1 352.479 -0.186 20 0 FBADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738235 841957273 /nfs/dbraw/zinc/95/72/73/841957273.db2.gz WJSNQZJXGPGKSK-SFHVURJKSA-N 2 1 352.479 -0.186 20 0 FBADMP Cn1cnnc1CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275738414 841957722 /nfs/dbraw/zinc/95/77/22/841957722.db2.gz YKWIRJYYTUDVII-JKSUJKDBSA-N 2 1 354.405 -0.111 20 0 FBADMP Cn1cnnc1CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275738414 841957709 /nfs/dbraw/zinc/95/77/09/841957709.db2.gz YKWIRJYYTUDVII-JKSUJKDBSA-N 2 1 354.405 -0.111 20 0 FBADMP CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743056 841958909 /nfs/dbraw/zinc/95/89/09/841958909.db2.gz KUPZNGLNYPRNCH-HNNXBMFYSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743057 841959021 /nfs/dbraw/zinc/95/90/21/841959021.db2.gz KUPZNGLNYPRNCH-OAHLLOKOSA-N 2 1 352.479 -0.105 20 0 FBADMP CCNC(=O)CN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743130 841958466 /nfs/dbraw/zinc/95/84/66/841958466.db2.gz MKXRMRCEJROQCJ-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001275798271 841962354 /nfs/dbraw/zinc/96/23/54/841962354.db2.gz ABJOAQTUKOFQBU-HNNXBMFYSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001275798271 841962349 /nfs/dbraw/zinc/96/23/49/841962349.db2.gz ABJOAQTUKOFQBU-HNNXBMFYSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](O)C1)CC2 ZINC001275798271 841962344 /nfs/dbraw/zinc/96/23/44/841962344.db2.gz ABJOAQTUKOFQBU-HNNXBMFYSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001275798277 841961851 /nfs/dbraw/zinc/96/18/51/841961851.db2.gz ABJOAQTUKOFQBU-OAHLLOKOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001275798277 841961836 /nfs/dbraw/zinc/96/18/36/841961836.db2.gz ABJOAQTUKOFQBU-OAHLLOKOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](O)C1)CC2 ZINC001275798277 841961827 /nfs/dbraw/zinc/96/18/27/841961827.db2.gz ABJOAQTUKOFQBU-OAHLLOKOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001275798696 841961650 /nfs/dbraw/zinc/96/16/50/841961650.db2.gz DRWFPVZKXPLNIP-OWCLPIDISA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001275798696 841961641 /nfs/dbraw/zinc/96/16/41/841961641.db2.gz DRWFPVZKXPLNIP-OWCLPIDISA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001275798696 841961628 /nfs/dbraw/zinc/96/16/28/841961628.db2.gz DRWFPVZKXPLNIP-OWCLPIDISA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001275798703 841962057 /nfs/dbraw/zinc/96/20/57/841962057.db2.gz DRWFPVZKXPLNIP-XHSDSOJGSA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001275798703 841962047 /nfs/dbraw/zinc/96/20/47/841962047.db2.gz DRWFPVZKXPLNIP-XHSDSOJGSA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001275798703 841962039 /nfs/dbraw/zinc/96/20/39/841962039.db2.gz DRWFPVZKXPLNIP-XHSDSOJGSA-N 2 1 352.479 -0.688 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001275799146 841962543 /nfs/dbraw/zinc/96/25/43/841962543.db2.gz JAYDUPOFQCLVTA-CRAIPNDOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001275799146 841962539 /nfs/dbraw/zinc/96/25/39/841962539.db2.gz JAYDUPOFQCLVTA-CRAIPNDOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799146 841962534 /nfs/dbraw/zinc/96/25/34/841962534.db2.gz JAYDUPOFQCLVTA-CRAIPNDOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799146 841962527 /nfs/dbraw/zinc/96/25/27/841962527.db2.gz JAYDUPOFQCLVTA-CRAIPNDOSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001275799148 841962194 /nfs/dbraw/zinc/96/21/94/841962194.db2.gz JAYDUPOFQCLVTA-MAUKXSAKSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001275799148 841962183 /nfs/dbraw/zinc/96/21/83/841962183.db2.gz JAYDUPOFQCLVTA-MAUKXSAKSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799148 841962174 /nfs/dbraw/zinc/96/21/74/841962174.db2.gz JAYDUPOFQCLVTA-MAUKXSAKSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799148 841962166 /nfs/dbraw/zinc/96/21/66/841962166.db2.gz JAYDUPOFQCLVTA-MAUKXSAKSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001275799150 841961260 /nfs/dbraw/zinc/96/12/60/841961260.db2.gz JAYDUPOFQCLVTA-QAPCUYQASA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001275799150 841961250 /nfs/dbraw/zinc/96/12/50/841961250.db2.gz JAYDUPOFQCLVTA-QAPCUYQASA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799150 841961244 /nfs/dbraw/zinc/96/12/44/841961244.db2.gz JAYDUPOFQCLVTA-QAPCUYQASA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799150 841961233 /nfs/dbraw/zinc/96/12/33/841961233.db2.gz JAYDUPOFQCLVTA-QAPCUYQASA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001275799153 841961339 /nfs/dbraw/zinc/96/13/39/841961339.db2.gz JAYDUPOFQCLVTA-YJBOKZPZSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001275799153 841961332 /nfs/dbraw/zinc/96/13/32/841961332.db2.gz JAYDUPOFQCLVTA-YJBOKZPZSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799153 841961325 /nfs/dbraw/zinc/96/13/25/841961325.db2.gz JAYDUPOFQCLVTA-YJBOKZPZSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799153 841961316 /nfs/dbraw/zinc/96/13/16/841961316.db2.gz JAYDUPOFQCLVTA-YJBOKZPZSA-N 2 1 352.479 -0.544 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001275800104 841962308 /nfs/dbraw/zinc/96/23/08/841962308.db2.gz QNUXRIYMDZDDPZ-FHLIZLRMSA-N 2 1 352.479 -0.308 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001275800104 841962302 /nfs/dbraw/zinc/96/23/02/841962302.db2.gz QNUXRIYMDZDDPZ-FHLIZLRMSA-N 2 1 352.479 -0.308 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001275800108 841961401 /nfs/dbraw/zinc/96/14/01/841961401.db2.gz QNUXRIYMDZDDPZ-JCGIZDLHSA-N 2 1 352.479 -0.308 20 0 FBADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001275800108 841961397 /nfs/dbraw/zinc/96/13/97/841961397.db2.gz QNUXRIYMDZDDPZ-JCGIZDLHSA-N 2 1 352.479 -0.308 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800178 841962386 /nfs/dbraw/zinc/96/23/86/841962386.db2.gz AYZQHRBTMOOGFS-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800178 841962383 /nfs/dbraw/zinc/96/23/83/841962383.db2.gz AYZQHRBTMOOGFS-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800180 841962107 /nfs/dbraw/zinc/96/21/07/841962107.db2.gz AYZQHRBTMOOGFS-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800180 841962096 /nfs/dbraw/zinc/96/20/96/841962096.db2.gz AYZQHRBTMOOGFS-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800182 841961944 /nfs/dbraw/zinc/96/19/44/841961944.db2.gz AYZQHRBTMOOGFS-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800182 841961936 /nfs/dbraw/zinc/96/19/36/841961936.db2.gz AYZQHRBTMOOGFS-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800185 841961416 /nfs/dbraw/zinc/96/14/16/841961416.db2.gz AYZQHRBTMOOGFS-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800185 841961410 /nfs/dbraw/zinc/96/14/10/841961410.db2.gz AYZQHRBTMOOGFS-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)C1 ZINC001275817174 841965613 /nfs/dbraw/zinc/96/56/13/841965613.db2.gz ISCGNZPYFDWXLQ-HRCADAONSA-N 2 1 352.479 -0.424 20 0 FBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)C1 ZINC001275817594 841965648 /nfs/dbraw/zinc/96/56/48/841965648.db2.gz PAUJZRYONMISJW-JYJNAYRXSA-N 2 1 352.479 -0.282 20 0 FBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)C1 ZINC001275817993 841965744 /nfs/dbraw/zinc/96/57/44/841965744.db2.gz XFCLCZSEDVVDEL-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP CCNC(=O)CN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833457 841967959 /nfs/dbraw/zinc/96/79/59/841967959.db2.gz HRARLDGJJDBRBI-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275834055 841967826 /nfs/dbraw/zinc/96/78/26/841967826.db2.gz WYIPZXSBDQQVMF-AWEZNQCLSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275834057 841967779 /nfs/dbraw/zinc/96/77/79/841967779.db2.gz WYIPZXSBDQQVMF-CQSZACIVSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001275836639 841967529 /nfs/dbraw/zinc/96/75/29/841967529.db2.gz VEJHZHQGPKHCHH-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CCCN1C(=O)CNC1=O ZINC001275836639 841967524 /nfs/dbraw/zinc/96/75/24/841967524.db2.gz VEJHZHQGPKHCHH-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001275836639 841967512 /nfs/dbraw/zinc/96/75/12/841967512.db2.gz VEJHZHQGPKHCHH-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001275836640 841967851 /nfs/dbraw/zinc/96/78/51/841967851.db2.gz VEJHZHQGPKHCHH-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CCCN1C(=O)CNC1=O ZINC001275836640 841967844 /nfs/dbraw/zinc/96/78/44/841967844.db2.gz VEJHZHQGPKHCHH-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001275836640 841967838 /nfs/dbraw/zinc/96/78/38/841967838.db2.gz VEJHZHQGPKHCHH-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP CN1CC[NH+](CCCN2CC3(CN(CC[NH+](C)C)C3)OCC2=O)CC1 ZINC001275841714 841967980 /nfs/dbraw/zinc/96/79/80/841967980.db2.gz CAVXYOQFTPIWPN-UHFFFAOYSA-N 2 1 353.511 -0.901 20 0 FBADMP CN1CC[NH+](CCCN2C(=O)COCC23CN(CC[NH+](C)C)C3)CC1 ZINC001275842244 841968787 /nfs/dbraw/zinc/96/87/87/841968787.db2.gz IMAPVYLDBMIQRU-UHFFFAOYSA-N 2 1 353.511 -0.901 20 0 FBADMP CC[C@@H](C(N)=O)N1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275877301 841971606 /nfs/dbraw/zinc/97/16/06/841971606.db2.gz APVIWQCSILSTFQ-HNNXBMFYSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@H](C(N)=O)N1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275877303 841971299 /nfs/dbraw/zinc/97/12/99/841971299.db2.gz APVIWQCSILSTFQ-OAHLLOKOSA-N 2 1 352.479 -0.105 20 0 FBADMP CCNC(=O)CN1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001275877497 841972776 /nfs/dbraw/zinc/97/27/76/841972776.db2.gz CGOIQBFVHMZGPH-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CCNC(=O)CN1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275880286 841972910 /nfs/dbraw/zinc/97/29/10/841972910.db2.gz UCWRNEAGOBVLOS-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001275881396 841972079 /nfs/dbraw/zinc/97/20/79/841972079.db2.gz ZTPZHEFZVAYFOD-HNNXBMFYSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001275881398 841972895 /nfs/dbraw/zinc/97/28/95/841972895.db2.gz ZTPZHEFZVAYFOD-OAHLLOKOSA-N 2 1 352.479 -0.105 20 0 FBADMP CC(=O)N1CCC(C[NH+]2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275893407 841973999 /nfs/dbraw/zinc/97/39/99/841973999.db2.gz YCFRVHOJSDAAPN-UHFFFAOYSA-N 2 1 352.479 -0.280 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC3C(=O)N=CNC3=O)C2)OCC1=O ZINC001275895104 841973343 /nfs/dbraw/zinc/97/33/43/841973343.db2.gz DFMRCMUYLQHUCH-INIZCTEOSA-N 2 1 351.407 -0.747 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC3C(=O)N=CNC3=O)C2)OCC1=O ZINC001275895105 841973633 /nfs/dbraw/zinc/97/36/33/841973633.db2.gz DFMRCMUYLQHUCH-MRXNPFEDSA-N 2 1 351.407 -0.747 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276007272 841980775 /nfs/dbraw/zinc/98/07/75/841980775.db2.gz OERPANXRYFOAIA-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276007273 841980623 /nfs/dbraw/zinc/98/06/23/841980623.db2.gz OERPANXRYFOAIA-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001276007417 841980694 /nfs/dbraw/zinc/98/06/94/841980694.db2.gz SERWBESVSXTTGB-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001276186759 841996321 /nfs/dbraw/zinc/99/63/21/841996321.db2.gz ZGXIFLAPAKLJCO-GOSISDBHSA-N 2 1 351.495 -0.563 20 0 FBADMP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001276186760 841996066 /nfs/dbraw/zinc/99/60/66/841996066.db2.gz ZGXIFLAPAKLJCO-SFHVURJKSA-N 2 1 351.495 -0.563 20 0 FBADMP COCC[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276357507 842102277 /nfs/dbraw/zinc/10/22/77/842102277.db2.gz NETMCMROSHNPQE-GOSISDBHSA-N 2 1 354.495 -0.426 20 0 FBADMP COCC[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276357507 842102268 /nfs/dbraw/zinc/10/22/68/842102268.db2.gz NETMCMROSHNPQE-GOSISDBHSA-N 2 1 354.495 -0.426 20 0 FBADMP COCC[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276357507 842102262 /nfs/dbraw/zinc/10/22/62/842102262.db2.gz NETMCMROSHNPQE-GOSISDBHSA-N 2 1 354.495 -0.426 20 0 FBADMP COCC[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276357508 842102334 /nfs/dbraw/zinc/10/23/34/842102334.db2.gz NETMCMROSHNPQE-SFHVURJKSA-N 2 1 354.495 -0.426 20 0 FBADMP COCC[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276357508 842102328 /nfs/dbraw/zinc/10/23/28/842102328.db2.gz NETMCMROSHNPQE-SFHVURJKSA-N 2 1 354.495 -0.426 20 0 FBADMP COCC[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276357508 842102324 /nfs/dbraw/zinc/10/23/24/842102324.db2.gz NETMCMROSHNPQE-SFHVURJKSA-N 2 1 354.495 -0.426 20 0 FBADMP CN(C)C(=O)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608360 844127738 /nfs/dbraw/zinc/12/77/38/844127738.db2.gz CTPNVGBZKAXGPA-GOSISDBHSA-N 2 1 354.495 -0.033 20 0 FBADMP CN(C)C(=O)CCN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608360 844127726 /nfs/dbraw/zinc/12/77/26/844127726.db2.gz CTPNVGBZKAXGPA-GOSISDBHSA-N 2 1 354.495 -0.033 20 0 FBADMP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608361 844128366 /nfs/dbraw/zinc/12/83/66/844128366.db2.gz CTPNVGBZKAXGPA-SFHVURJKSA-N 2 1 354.495 -0.033 20 0 FBADMP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608361 844128360 /nfs/dbraw/zinc/12/83/60/844128360.db2.gz CTPNVGBZKAXGPA-SFHVURJKSA-N 2 1 354.495 -0.033 20 0 FBADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001276608771 844128311 /nfs/dbraw/zinc/12/83/11/844128311.db2.gz FAKOZIXKHMHSEL-CRAIPNDOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001276608771 844128305 /nfs/dbraw/zinc/12/83/05/844128305.db2.gz FAKOZIXKHMHSEL-CRAIPNDOSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001276608773 844128386 /nfs/dbraw/zinc/12/83/86/844128386.db2.gz FAKOZIXKHMHSEL-MAUKXSAKSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001276608773 844128380 /nfs/dbraw/zinc/12/83/80/844128380.db2.gz FAKOZIXKHMHSEL-MAUKXSAKSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001276608775 844127812 /nfs/dbraw/zinc/12/78/12/844127812.db2.gz FAKOZIXKHMHSEL-QAPCUYQASA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001276608775 844127810 /nfs/dbraw/zinc/12/78/10/844127810.db2.gz FAKOZIXKHMHSEL-QAPCUYQASA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001276608777 844128590 /nfs/dbraw/zinc/12/85/90/844128590.db2.gz FAKOZIXKHMHSEL-YJBOKZPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001276608777 844128585 /nfs/dbraw/zinc/12/85/85/844128585.db2.gz FAKOZIXKHMHSEL-YJBOKZPZSA-N 2 1 352.479 -0.232 20 0 FBADMP C[NH+](C)CCN1CC2(CN(CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276629945 844140614 /nfs/dbraw/zinc/14/06/14/844140614.db2.gz GWGLFCWEPNLDQY-UHFFFAOYSA-N 2 1 353.511 -0.901 20 0 FBADMP C[NH+](C)CCN1C(=O)COCC12CN(CCCN1CC[NH+](C)CC1)C2 ZINC001276630458 844141570 /nfs/dbraw/zinc/14/15/70/844141570.db2.gz XXJPSPZQUACXHW-UHFFFAOYSA-N 2 1 353.511 -0.901 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)N1CCOCC1 ZINC001276676216 844170827 /nfs/dbraw/zinc/17/08/27/844170827.db2.gz XAMVQTIOXOZXCH-GOSISDBHSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)N1CCOCC1 ZINC001276676216 844170822 /nfs/dbraw/zinc/17/08/22/844170822.db2.gz XAMVQTIOXOZXCH-GOSISDBHSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)N1CCOCC1 ZINC001276676217 844171431 /nfs/dbraw/zinc/17/14/31/844171431.db2.gz XAMVQTIOXOZXCH-SFHVURJKSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)N1CCOCC1 ZINC001276676217 844171427 /nfs/dbraw/zinc/17/14/27/844171427.db2.gz XAMVQTIOXOZXCH-SFHVURJKSA-N 2 1 352.479 -0.136 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(=O)N1CCCC1)C2 ZINC001276677404 844172859 /nfs/dbraw/zinc/17/28/59/844172859.db2.gz ABRDBIHDZOIXFO-GOSISDBHSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC(=O)N1CCCC1)C2 ZINC001276677404 844172852 /nfs/dbraw/zinc/17/28/52/844172852.db2.gz ABRDBIHDZOIXFO-GOSISDBHSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(=O)N1CCCC1)C2 ZINC001276677405 844171945 /nfs/dbraw/zinc/17/19/45/844171945.db2.gz ABRDBIHDZOIXFO-SFHVURJKSA-N 2 1 352.479 -0.279 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(=O)N1CCCC1)C2 ZINC001276677405 844171938 /nfs/dbraw/zinc/17/19/38/844171938.db2.gz ABRDBIHDZOIXFO-SFHVURJKSA-N 2 1 352.479 -0.279 20 0 FBADMP COC[C@H](C(=O)OC)[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725382 844551943 /nfs/dbraw/zinc/55/19/43/844551943.db2.gz IVHLFJNOUNOCJN-CXAGYDPISA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725382 844551937 /nfs/dbraw/zinc/55/19/37/844551937.db2.gz IVHLFJNOUNOCJN-CXAGYDPISA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@H](C(=O)OC)[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725383 844551660 /nfs/dbraw/zinc/55/16/60/844551660.db2.gz IVHLFJNOUNOCJN-DYVFJYSZSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@H](C(=O)OC)[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725383 844551652 /nfs/dbraw/zinc/55/16/52/844551652.db2.gz IVHLFJNOUNOCJN-DYVFJYSZSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@@H](C(=O)OC)[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725384 844552034 /nfs/dbraw/zinc/55/20/34/844552034.db2.gz IVHLFJNOUNOCJN-GUYCJALGSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@@H](C(=O)OC)[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725384 844552030 /nfs/dbraw/zinc/55/20/30/844552030.db2.gz IVHLFJNOUNOCJN-GUYCJALGSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@@H](C(=O)OC)[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725385 844552016 /nfs/dbraw/zinc/55/20/16/844552016.db2.gz IVHLFJNOUNOCJN-SUMWQHHRSA-N 2 1 355.435 -0.423 20 0 FBADMP COC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276725385 844552010 /nfs/dbraw/zinc/55/20/10/844552010.db2.gz IVHLFJNOUNOCJN-SUMWQHHRSA-N 2 1 355.435 -0.423 20 0 FBADMP CS(=O)(=O)CCN1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276744738 844597339 /nfs/dbraw/zinc/59/73/39/844597339.db2.gz ZMXPBKKSHUJVML-INIZCTEOSA-N 2 1 368.459 -0.231 20 0 FBADMP CS(=O)(=O)CCN1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276744739 844596840 /nfs/dbraw/zinc/59/68/40/844596840.db2.gz ZMXPBKKSHUJVML-MRXNPFEDSA-N 2 1 368.459 -0.231 20 0 FBADMP CN1CCN(C(=O)C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276760966 844668563 /nfs/dbraw/zinc/66/85/63/844668563.db2.gz BUMQCZDFZOJSHV-GOSISDBHSA-N 2 1 351.495 -0.754 20 0 FBADMP CN1CCN(C(=O)C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276760969 844668254 /nfs/dbraw/zinc/66/82/54/844668254.db2.gz BUMQCZDFZOJSHV-SFHVURJKSA-N 2 1 351.495 -0.754 20 0 FBADMP CN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001276764901 844677037 /nfs/dbraw/zinc/67/70/37/844677037.db2.gz ZASBMVJEFHDTDO-HZPDHXFCSA-N 2 1 351.495 -0.613 20 0 FBADMP CCS(=O)(=O)CC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276771871 844690003 /nfs/dbraw/zinc/69/00/03/844690003.db2.gz JCRYFNRTSVLECD-INIZCTEOSA-N 2 1 359.492 -0.176 20 0 FBADMP CCS(=O)(=O)CC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276771872 844690207 /nfs/dbraw/zinc/69/02/07/844690207.db2.gz JCRYFNRTSVLECD-MRXNPFEDSA-N 2 1 359.492 -0.176 20 0 FBADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794416 844731456 /nfs/dbraw/zinc/73/14/56/844731456.db2.gz JJECWLPXOCSEMV-KDOFPFPSSA-N 2 1 354.495 -0.204 20 0 FBADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794417 844731879 /nfs/dbraw/zinc/73/18/79/844731879.db2.gz JJECWLPXOCSEMV-RDTXWAMCSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794727 844732883 /nfs/dbraw/zinc/73/28/83/844732883.db2.gz RMYQJIJEEGYCRI-GLJUWKHASA-N 2 1 354.495 -0.076 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794728 844732813 /nfs/dbraw/zinc/73/28/13/844732813.db2.gz RMYQJIJEEGYCRI-HBUWYVDXSA-N 2 1 354.495 -0.076 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794729 844732586 /nfs/dbraw/zinc/73/25/86/844732586.db2.gz RMYQJIJEEGYCRI-LBTNJELSSA-N 2 1 354.495 -0.076 20 0 FBADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794730 844732598 /nfs/dbraw/zinc/73/25/98/844732598.db2.gz RMYQJIJEEGYCRI-QWQRMKEZSA-N 2 1 354.495 -0.076 20 0 FBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001276795430 844736746 /nfs/dbraw/zinc/73/67/46/844736746.db2.gz JGFFCFOQGKHMRK-KDOFPFPSSA-N 2 1 353.463 -0.025 20 0 FBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001276795431 844736817 /nfs/dbraw/zinc/73/68/17/844736817.db2.gz JGFFCFOQGKHMRK-RDTXWAMCSA-N 2 1 353.463 -0.025 20 0 FBADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276826431 845685373 /nfs/dbraw/zinc/68/53/73/845685373.db2.gz DONPWTWIHDOOEG-WMLDXEAASA-N 2 1 357.451 -0.835 20 0 FBADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276826433 845685493 /nfs/dbraw/zinc/68/54/93/845685493.db2.gz DONPWTWIHDOOEG-YOEHRIQHSA-N 2 1 357.451 -0.835 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276913480 845765154 /nfs/dbraw/zinc/76/51/54/845765154.db2.gz CYTYPLFTESAFFC-GOSISDBHSA-N 2 1 354.495 -0.033 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276913480 845765150 /nfs/dbraw/zinc/76/51/50/845765150.db2.gz CYTYPLFTESAFFC-GOSISDBHSA-N 2 1 354.495 -0.033 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276913481 845765218 /nfs/dbraw/zinc/76/52/18/845765218.db2.gz CYTYPLFTESAFFC-SFHVURJKSA-N 2 1 354.495 -0.033 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276913481 845765215 /nfs/dbraw/zinc/76/52/15/845765215.db2.gz CYTYPLFTESAFFC-SFHVURJKSA-N 2 1 354.495 -0.033 20 0 FBADMP C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959940 845780754 /nfs/dbraw/zinc/78/07/54/845780754.db2.gz MBZYYCOTRNUSRG-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959940 845780748 /nfs/dbraw/zinc/78/07/48/845780748.db2.gz MBZYYCOTRNUSRG-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959940 845780741 /nfs/dbraw/zinc/78/07/41/845780741.db2.gz MBZYYCOTRNUSRG-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959941 845781243 /nfs/dbraw/zinc/78/12/43/845781243.db2.gz MBZYYCOTRNUSRG-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959941 845781239 /nfs/dbraw/zinc/78/12/39/845781239.db2.gz MBZYYCOTRNUSRG-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959941 845781234 /nfs/dbraw/zinc/78/12/34/845781234.db2.gz MBZYYCOTRNUSRG-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959942 845780912 /nfs/dbraw/zinc/78/09/12/845780912.db2.gz MBZYYCOTRNUSRG-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959942 845780906 /nfs/dbraw/zinc/78/09/06/845780906.db2.gz MBZYYCOTRNUSRG-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959942 845780905 /nfs/dbraw/zinc/78/09/05/845780905.db2.gz MBZYYCOTRNUSRG-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959943 845781172 /nfs/dbraw/zinc/78/11/72/845781172.db2.gz MBZYYCOTRNUSRG-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276959943 845781166 /nfs/dbraw/zinc/78/11/66/845781166.db2.gz MBZYYCOTRNUSRG-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959943 845781163 /nfs/dbraw/zinc/78/11/63/845781163.db2.gz MBZYYCOTRNUSRG-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(N)=O)CC2 ZINC001276966021 845783399 /nfs/dbraw/zinc/78/33/99/845783399.db2.gz VTMYJBHQIUOVDS-CYBMUJFWSA-N 2 1 354.451 -0.863 20 0 FBADMP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(N)=O)CC2 ZINC001276966022 845783433 /nfs/dbraw/zinc/78/34/33/845783433.db2.gz VTMYJBHQIUOVDS-ZDUSSCGKSA-N 2 1 354.451 -0.863 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276981416 845787519 /nfs/dbraw/zinc/78/75/19/845787519.db2.gz AYXBVYTXEQCFNK-GOSISDBHSA-N 2 1 351.495 -0.706 20 0 FBADMP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276981416 845787514 /nfs/dbraw/zinc/78/75/14/845787514.db2.gz AYXBVYTXEQCFNK-GOSISDBHSA-N 2 1 351.495 -0.706 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276981416 845787507 /nfs/dbraw/zinc/78/75/07/845787507.db2.gz AYXBVYTXEQCFNK-GOSISDBHSA-N 2 1 351.495 -0.706 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276981417 845787599 /nfs/dbraw/zinc/78/75/99/845787599.db2.gz AYXBVYTXEQCFNK-SFHVURJKSA-N 2 1 351.495 -0.706 20 0 FBADMP CNC(=O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276981417 845787595 /nfs/dbraw/zinc/78/75/95/845787595.db2.gz AYXBVYTXEQCFNK-SFHVURJKSA-N 2 1 351.495 -0.706 20 0 FBADMP CNC(=O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276981417 845787589 /nfs/dbraw/zinc/78/75/89/845787589.db2.gz AYXBVYTXEQCFNK-SFHVURJKSA-N 2 1 351.495 -0.706 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCN(C)S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001277060105 845806373 /nfs/dbraw/zinc/80/63/73/845806373.db2.gz IHLOMZJZKPNOKI-UONOGXRCSA-N 2 1 360.524 -0.154 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146880 845834311 /nfs/dbraw/zinc/83/43/11/845834311.db2.gz PFBYXAQXRIBKBY-INIZCTEOSA-N 2 1 351.407 -0.747 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146881 845834903 /nfs/dbraw/zinc/83/49/03/845834903.db2.gz PFBYXAQXRIBKBY-MRXNPFEDSA-N 2 1 351.407 -0.747 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001277239879 845860592 /nfs/dbraw/zinc/86/05/92/845860592.db2.gz SPRGTIHSNMNPQH-INIZCTEOSA-N 2 1 351.495 -0.580 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001277239880 845860840 /nfs/dbraw/zinc/86/08/40/845860840.db2.gz SPRGTIHSNMNPQH-MRXNPFEDSA-N 2 1 351.495 -0.580 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)N3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001277246750 845862591 /nfs/dbraw/zinc/86/25/91/845862591.db2.gz DADJOHZNBCYCQE-HZPDHXFCSA-N 2 1 359.421 -0.510 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)N3CC[NH+](C)CC3)C2)OCC1=O ZINC001277248439 845863299 /nfs/dbraw/zinc/86/32/99/845863299.db2.gz SNMXOLCAIAURIA-KRWDZBQOSA-N 2 1 353.467 -0.781 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)N3CC[NH+](C)CC3)C2)OCC1=O ZINC001277248440 845863371 /nfs/dbraw/zinc/86/33/71/845863371.db2.gz SNMXOLCAIAURIA-QGZVFWFLSA-N 2 1 353.467 -0.781 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277646742 845967680 /nfs/dbraw/zinc/96/76/80/845967680.db2.gz KECUWFDBHOGKHB-BNOWGMLFSA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277646743 845967738 /nfs/dbraw/zinc/96/77/38/845967738.db2.gz KECUWFDBHOGKHB-MRVWCRGKSA-N 2 1 353.467 -0.391 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695975 845972876 /nfs/dbraw/zinc/97/28/76/845972876.db2.gz CCLTULPKKGBNAP-AEFFLSMTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695976 845972456 /nfs/dbraw/zinc/97/24/56/845972456.db2.gz CCLTULPKKGBNAP-FUHWJXTLSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695977 845972540 /nfs/dbraw/zinc/97/25/40/845972540.db2.gz CCLTULPKKGBNAP-SJLPKXTDSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695978 845972676 /nfs/dbraw/zinc/97/26/76/845972676.db2.gz CCLTULPKKGBNAP-WMZOPIPTSA-N 2 1 354.495 -0.692 20 0 FBADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CN1CCOCC1 ZINC001277697281 845972851 /nfs/dbraw/zinc/97/28/51/845972851.db2.gz JCVBHCXXZCGFOU-BRWVUGGUSA-N 2 1 354.495 -0.694 20 0 FBADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)CN1CCOCC1 ZINC001277697285 845972370 /nfs/dbraw/zinc/97/23/70/845972370.db2.gz JCVBHCXXZCGFOU-GVDBMIGSSA-N 2 1 354.495 -0.694 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699048 845975037 /nfs/dbraw/zinc/97/50/37/845975037.db2.gz UUWXACDFVWCDDR-AEFFLSMTSA-N 2 1 354.495 -0.835 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699049 845974749 /nfs/dbraw/zinc/97/47/49/845974749.db2.gz UUWXACDFVWCDDR-FUHWJXTLSA-N 2 1 354.495 -0.835 20 0 FBADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699050 845974999 /nfs/dbraw/zinc/97/49/99/845974999.db2.gz UUWXACDFVWCDDR-SJLPKXTDSA-N 2 1 354.495 -0.835 20 0 FBADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699051 845974943 /nfs/dbraw/zinc/97/49/43/845974943.db2.gz UUWXACDFVWCDDR-WMZOPIPTSA-N 2 1 354.495 -0.835 20 0 FBADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718126 845981940 /nfs/dbraw/zinc/98/19/40/845981940.db2.gz BZAZOFFWYUWADT-FUHWJXTLSA-N 2 1 354.495 -0.956 20 0 FBADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718126 845981932 /nfs/dbraw/zinc/98/19/32/845981932.db2.gz BZAZOFFWYUWADT-FUHWJXTLSA-N 2 1 354.495 -0.956 20 0 FBADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718126 845981923 /nfs/dbraw/zinc/98/19/23/845981923.db2.gz BZAZOFFWYUWADT-FUHWJXTLSA-N 2 1 354.495 -0.956 20 0 FBADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718127 845981378 /nfs/dbraw/zinc/98/13/78/845981378.db2.gz BZAZOFFWYUWADT-WMZOPIPTSA-N 2 1 354.495 -0.956 20 0 FBADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718127 845981373 /nfs/dbraw/zinc/98/13/73/845981373.db2.gz BZAZOFFWYUWADT-WMZOPIPTSA-N 2 1 354.495 -0.956 20 0 FBADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718127 845981364 /nfs/dbraw/zinc/98/13/64/845981364.db2.gz BZAZOFFWYUWADT-WMZOPIPTSA-N 2 1 354.495 -0.956 20 0 FBADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981661 /nfs/dbraw/zinc/98/16/61/845981661.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 2 1 354.495 -0.958 20 0 FBADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981653 /nfs/dbraw/zinc/98/16/53/845981653.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 2 1 354.495 -0.958 20 0 FBADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981646 /nfs/dbraw/zinc/98/16/46/845981646.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 2 1 354.495 -0.958 20 0 FBADMP CC(C)OC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794898 846000580 /nfs/dbraw/zinc/00/05/80/846000580.db2.gz QRPXYQQPUZMSRB-AEFFLSMTSA-N 2 1 357.495 -0.115 20 0 FBADMP CC(C)OC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794899 846000999 /nfs/dbraw/zinc/00/09/99/846000999.db2.gz QRPXYQQPUZMSRB-FUHWJXTLSA-N 2 1 357.495 -0.115 20 0 FBADMP CC(C)OC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794900 846001314 /nfs/dbraw/zinc/00/13/14/846001314.db2.gz QRPXYQQPUZMSRB-SJLPKXTDSA-N 2 1 357.495 -0.115 20 0 FBADMP CC(C)OC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794901 846000532 /nfs/dbraw/zinc/00/05/32/846000532.db2.gz QRPXYQQPUZMSRB-WMZOPIPTSA-N 2 1 357.495 -0.115 20 0 FBADMP O=C1COCC2(CN(CC3(O)CCOCC3)C2)N1CCn1ccnc1 ZINC001277812979 846005636 /nfs/dbraw/zinc/00/56/36/846005636.db2.gz IZGBRQVGYVWNBV-UHFFFAOYSA-N 2 1 350.419 -0.662 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC3(O)CCOCC3)C2)C1=O ZINC001277813511 846005440 /nfs/dbraw/zinc/00/54/40/846005440.db2.gz PXBITQXBECFQEN-KRWDZBQOSA-N 2 1 353.463 -0.069 20 0 FBADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3(O)CCOCC3)C2)C1=O ZINC001277813512 846005867 /nfs/dbraw/zinc/00/58/67/846005867.db2.gz PXBITQXBECFQEN-QGZVFWFLSA-N 2 1 353.463 -0.069 20 0 FBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1(O)CCOCC1)C2 ZINC001277813831 846005596 /nfs/dbraw/zinc/00/55/96/846005596.db2.gz UHPFEUJPVOAMQT-KRWDZBQOSA-N 2 1 355.479 -0.360 20 0 FBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1(O)CCOCC1)C2 ZINC001277813834 846005816 /nfs/dbraw/zinc/00/58/16/846005816.db2.gz UHPFEUJPVOAMQT-QGZVFWFLSA-N 2 1 355.479 -0.360 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833048 846009402 /nfs/dbraw/zinc/00/94/02/846009402.db2.gz AROXACIXZJQRPR-CRAIPNDOSA-N 2 1 353.463 -0.071 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833049 846009312 /nfs/dbraw/zinc/00/93/12/846009312.db2.gz AROXACIXZJQRPR-MAUKXSAKSA-N 2 1 353.463 -0.071 20 0 FBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833050 846008999 /nfs/dbraw/zinc/00/89/99/846008999.db2.gz AROXACIXZJQRPR-QAPCUYQASA-N 2 1 353.463 -0.071 20 0 FBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833051 846010437 /nfs/dbraw/zinc/01/04/37/846010437.db2.gz AROXACIXZJQRPR-YJBOKZPZSA-N 2 1 353.463 -0.071 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833353 846010679 /nfs/dbraw/zinc/01/06/79/846010679.db2.gz CLJADYDYZDZGRH-DAYGRLMNSA-N 2 1 354.495 -0.123 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833354 846010716 /nfs/dbraw/zinc/01/07/16/846010716.db2.gz CLJADYDYZDZGRH-HDMKZQKVSA-N 2 1 354.495 -0.123 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833355 846010148 /nfs/dbraw/zinc/01/01/48/846010148.db2.gz CLJADYDYZDZGRH-IIDMSEBBSA-N 2 1 354.495 -0.123 20 0 FBADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833356 846010240 /nfs/dbraw/zinc/01/02/40/846010240.db2.gz CLJADYDYZDZGRH-RKVPGOIHSA-N 2 1 354.495 -0.123 20 0 FBADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837476 846011421 /nfs/dbraw/zinc/01/14/21/846011421.db2.gz YQHQRZGRJMYYAO-CRAIPNDOSA-N 2 1 354.495 -0.250 20 0 FBADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837477 846011921 /nfs/dbraw/zinc/01/19/21/846011921.db2.gz YQHQRZGRJMYYAO-MAUKXSAKSA-N 2 1 354.495 -0.250 20 0 FBADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837478 846011692 /nfs/dbraw/zinc/01/16/92/846011692.db2.gz YQHQRZGRJMYYAO-QAPCUYQASA-N 2 1 354.495 -0.250 20 0 FBADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837479 846011225 /nfs/dbraw/zinc/01/12/25/846011225.db2.gz YQHQRZGRJMYYAO-YJBOKZPZSA-N 2 1 354.495 -0.250 20 0 FBADMP CN(CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)S(C)(=O)=O ZINC001277873903 846017742 /nfs/dbraw/zinc/01/77/42/846017742.db2.gz KGCKLKLLMYUXKL-BFHYXJOUSA-N 2 1 369.491 -0.015 20 0 FBADMP CN(CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)S(C)(=O)=O ZINC001277873904 846017789 /nfs/dbraw/zinc/01/77/89/846017789.db2.gz KGCKLKLLMYUXKL-MGPQQGTHSA-N 2 1 369.491 -0.015 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277888896 846018739 /nfs/dbraw/zinc/01/87/39/846018739.db2.gz CVSGZMYYAOQANW-DDUZABMNSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277888897 846018980 /nfs/dbraw/zinc/01/89/80/846018980.db2.gz CVSGZMYYAOQANW-QIIPPGSGSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001277888974 846018713 /nfs/dbraw/zinc/01/87/13/846018713.db2.gz FLWAPZLDNVBYIQ-SIIHOXLZSA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001277888974 846018711 /nfs/dbraw/zinc/01/87/11/846018711.db2.gz FLWAPZLDNVBYIQ-SIIHOXLZSA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001277888975 846018635 /nfs/dbraw/zinc/01/86/35/846018635.db2.gz FLWAPZLDNVBYIQ-XUWXXGDYSA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001277888975 846018629 /nfs/dbraw/zinc/01/86/29/846018629.db2.gz FLWAPZLDNVBYIQ-XUWXXGDYSA-N 2 1 350.463 -0.746 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[N@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277889541 846020611 /nfs/dbraw/zinc/02/06/11/846020611.db2.gz KKFBPHMPHBJBKH-CABCVRRESA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[N@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277889543 846020465 /nfs/dbraw/zinc/02/04/65/846020465.db2.gz KKFBPHMPHBJBKH-GJZGRUSLSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[N@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277889545 846020494 /nfs/dbraw/zinc/02/04/94/846020494.db2.gz KKFBPHMPHBJBKH-HUUCEWRRSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[N@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277889547 846020445 /nfs/dbraw/zinc/02/04/45/846020445.db2.gz KKFBPHMPHBJBKH-LSDHHAIUSA-N 2 1 350.463 -0.888 20 0 FBADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[N@H+]4CC[C@H](O)C4)(C2)C3)CC1 ZINC001277890335 846020049 /nfs/dbraw/zinc/02/00/49/846020049.db2.gz SAECRTCKAQRIHO-NNGSBXSVSA-N 2 1 350.463 -0.698 20 0 FBADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[N@@H+]4CC[C@H](O)C4)(C2)C3)CC1 ZINC001277890335 846020043 /nfs/dbraw/zinc/02/00/43/846020043.db2.gz SAECRTCKAQRIHO-NNGSBXSVSA-N 2 1 350.463 -0.698 20 0 FBADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[N@H+]4CC[C@@H](O)C4)(C2)C3)CC1 ZINC001277890336 846020125 /nfs/dbraw/zinc/02/01/25/846020125.db2.gz SAECRTCKAQRIHO-RWBZWWBESA-N 2 1 350.463 -0.698 20 0 FBADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[N@@H+]4CC[C@@H](O)C4)(C2)C3)CC1 ZINC001277890336 846020117 /nfs/dbraw/zinc/02/01/17/846020117.db2.gz SAECRTCKAQRIHO-RWBZWWBESA-N 2 1 350.463 -0.698 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001278084863 846037419 /nfs/dbraw/zinc/03/74/19/846037419.db2.gz HCTNUXXBJKLSIE-GRYCIOLGSA-N 2 1 368.400 -0.586 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001278084864 846037650 /nfs/dbraw/zinc/03/76/50/846037650.db2.gz HCTNUXXBJKLSIE-IJLUTSLNSA-N 2 1 368.400 -0.586 20 0 FBADMP COCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278206582 846055428 /nfs/dbraw/zinc/05/54/28/846055428.db2.gz CTVATDWCBWVYJO-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP COCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278206585 846055847 /nfs/dbraw/zinc/05/58/47/846055847.db2.gz CTVATDWCBWVYJO-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001278395167 846090522 /nfs/dbraw/zinc/09/05/22/846090522.db2.gz HFMDHPPQXPXRQA-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001278395167 846090520 /nfs/dbraw/zinc/09/05/20/846090520.db2.gz HFMDHPPQXPXRQA-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001278395167 846090518 /nfs/dbraw/zinc/09/05/18/846090518.db2.gz HFMDHPPQXPXRQA-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001278395167 846090512 /nfs/dbraw/zinc/09/05/12/846090512.db2.gz HFMDHPPQXPXRQA-LZWOXQAQSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001278395168 846090664 /nfs/dbraw/zinc/09/06/64/846090664.db2.gz HFMDHPPQXPXRQA-SQWLQELKSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCNS(C)(=O)=O)C2)CC[NH+]1C ZINC001278395168 846090657 /nfs/dbraw/zinc/09/06/57/846090657.db2.gz HFMDHPPQXPXRQA-SQWLQELKSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001278395168 846090651 /nfs/dbraw/zinc/09/06/51/846090651.db2.gz HFMDHPPQXPXRQA-SQWLQELKSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001278395168 846090646 /nfs/dbraw/zinc/09/06/46/846090646.db2.gz HFMDHPPQXPXRQA-SQWLQELKSA-N 2 1 360.524 -0.154 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC(=O)N2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278472658 846110355 /nfs/dbraw/zinc/11/03/55/846110355.db2.gz UBYGLCWIGMNCEJ-CRAIPNDOSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(=O)N2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278472659 846110150 /nfs/dbraw/zinc/11/01/50/846110150.db2.gz UBYGLCWIGMNCEJ-MAUKXSAKSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC(=O)N2)C[C@]2(CCCC(=O)N2)C1 ZINC001278472660 846110092 /nfs/dbraw/zinc/11/00/92/846110092.db2.gz UBYGLCWIGMNCEJ-QAPCUYQASA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(=O)N2)C[C@]2(CCCC(=O)N2)C1 ZINC001278472661 846110056 /nfs/dbraw/zinc/11/00/56/846110056.db2.gz UBYGLCWIGMNCEJ-YJBOKZPZSA-N 2 1 351.495 -0.517 20 0 FBADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(=O)N(C)C)CC3)[C@H]2C1 ZINC001278480209 846112523 /nfs/dbraw/zinc/11/25/23/846112523.db2.gz LQCZBARBSREWAS-GJZGRUSLSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(=O)N(C)C)CC3)[C@H]2C1 ZINC001278480209 846112517 /nfs/dbraw/zinc/11/25/17/846112517.db2.gz LQCZBARBSREWAS-GJZGRUSLSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC001278480211 846112659 /nfs/dbraw/zinc/11/26/59/846112659.db2.gz LQCZBARBSREWAS-HUUCEWRRSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC001278480211 846112657 /nfs/dbraw/zinc/11/26/57/846112657.db2.gz LQCZBARBSREWAS-HUUCEWRRSA-N 2 1 351.495 -0.851 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001278497649 846117513 /nfs/dbraw/zinc/11/75/13/846117513.db2.gz DJDRVAARKQAQGG-AHIWAGSCSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001278497650 846117389 /nfs/dbraw/zinc/11/73/89/846117389.db2.gz DJDRVAARKQAQGG-OGHNNQOOSA-N 2 1 353.467 -0.260 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001278644734 846176444 /nfs/dbraw/zinc/17/64/44/846176444.db2.gz JFMCGZILYNSBCR-JHJVBQTASA-N 2 1 353.467 -0.391 20 0 FBADMP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001278644736 846175915 /nfs/dbraw/zinc/17/59/15/846175915.db2.gz JFMCGZILYNSBCR-UPJWGTAASA-N 2 1 353.467 -0.391 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCOCC2)CC[N@H+]1C ZINC001278707657 846213555 /nfs/dbraw/zinc/21/35/55/846213555.db2.gz QJHGNZUUMMNUJO-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ncnn3C)CCOCC2)CC[N@H+]1C ZINC001278707931 846214545 /nfs/dbraw/zinc/21/45/45/846214545.db2.gz XSYJYRFBSFERRC-ZIAGYGMSSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ncnn3C)CCOCC2)CC[N@@H+]1C ZINC001278707931 846214539 /nfs/dbraw/zinc/21/45/39/846214539.db2.gz XSYJYRFBSFERRC-ZIAGYGMSSA-N 2 1 350.467 -0.090 20 0 FBADMP CCCn1nnnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756895 846241512 /nfs/dbraw/zinc/24/15/12/846241512.db2.gz WOOQYYGNKFRGFG-HZSPNIEDSA-N 2 1 353.471 -0.668 20 0 FBADMP CCCn1nnnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756895 846241499 /nfs/dbraw/zinc/24/14/99/846241499.db2.gz WOOQYYGNKFRGFG-HZSPNIEDSA-N 2 1 353.471 -0.668 20 0 FBADMP CCCn1nnnc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756895 846241495 /nfs/dbraw/zinc/24/14/95/846241495.db2.gz WOOQYYGNKFRGFG-HZSPNIEDSA-N 2 1 353.471 -0.668 20 0 FBADMP CCCn1nnnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756896 846241803 /nfs/dbraw/zinc/24/18/03/846241803.db2.gz WOOQYYGNKFRGFG-MGPQQGTHSA-N 2 1 353.471 -0.668 20 0 FBADMP CCCn1nnnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756896 846241795 /nfs/dbraw/zinc/24/17/95/846241795.db2.gz WOOQYYGNKFRGFG-MGPQQGTHSA-N 2 1 353.471 -0.668 20 0 FBADMP CCCn1nnnc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756896 846241790 /nfs/dbraw/zinc/24/17/90/846241790.db2.gz WOOQYYGNKFRGFG-MGPQQGTHSA-N 2 1 353.471 -0.668 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854973 846301738 /nfs/dbraw/zinc/30/17/38/846301738.db2.gz KIUHVBNWBYANNJ-QLFBSQMISA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854973 846301724 /nfs/dbraw/zinc/30/17/24/846301724.db2.gz KIUHVBNWBYANNJ-QLFBSQMISA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001278854973 846301712 /nfs/dbraw/zinc/30/17/12/846301712.db2.gz KIUHVBNWBYANNJ-QLFBSQMISA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278854973 846301704 /nfs/dbraw/zinc/30/17/04/846301704.db2.gz KIUHVBNWBYANNJ-QLFBSQMISA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854974 846300813 /nfs/dbraw/zinc/30/08/13/846300813.db2.gz KIUHVBNWBYANNJ-RBSFLKMASA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854974 846300801 /nfs/dbraw/zinc/30/08/01/846300801.db2.gz KIUHVBNWBYANNJ-RBSFLKMASA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001278854974 846300790 /nfs/dbraw/zinc/30/07/90/846300790.db2.gz KIUHVBNWBYANNJ-RBSFLKMASA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278854974 846300776 /nfs/dbraw/zinc/30/07/76/846300776.db2.gz KIUHVBNWBYANNJ-RBSFLKMASA-N 2 1 356.511 -0.008 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001278855276 846301354 /nfs/dbraw/zinc/30/13/54/846301354.db2.gz OJLXIGBHDFZUBX-QLFBSQMISA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001278855276 846301348 /nfs/dbraw/zinc/30/13/48/846301348.db2.gz OJLXIGBHDFZUBX-QLFBSQMISA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCS(C)(=O)=O)CC[N@H+]1C ZINC001278855276 846301341 /nfs/dbraw/zinc/30/13/41/846301341.db2.gz OJLXIGBHDFZUBX-QLFBSQMISA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001278855276 846301332 /nfs/dbraw/zinc/30/13/32/846301332.db2.gz OJLXIGBHDFZUBX-QLFBSQMISA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001278855277 846301106 /nfs/dbraw/zinc/30/11/06/846301106.db2.gz OJLXIGBHDFZUBX-RBSFLKMASA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001278855277 846301100 /nfs/dbraw/zinc/30/11/00/846301100.db2.gz OJLXIGBHDFZUBX-RBSFLKMASA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCS(C)(=O)=O)CC[N@H+]1C ZINC001278855277 846301089 /nfs/dbraw/zinc/30/10/89/846301089.db2.gz OJLXIGBHDFZUBX-RBSFLKMASA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001278855277 846301078 /nfs/dbraw/zinc/30/10/78/846301078.db2.gz OJLXIGBHDFZUBX-RBSFLKMASA-N 2 1 363.524 -0.488 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001278855389 846301012 /nfs/dbraw/zinc/30/10/12/846301012.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 2 1 355.483 -0.897 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001278855389 846301006 /nfs/dbraw/zinc/30/10/06/846301006.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 2 1 355.483 -0.897 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC001278855389 846300995 /nfs/dbraw/zinc/30/09/95/846300995.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 2 1 355.483 -0.897 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001278855390 846301186 /nfs/dbraw/zinc/30/11/86/846301186.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 2 1 355.483 -0.897 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001278855390 846301178 /nfs/dbraw/zinc/30/11/78/846301178.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 2 1 355.483 -0.897 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC001278855390 846301173 /nfs/dbraw/zinc/30/11/73/846301173.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 2 1 355.483 -0.897 20 0 FBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001279044940 846389019 /nfs/dbraw/zinc/38/90/19/846389019.db2.gz NVWDLXKNUDURAH-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001279044940 846389005 /nfs/dbraw/zinc/38/90/05/846389005.db2.gz NVWDLXKNUDURAH-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001279044940 846388995 /nfs/dbraw/zinc/38/89/95/846388995.db2.gz NVWDLXKNUDURAH-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001279044940 846388983 /nfs/dbraw/zinc/38/89/83/846388983.db2.gz NVWDLXKNUDURAH-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001279044942 846388267 /nfs/dbraw/zinc/38/82/67/846388267.db2.gz NVWDLXKNUDURAH-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001279044942 846388260 /nfs/dbraw/zinc/38/82/60/846388260.db2.gz NVWDLXKNUDURAH-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001279044942 846388248 /nfs/dbraw/zinc/38/82/48/846388248.db2.gz NVWDLXKNUDURAH-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001279044942 846388236 /nfs/dbraw/zinc/38/82/36/846388236.db2.gz NVWDLXKNUDURAH-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001279239276 846889456 /nfs/dbraw/zinc/88/94/56/846889456.db2.gz KWKMDAXCXHAFEO-ZOFXXKQRSA-N 2 1 357.495 -0.430 20 0 FBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001279239644 846889377 /nfs/dbraw/zinc/88/93/77/846889377.db2.gz NRHRBCBFBURLMM-BPKGMFCQSA-N 2 1 357.495 -0.573 20 0 FBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)[C@@H]2C1 ZINC001279240417 846889718 /nfs/dbraw/zinc/88/97/18/846889718.db2.gz XPVDZOMROTYBQG-JZAWBGDQSA-N 2 1 357.495 -0.573 20 0 FBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001279240632 846889289 /nfs/dbraw/zinc/88/92/89/846889289.db2.gz XTYBSUOSEKPTRC-BPKGMFCQSA-N 2 1 357.495 -0.430 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(CN(C(=O)C[NH+]4CCC4)C3)O2)CC1 ZINC001279240687 836043479 /nfs/dbraw/zinc/04/34/79/836043479.db2.gz ZXDNEACGWLATJL-HNNXBMFYSA-N 2 1 350.463 -0.338 20 0 FBADMP C[NH+]1CCC(NC(=O)[C@H]2CCC3(CN(C(=O)C[NH+]4CCC4)C3)O2)CC1 ZINC001279240688 836043763 /nfs/dbraw/zinc/04/37/63/836043763.db2.gz ZXDNEACGWLATJL-OAHLLOKOSA-N 2 1 350.463 -0.338 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001279431669 846901991 /nfs/dbraw/zinc/90/19/91/846901991.db2.gz QMEMNDUUBLLYNR-BMFZPTHFSA-N 2 1 351.495 -0.615 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001279431670 846902525 /nfs/dbraw/zinc/90/25/25/846902525.db2.gz QMEMNDUUBLLYNR-FVQBIDKESA-N 2 1 351.495 -0.615 20 0 FBADMP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001279477582 846904572 /nfs/dbraw/zinc/90/45/72/846904572.db2.gz VHOWXWSUQWBLPW-GASCZTMLSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001279477582 846904566 /nfs/dbraw/zinc/90/45/66/846904566.db2.gz VHOWXWSUQWBLPW-GASCZTMLSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@H]21 ZINC001279477665 846904172 /nfs/dbraw/zinc/90/41/72/846904172.db2.gz YSQYSZDWDYKFNB-CABCVRRESA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@@H]21 ZINC001279477666 846904247 /nfs/dbraw/zinc/90/42/47/846904247.db2.gz YSQYSZDWDYKFNB-GJZGRUSLSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001279483126 846905043 /nfs/dbraw/zinc/90/50/43/846905043.db2.gz ANUMBEPSNAEWRX-GJZGRUSLSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001279483126 846905039 /nfs/dbraw/zinc/90/50/39/846905039.db2.gz ANUMBEPSNAEWRX-GJZGRUSLSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001279483126 846905031 /nfs/dbraw/zinc/90/50/31/846905031.db2.gz ANUMBEPSNAEWRX-GJZGRUSLSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001279483127 846904466 /nfs/dbraw/zinc/90/44/66/846904466.db2.gz ANUMBEPSNAEWRX-HUUCEWRRSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001279483127 846904453 /nfs/dbraw/zinc/90/44/53/846904453.db2.gz ANUMBEPSNAEWRX-HUUCEWRRSA-N 2 1 351.495 -0.851 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001279483127 846904450 /nfs/dbraw/zinc/90/44/50/846904450.db2.gz ANUMBEPSNAEWRX-HUUCEWRRSA-N 2 1 351.495 -0.851 20 0 FBADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001279484057 846904990 /nfs/dbraw/zinc/90/49/90/846904990.db2.gz LPTFAZVIIVSTTP-HOTGVXAUSA-N 2 1 354.495 -0.319 20 0 FBADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001279484058 846904861 /nfs/dbraw/zinc/90/48/61/846904861.db2.gz LPTFAZVIIVSTTP-HZPDHXFCSA-N 2 1 354.495 -0.319 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001279488847 846906532 /nfs/dbraw/zinc/90/65/32/846906532.db2.gz AHUPJTSTRFNPLS-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001279488848 846905857 /nfs/dbraw/zinc/90/58/57/846905857.db2.gz AHUPJTSTRFNPLS-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001279489955 846905616 /nfs/dbraw/zinc/90/56/16/846905616.db2.gz JABLKEFLDLKUNR-DDUZABMNSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001279489956 846905675 /nfs/dbraw/zinc/90/56/75/846905675.db2.gz JABLKEFLDLKUNR-SIIHOXLZSA-N 2 1 352.479 -0.452 20 0 FBADMP COCCOCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001279491358 846906850 /nfs/dbraw/zinc/90/68/50/846906850.db2.gz RCYMLTHOULINDN-JFIYKMOQSA-N 2 1 357.495 -0.067 20 0 FBADMP COCCOCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001279491361 846906719 /nfs/dbraw/zinc/90/67/19/846906719.db2.gz RCYMLTHOULINDN-NUJGCVRESA-N 2 1 357.495 -0.067 20 0 FBADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)N(C)C)CC1 ZINC001279501556 846906168 /nfs/dbraw/zinc/90/61/68/846906168.db2.gz ILZQKKIIFPFCKQ-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)N(C)C)CC1 ZINC001279501556 846906158 /nfs/dbraw/zinc/90/61/58/846906158.db2.gz ILZQKKIIFPFCKQ-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CN(S(=O)(=O)N(C)C)C[C@H](C2)O3)CC1 ZINC001279501817 846905811 /nfs/dbraw/zinc/90/58/11/846905811.db2.gz KLEHTKQAAPYNOO-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)N(C)C)C[C@H](C2)O3)CC1 ZINC001279501817 846905806 /nfs/dbraw/zinc/90/58/06/846905806.db2.gz KLEHTKQAAPYNOO-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3S(=O)(=O)N(C)C)CC1 ZINC001279502780 846906284 /nfs/dbraw/zinc/90/62/84/846906284.db2.gz XAOJDJXFTUPTSK-CVEARBPZSA-N 2 1 360.524 -0.090 20 0 FBADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3OCCN(S(=O)(=O)N(C)C)[C@H]3C2)CC1 ZINC001279502781 846906617 /nfs/dbraw/zinc/90/66/17/846906617.db2.gz XAOJDJXFTUPTSK-HOTGVXAUSA-N 2 1 360.524 -0.090 20 0 FBADMP COC(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12)OC ZINC001279586871 846914915 /nfs/dbraw/zinc/91/49/15/846914915.db2.gz IIJQWDOMJFTIGD-GJZGRUSLSA-N 2 1 354.495 -0.321 20 0 FBADMP COC(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12)OC ZINC001279586875 846915242 /nfs/dbraw/zinc/91/52/42/846915242.db2.gz IIJQWDOMJFTIGD-HUUCEWRRSA-N 2 1 354.495 -0.321 20 0 FBADMP Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@@H](C2)O3)c1 ZINC001279614736 846917544 /nfs/dbraw/zinc/91/75/44/846917544.db2.gz BIDUFLRKZWMYRF-GASCZTMLSA-N 2 1 369.491 -0.507 20 0 FBADMP Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@@H](C2)O3)c1 ZINC001279614736 846917535 /nfs/dbraw/zinc/91/75/35/846917535.db2.gz BIDUFLRKZWMYRF-GASCZTMLSA-N 2 1 369.491 -0.507 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615173 846917488 /nfs/dbraw/zinc/91/74/88/846917488.db2.gz MDFRAICJPIVAIF-INIZCTEOSA-N 2 1 360.524 -0.041 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615174 846917652 /nfs/dbraw/zinc/91/76/52/846917652.db2.gz MDFRAICJPIVAIF-MRXNPFEDSA-N 2 1 360.524 -0.041 20 0 FBADMP Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]32)c1 ZINC001279615515 846917239 /nfs/dbraw/zinc/91/72/39/846917239.db2.gz SIFDKSDYVPQQRG-CABCVRRESA-N 2 1 369.491 -0.507 20 0 FBADMP Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@@H]32)c1 ZINC001279615516 846917196 /nfs/dbraw/zinc/91/71/96/846917196.db2.gz SIFDKSDYVPQQRG-GJZGRUSLSA-N 2 1 369.491 -0.507 20 0 FBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC001279616470 846918183 /nfs/dbraw/zinc/91/81/83/846918183.db2.gz KUUCLPMXDYKYIF-IRXDYDNUSA-N 2 1 374.551 -0.395 20 0 FBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC001279616471 846918757 /nfs/dbraw/zinc/91/87/57/846918757.db2.gz KUUCLPMXDYKYIF-SJORKVTESA-N 2 1 374.551 -0.395 20 0 FBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H](C1)O2 ZINC001279617377 846918450 /nfs/dbraw/zinc/91/84/50/846918450.db2.gz ZOLBOILBMGQDHT-CALCHBBNSA-N 2 1 374.551 -0.395 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001279619410 846918493 /nfs/dbraw/zinc/91/84/93/846918493.db2.gz AXNRKWGROGKWTC-CVEARBPZSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@H]21 ZINC001279619411 846918433 /nfs/dbraw/zinc/91/84/33/846918433.db2.gz AXNRKWGROGKWTC-HOTGVXAUSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001279620575 846918624 /nfs/dbraw/zinc/91/86/24/846918624.db2.gz NOGDNRCJEXUIIV-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001279620575 846918618 /nfs/dbraw/zinc/91/86/18/846918618.db2.gz NOGDNRCJEXUIIV-IYBDPMFKSA-N 2 1 360.524 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001279716393 846922225 /nfs/dbraw/zinc/92/22/25/846922225.db2.gz AMCCVDVVWMBIIQ-GDBMZVCRSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001279716436 846923335 /nfs/dbraw/zinc/92/33/35/846923335.db2.gz CEINEAZHNLHCHH-VXGBXAGGSA-N 2 1 370.479 -0.773 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC001279716899 846923091 /nfs/dbraw/zinc/92/30/91/846923091.db2.gz HALOMAKSEKFBNT-TZMCWYRMSA-N 2 1 351.455 -0.741 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC001279716899 846923080 /nfs/dbraw/zinc/92/30/80/846923080.db2.gz HALOMAKSEKFBNT-TZMCWYRMSA-N 2 1 351.455 -0.741 20 0 FBADMP COCC[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279721502 846922769 /nfs/dbraw/zinc/92/27/69/846922769.db2.gz VJXFWEUPFYWIRA-UONOGXRCSA-N 2 1 350.423 -0.284 20 0 FBADMP COCC[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279721502 846922763 /nfs/dbraw/zinc/92/27/63/846922763.db2.gz VJXFWEUPFYWIRA-UONOGXRCSA-N 2 1 350.423 -0.284 20 0 FBADMP COCC[N@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001279723101 846923218 /nfs/dbraw/zinc/92/32/18/846923218.db2.gz VXHUMONBGNEXIR-CYBMUJFWSA-N 2 1 350.467 -0.005 20 0 FBADMP COCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001279723101 846923204 /nfs/dbraw/zinc/92/32/04/846923204.db2.gz VXHUMONBGNEXIR-CYBMUJFWSA-N 2 1 350.467 -0.005 20 0 FBADMP COCC[N@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279723102 846923506 /nfs/dbraw/zinc/92/35/06/846923506.db2.gz VXHUMONBGNEXIR-ZDUSSCGKSA-N 2 1 350.467 -0.005 20 0 FBADMP COCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279723102 846923503 /nfs/dbraw/zinc/92/35/03/846923503.db2.gz VXHUMONBGNEXIR-ZDUSSCGKSA-N 2 1 350.467 -0.005 20 0 FBADMP COC(=O)CCC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001279884085 846940724 /nfs/dbraw/zinc/94/07/24/846940724.db2.gz KTBSQQODTNFOHR-UONOGXRCSA-N 2 1 352.435 -0.163 20 0 FBADMP COC(=O)CCC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001279884085 846940723 /nfs/dbraw/zinc/94/07/23/846940723.db2.gz KTBSQQODTNFOHR-UONOGXRCSA-N 2 1 352.435 -0.163 20 0 FBADMP CN(C)C(=O)C[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279913871 846945153 /nfs/dbraw/zinc/94/51/53/846945153.db2.gz JYUUPUJVSDVAJP-HNNXBMFYSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)C[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279913872 846945277 /nfs/dbraw/zinc/94/52/77/846945277.db2.gz JYUUPUJVSDVAJP-OAHLLOKOSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279914527 846946416 /nfs/dbraw/zinc/94/64/16/846946416.db2.gz RWHUTSCDWRIJAQ-BMFZPTHFSA-N 2 1 352.479 -0.236 20 0 FBADMP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279914528 846946509 /nfs/dbraw/zinc/94/65/09/846946509.db2.gz RWHUTSCDWRIJAQ-KBMXLJTQSA-N 2 1 352.479 -0.236 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959018 /nfs/dbraw/zinc/95/90/18/846959018.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 2 1 352.479 -0.423 20 0 FBADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959016 /nfs/dbraw/zinc/95/90/16/846959016.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 2 1 352.479 -0.423 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959008 /nfs/dbraw/zinc/95/90/08/846959008.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 2 1 352.479 -0.423 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280024703 846960285 /nfs/dbraw/zinc/96/02/85/846960285.db2.gz XWGAJKAIKMFVNZ-GOSISDBHSA-N 2 1 354.495 -0.426 20 0 FBADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280024703 846960274 /nfs/dbraw/zinc/96/02/74/846960274.db2.gz XWGAJKAIKMFVNZ-GOSISDBHSA-N 2 1 354.495 -0.426 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280024704 846960166 /nfs/dbraw/zinc/96/01/66/846960166.db2.gz XWGAJKAIKMFVNZ-SFHVURJKSA-N 2 1 354.495 -0.426 20 0 FBADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280024704 846960158 /nfs/dbraw/zinc/96/01/58/846960158.db2.gz XWGAJKAIKMFVNZ-SFHVURJKSA-N 2 1 354.495 -0.426 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029015 846962253 /nfs/dbraw/zinc/96/22/53/846962253.db2.gz SQBOIEWABLFXPY-AEFFLSMTSA-N 2 1 354.495 -0.380 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029016 846962514 /nfs/dbraw/zinc/96/25/14/846962514.db2.gz SQBOIEWABLFXPY-FUHWJXTLSA-N 2 1 354.495 -0.380 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029017 846962054 /nfs/dbraw/zinc/96/20/54/846962054.db2.gz SQBOIEWABLFXPY-SJLPKXTDSA-N 2 1 354.495 -0.380 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029018 846962599 /nfs/dbraw/zinc/96/25/99/846962599.db2.gz SQBOIEWABLFXPY-WMZOPIPTSA-N 2 1 354.495 -0.380 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](CC(=O)NC2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280073625 846970794 /nfs/dbraw/zinc/97/07/94/846970794.db2.gz GGYRHJVGQQSQOX-GOSISDBHSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@H+](CC(=O)NC2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280073625 846970785 /nfs/dbraw/zinc/97/07/85/846970785.db2.gz GGYRHJVGQQSQOX-GOSISDBHSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@@H+](CC(=O)NC2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280073626 846971433 /nfs/dbraw/zinc/97/14/33/846971433.db2.gz GGYRHJVGQQSQOX-SFHVURJKSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCN1CC[N@H+](CC(=O)NC2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280073626 846971426 /nfs/dbraw/zinc/97/14/26/846971426.db2.gz GGYRHJVGQQSQOX-SFHVURJKSA-N 2 1 351.495 -0.517 20 0 FBADMP CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)CC1 ZINC001280073899 846971465 /nfs/dbraw/zinc/97/14/65/846971465.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)CC1 ZINC001280073899 846971463 /nfs/dbraw/zinc/97/14/63/846971463.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCN(C)CC3)C[C@H]2CC1 ZINC001280073899 846971461 /nfs/dbraw/zinc/97/14/61/846971461.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(C)CC3)C[C@H]2CC1 ZINC001280073899 846971459 /nfs/dbraw/zinc/97/14/59/846971459.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C)CC3)C[C@H]2CC1 ZINC001280073899 846971455 /nfs/dbraw/zinc/97/14/55/846971455.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 1 351.539 -0.034 20 0 FBADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CC[NH+](C)CC1 ZINC001280073993 846970837 /nfs/dbraw/zinc/97/08/37/846970837.db2.gz MBSVRNDPEDWGFY-ALOPSCKCSA-N 2 1 354.495 -0.034 20 0 FBADMP CN(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280074319 846972190 /nfs/dbraw/zinc/97/21/90/846972190.db2.gz CLFZUVHCPFGDTK-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280074320 846972148 /nfs/dbraw/zinc/97/21/48/846972148.db2.gz CLFZUVHCPFGDTK-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CNC(=O)C(C)(C)[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280077654 846973275 /nfs/dbraw/zinc/97/32/75/846973275.db2.gz XLMDGQIRJCCMNR-GOSISDBHSA-N 2 1 353.511 -0.271 20 0 FBADMP CNC(=O)C(C)(C)[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280077654 846973267 /nfs/dbraw/zinc/97/32/67/846973267.db2.gz XLMDGQIRJCCMNR-GOSISDBHSA-N 2 1 353.511 -0.271 20 0 FBADMP CNC(=O)C(C)(C)[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280077655 846973340 /nfs/dbraw/zinc/97/33/40/846973340.db2.gz XLMDGQIRJCCMNR-SFHVURJKSA-N 2 1 353.511 -0.271 20 0 FBADMP CNC(=O)C(C)(C)[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280077655 846973337 /nfs/dbraw/zinc/97/33/37/846973337.db2.gz XLMDGQIRJCCMNR-SFHVURJKSA-N 2 1 353.511 -0.271 20 0 FBADMP CCOC(=O)CC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280091592 846975898 /nfs/dbraw/zinc/97/58/98/846975898.db2.gz VXBGFHOZSGHSOB-UONOGXRCSA-N 2 1 352.435 -0.163 20 0 FBADMP CCOC(=O)CC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280091592 846975889 /nfs/dbraw/zinc/97/58/89/846975889.db2.gz VXBGFHOZSGHSOB-UONOGXRCSA-N 2 1 352.435 -0.163 20 0 FBADMP CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280125931 846977850 /nfs/dbraw/zinc/97/78/50/846977850.db2.gz PVWVJGCDHHVWCM-UONOGXRCSA-N 2 1 351.451 -0.781 20 0 FBADMP CN(C)C(=O)CNC(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH+](C)CC3)C2)O1 ZINC001280126657 846978043 /nfs/dbraw/zinc/97/80/43/846978043.db2.gz XZHSMUQMMQKVMY-HNNXBMFYSA-N 2 1 352.479 -0.234 20 0 FBADMP CN(C)C(=O)CNC(=O)[C@H]1CCC2(C[NH+](CC3CC[NH+](C)CC3)C2)O1 ZINC001280126658 846977878 /nfs/dbraw/zinc/97/78/78/846977878.db2.gz XZHSMUQMMQKVMY-OAHLLOKOSA-N 2 1 352.479 -0.234 20 0 FBADMP CS(=O)(=O)CCNC(=O)C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137261 846980096 /nfs/dbraw/zinc/98/00/96/846980096.db2.gz ITYIZSHGAAKPQL-OAGGEKHMSA-N 2 1 373.519 -0.374 20 0 FBADMP CS(=O)(=O)CCNC(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137264 846980459 /nfs/dbraw/zinc/98/04/59/846980459.db2.gz ITYIZSHGAAKPQL-PMPSAXMXSA-N 2 1 373.519 -0.374 20 0 FBADMP CN(C)C(=O)CNC(=O)C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137622 846980532 /nfs/dbraw/zinc/98/05/32/846980532.db2.gz LVEMYFJQIFUKTK-OAGGEKHMSA-N 2 1 352.479 -0.330 20 0 FBADMP CN(C)C(=O)CNC(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137624 846980597 /nfs/dbraw/zinc/98/05/97/846980597.db2.gz LVEMYFJQIFUKTK-PMPSAXMXSA-N 2 1 352.479 -0.330 20 0 FBADMP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280152273 846982576 /nfs/dbraw/zinc/98/25/76/846982576.db2.gz QXFOIVUTSIYRHV-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280152275 846982170 /nfs/dbraw/zinc/98/21/70/846982170.db2.gz QXFOIVUTSIYRHV-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280153999 846982850 /nfs/dbraw/zinc/98/28/50/846982850.db2.gz BTUVPOUVVKXLNR-GJZGRUSLSA-N 2 1 352.479 -0.377 20 0 FBADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280154000 846982704 /nfs/dbraw/zinc/98/27/04/846982704.db2.gz BTUVPOUVVKXLNR-HUUCEWRRSA-N 2 1 352.479 -0.377 20 0 FBADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280173361 846985600 /nfs/dbraw/zinc/98/56/00/846985600.db2.gz LTDUVVZBHARNGI-HOTGVXAUSA-N 2 1 351.495 -0.804 20 0 FBADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280173362 846985761 /nfs/dbraw/zinc/98/57/61/846985761.db2.gz LTDUVVZBHARNGI-HZPDHXFCSA-N 2 1 351.495 -0.804 20 0 FBADMP Cc1ncsc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001280193179 846988188 /nfs/dbraw/zinc/98/81/88/846988188.db2.gz FPZZFGDVQLTLFO-CHWSQXEVSA-N 2 1 363.487 -0.051 20 0 FBADMP Cc1ncsc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001280193179 846988183 /nfs/dbraw/zinc/98/81/83/846988183.db2.gz FPZZFGDVQLTLFO-CHWSQXEVSA-N 2 1 363.487 -0.051 20 0 FBADMP Cc1ncsc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001280193180 846987931 /nfs/dbraw/zinc/98/79/31/846987931.db2.gz FPZZFGDVQLTLFO-STQMWFEESA-N 2 1 363.487 -0.051 20 0 FBADMP Cc1ncsc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001280193180 846987927 /nfs/dbraw/zinc/98/79/27/846987927.db2.gz FPZZFGDVQLTLFO-STQMWFEESA-N 2 1 363.487 -0.051 20 0 FBADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)CO)CC3)[C@@H]2C1 ZINC001280201524 846988718 /nfs/dbraw/zinc/98/87/18/846988718.db2.gz SMTNYSWSPTXCGH-ARFHVFGLSA-N 2 1 355.479 -0.252 20 0 FBADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)CO)CC3)[C@H]2C1 ZINC001280201525 846988798 /nfs/dbraw/zinc/98/87/98/846988798.db2.gz SMTNYSWSPTXCGH-JYJNAYRXSA-N 2 1 355.479 -0.252 20 0 FBADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280202208 846990315 /nfs/dbraw/zinc/99/03/15/846990315.db2.gz XPZCKZDGDCLIHP-KKUMJFAQSA-N 2 1 352.479 -0.785 20 0 FBADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280202209 846990018 /nfs/dbraw/zinc/99/00/18/846990018.db2.gz XPZCKZDGDCLIHP-RRFJBIMHSA-N 2 1 352.479 -0.785 20 0 FBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280213834 846993643 /nfs/dbraw/zinc/99/36/43/846993643.db2.gz TUKLVDZURHVZLS-GJZGRUSLSA-N 2 1 351.495 -0.804 20 0 FBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280213834 846993638 /nfs/dbraw/zinc/99/36/38/846993638.db2.gz TUKLVDZURHVZLS-GJZGRUSLSA-N 2 1 351.495 -0.804 20 0 FBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280213835 846993188 /nfs/dbraw/zinc/99/31/88/846993188.db2.gz TUKLVDZURHVZLS-HUUCEWRRSA-N 2 1 351.495 -0.804 20 0 FBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280213835 846993174 /nfs/dbraw/zinc/99/31/74/846993174.db2.gz TUKLVDZURHVZLS-HUUCEWRRSA-N 2 1 351.495 -0.804 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280213964 846993808 /nfs/dbraw/zinc/99/38/08/846993808.db2.gz UKPCLWIORCMNQB-KFWWJZLASA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280213964 846993802 /nfs/dbraw/zinc/99/38/02/846993802.db2.gz UKPCLWIORCMNQB-KFWWJZLASA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280213965 846993703 /nfs/dbraw/zinc/99/37/03/846993703.db2.gz UKPCLWIORCMNQB-KKUMJFAQSA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280213965 846993697 /nfs/dbraw/zinc/99/36/97/846993697.db2.gz UKPCLWIORCMNQB-KKUMJFAQSA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280213966 846993283 /nfs/dbraw/zinc/99/32/83/846993283.db2.gz UKPCLWIORCMNQB-RBSFLKMASA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280213966 846993278 /nfs/dbraw/zinc/99/32/78/846993278.db2.gz UKPCLWIORCMNQB-RBSFLKMASA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280213967 846993569 /nfs/dbraw/zinc/99/35/69/846993569.db2.gz UKPCLWIORCMNQB-SOUVJXGZSA-N 2 1 351.495 -0.676 20 0 FBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280213967 846993566 /nfs/dbraw/zinc/99/35/66/846993566.db2.gz UKPCLWIORCMNQB-SOUVJXGZSA-N 2 1 351.495 -0.676 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCN(CCC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280220645 846994737 /nfs/dbraw/zinc/99/47/37/846994737.db2.gz HLLAGMCRYBMDPW-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CCN(CCC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280220645 846994736 /nfs/dbraw/zinc/99/47/36/846994736.db2.gz HLLAGMCRYBMDPW-GOSISDBHSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)C[N@H+]1CCN(CCC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280220647 846994899 /nfs/dbraw/zinc/99/48/99/846994899.db2.gz HLLAGMCRYBMDPW-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)C[N@@H+]1CCN(CCC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280220647 846994896 /nfs/dbraw/zinc/99/48/96/846994896.db2.gz HLLAGMCRYBMDPW-SFHVURJKSA-N 2 1 353.511 -0.317 20 0 FBADMP CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280245322 846996729 /nfs/dbraw/zinc/99/67/29/846996729.db2.gz FHKFSSTUHXZUCT-IRXDYDNUSA-N 2 1 353.511 -0.903 20 0 FBADMP CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280245421 846996678 /nfs/dbraw/zinc/99/66/78/846996678.db2.gz FHKFSSTUHXZUCT-SJORKVTESA-N 2 1 353.511 -0.903 20 0 FBADMP CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001280245751 846997314 /nfs/dbraw/zinc/99/73/14/846997314.db2.gz JTQCIXUDNHCUSK-HOTGVXAUSA-N 2 1 359.540 -0.421 20 0 FBADMP COCCOCN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280246007 846997259 /nfs/dbraw/zinc/99/72/59/846997259.db2.gz OLXBOOBDEDLDLA-MSOLQXFVSA-N 2 1 356.511 -0.371 20 0 FBADMP COCCOCN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280246008 846997110 /nfs/dbraw/zinc/99/71/10/846997110.db2.gz OLXBOOBDEDLDLA-ROUUACIJSA-N 2 1 356.511 -0.371 20 0 FBADMP CN(C)C(=O)CN1[C@H]2COC[C@@H]1C[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246165 846996956 /nfs/dbraw/zinc/99/69/56/846996956.db2.gz RTDCLQBSWBTSSO-CALCHBBNSA-N 2 1 353.511 -0.903 20 0 FBADMP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246420 846996875 /nfs/dbraw/zinc/99/68/75/846996875.db2.gz XZHVOOADPPTCBA-UHFFFAOYSA-N 2 1 373.567 -0.172 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CCC2)CC[N@H+]1C ZINC001280480104 847013510 /nfs/dbraw/zinc/01/35/10/847013510.db2.gz BBXANPBXKBMRRZ-CHWSQXEVSA-N 2 1 351.451 -0.493 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001280555867 847017583 /nfs/dbraw/zinc/01/75/83/847017583.db2.gz NBGPWLIDBUKUQR-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001280555964 847017770 /nfs/dbraw/zinc/01/77/70/847017770.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001280555964 847017758 /nfs/dbraw/zinc/01/77/58/847017758.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001280555964 847017748 /nfs/dbraw/zinc/01/77/48/847017748.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2(CCO)CN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001280556043 847017647 /nfs/dbraw/zinc/01/76/47/847017647.db2.gz AGNWMCOJHOPCII-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001280556414 847018127 /nfs/dbraw/zinc/01/81/27/847018127.db2.gz SLFOMGPNEDMZCL-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001280556414 847018118 /nfs/dbraw/zinc/01/81/18/847018118.db2.gz SLFOMGPNEDMZCL-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001280556414 847018111 /nfs/dbraw/zinc/01/81/11/847018111.db2.gz SLFOMGPNEDMZCL-QLFBSQMISA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001280556420 847018034 /nfs/dbraw/zinc/01/80/34/847018034.db2.gz SLFOMGPNEDMZCL-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001280556420 847018023 /nfs/dbraw/zinc/01/80/23/847018023.db2.gz SLFOMGPNEDMZCL-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001280556420 847018012 /nfs/dbraw/zinc/01/80/12/847018012.db2.gz SLFOMGPNEDMZCL-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001280564671 847019513 /nfs/dbraw/zinc/01/95/13/847019513.db2.gz WLUBQNDZGIODEU-LSDHHAIUSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280585561 847020179 /nfs/dbraw/zinc/02/01/79/847020179.db2.gz XWVPJBDIJAXTQV-BZUAXINKSA-N 2 1 354.495 -0.084 20 0 FBADMP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280585562 847020145 /nfs/dbraw/zinc/02/01/45/847020145.db2.gz XWVPJBDIJAXTQV-OWCLPIDISA-N 2 1 354.495 -0.084 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001280585599 847020588 /nfs/dbraw/zinc/02/05/88/847020588.db2.gz YRQYLQXRGVSHMP-QLFBSQMISA-N 2 1 361.508 -0.422 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001280585600 847020299 /nfs/dbraw/zinc/02/02/99/847020299.db2.gz YRQYLQXRGVSHMP-SOUVJXGZSA-N 2 1 361.508 -0.422 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001280814926 847023446 /nfs/dbraw/zinc/02/34/46/847023446.db2.gz VCQQFMOZPIVMNA-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001280814926 847023442 /nfs/dbraw/zinc/02/34/42/847023442.db2.gz VCQQFMOZPIVMNA-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001280814926 847023435 /nfs/dbraw/zinc/02/34/35/847023435.db2.gz VCQQFMOZPIVMNA-HZPDHXFCSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001280908923 847026242 /nfs/dbraw/zinc/02/62/42/847026242.db2.gz ZDCCILOTACSGCS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001280908923 847026238 /nfs/dbraw/zinc/02/62/38/847026238.db2.gz ZDCCILOTACSGCS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001280908923 847026228 /nfs/dbraw/zinc/02/62/28/847026228.db2.gz ZDCCILOTACSGCS-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001280908924 847025914 /nfs/dbraw/zinc/02/59/14/847025914.db2.gz ZDCCILOTACSGCS-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001280908924 847025906 /nfs/dbraw/zinc/02/59/06/847025906.db2.gz ZDCCILOTACSGCS-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001280908924 847025902 /nfs/dbraw/zinc/02/59/02/847025902.db2.gz ZDCCILOTACSGCS-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001281090330 847034445 /nfs/dbraw/zinc/03/44/45/847034445.db2.gz IENUVUNHFCLPTL-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001281090332 847034531 /nfs/dbraw/zinc/03/45/31/847034531.db2.gz IENUVUNHFCLPTL-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP COCCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001281121602 847040809 /nfs/dbraw/zinc/04/08/09/847040809.db2.gz UCRCMZQISBRXKR-JFIYKMOQSA-N 2 1 357.495 -0.067 20 0 FBADMP COCCOCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001281121603 847041254 /nfs/dbraw/zinc/04/12/54/847041254.db2.gz UCRCMZQISBRXKR-NUJGCVRESA-N 2 1 357.495 -0.067 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001281121636 847040738 /nfs/dbraw/zinc/04/07/38/847040738.db2.gz URKDDGZQGKQVKB-IIDMSEBBSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001281121637 847041074 /nfs/dbraw/zinc/04/10/74/847041074.db2.gz URKDDGZQGKQVKB-RKVPGOIHSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001281122188 847041546 /nfs/dbraw/zinc/04/15/46/847041546.db2.gz YFVJMLQMGDLGGC-DDUZABMNSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001281122189 847041366 /nfs/dbraw/zinc/04/13/66/847041366.db2.gz YFVJMLQMGDLGGC-SIIHOXLZSA-N 2 1 352.479 -0.452 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cnn(C)n3)CCOCC2)CC[N@H+]1C ZINC001281239986 847042613 /nfs/dbraw/zinc/04/26/13/847042613.db2.gz TZBNCIVXQLYOLJ-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cnn(C)n3)CCOCC2)CC[N@@H+]1C ZINC001281239986 847042603 /nfs/dbraw/zinc/04/26/03/847042603.db2.gz TZBNCIVXQLYOLJ-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001281577057 847056667 /nfs/dbraw/zinc/05/66/67/847056667.db2.gz FXHGROIIIRHXNJ-HYVNUMGLSA-N 2 1 354.495 -0.838 20 0 FBADMP COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001281577057 847056655 /nfs/dbraw/zinc/05/66/55/847056655.db2.gz FXHGROIIIRHXNJ-HYVNUMGLSA-N 2 1 354.495 -0.838 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001281622170 847066771 /nfs/dbraw/zinc/06/67/71/847066771.db2.gz FWKDYBDXNUXVGI-JKSUJKDBSA-N 2 1 352.479 -0.280 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001281624186 847066926 /nfs/dbraw/zinc/06/69/26/847066926.db2.gz KYQVQFBTUQEFRM-JKSUJKDBSA-N 2 1 354.495 -0.034 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001281632001 847069547 /nfs/dbraw/zinc/06/95/47/847069547.db2.gz QBZHGGRVQRJORZ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001281632001 847069541 /nfs/dbraw/zinc/06/95/41/847069541.db2.gz QBZHGGRVQRJORZ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281632001 847069535 /nfs/dbraw/zinc/06/95/35/847069535.db2.gz QBZHGGRVQRJORZ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281632001 847069527 /nfs/dbraw/zinc/06/95/27/847069527.db2.gz QBZHGGRVQRJORZ-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001281632002 847069403 /nfs/dbraw/zinc/06/94/03/847069403.db2.gz QBZHGGRVQRJORZ-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001281632002 847069397 /nfs/dbraw/zinc/06/93/97/847069397.db2.gz QBZHGGRVQRJORZ-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281632002 847069391 /nfs/dbraw/zinc/06/93/91/847069391.db2.gz QBZHGGRVQRJORZ-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281632002 847069383 /nfs/dbraw/zinc/06/93/83/847069383.db2.gz QBZHGGRVQRJORZ-XHSDSOJGSA-N 2 1 352.479 -0.282 20 0 FBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668523 847101075 /nfs/dbraw/zinc/10/10/75/847101075.db2.gz BADXFKPLKYSDLK-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668524 847100998 /nfs/dbraw/zinc/10/09/98/847100998.db2.gz BADXFKPLKYSDLK-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001281671223 847102419 /nfs/dbraw/zinc/10/24/19/847102419.db2.gz CICVCENMMUOBQA-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001281671224 847102318 /nfs/dbraw/zinc/10/23/18/847102318.db2.gz CICVCENMMUOBQA-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1O ZINC001281671249 847102645 /nfs/dbraw/zinc/10/26/45/847102645.db2.gz DKUPCELNJWJHSD-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1O ZINC001281671250 847102300 /nfs/dbraw/zinc/10/23/00/847102300.db2.gz DKUPCELNJWJHSD-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001281674846 847105878 /nfs/dbraw/zinc/10/58/78/847105878.db2.gz QODHXIHATKVDQO-KLHDSHLOSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001281674846 847105870 /nfs/dbraw/zinc/10/58/70/847105870.db2.gz QODHXIHATKVDQO-KLHDSHLOSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001281674846 847105863 /nfs/dbraw/zinc/10/58/63/847105863.db2.gz QODHXIHATKVDQO-KLHDSHLOSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001281678257 847108655 /nfs/dbraw/zinc/10/86/55/847108655.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001281678257 847108649 /nfs/dbraw/zinc/10/86/49/847108649.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001281678257 847108643 /nfs/dbraw/zinc/10/86/43/847108643.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001281678258 847108444 /nfs/dbraw/zinc/10/84/44/847108444.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001281678258 847108435 /nfs/dbraw/zinc/10/84/35/847108435.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001281678258 847108431 /nfs/dbraw/zinc/10/84/31/847108431.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2O)CCC1 ZINC001281679404 847110525 /nfs/dbraw/zinc/11/05/25/847110525.db2.gz QHBLCOAIESRVCW-QLFBSQMISA-N 2 1 352.479 -0.357 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001281679740 847111539 /nfs/dbraw/zinc/11/15/39/847111539.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001281679740 847111535 /nfs/dbraw/zinc/11/15/35/847111535.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001281679740 847111533 /nfs/dbraw/zinc/11/15/33/847111533.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001281679741 847111505 /nfs/dbraw/zinc/11/15/05/847111505.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001281679741 847111502 /nfs/dbraw/zinc/11/15/02/847111502.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001281679741 847111499 /nfs/dbraw/zinc/11/14/99/847111499.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001281680760 847113651 /nfs/dbraw/zinc/11/36/51/847113651.db2.gz OZXDEXNZUTXROB-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1O)C1CCC1 ZINC001281683964 847115745 /nfs/dbraw/zinc/11/57/45/847115745.db2.gz LMUDHEDVQDWXDD-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1O)C1CCC1 ZINC001281683964 847115742 /nfs/dbraw/zinc/11/57/42/847115742.db2.gz LMUDHEDVQDWXDD-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1O)C1CCC1 ZINC001281683964 847115738 /nfs/dbraw/zinc/11/57/38/847115738.db2.gz LMUDHEDVQDWXDD-BZUAXINKSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1O)C1CCC1 ZINC001281683965 847116051 /nfs/dbraw/zinc/11/60/51/847116051.db2.gz LMUDHEDVQDWXDD-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O)C1CCC1 ZINC001281683965 847116046 /nfs/dbraw/zinc/11/60/46/847116046.db2.gz LMUDHEDVQDWXDD-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O)C1CCC1 ZINC001281683965 847116036 /nfs/dbraw/zinc/11/60/36/847116036.db2.gz LMUDHEDVQDWXDD-OWCLPIDISA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O)C1CCC1 ZINC001281684418 847116886 /nfs/dbraw/zinc/11/68/86/847116886.db2.gz NNUMAYRVYDNGHA-HZPDHXFCSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001281691527 847124591 /nfs/dbraw/zinc/12/45/91/847124591.db2.gz VTKWQTIHBGSQFE-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001281691528 847124544 /nfs/dbraw/zinc/12/45/44/847124544.db2.gz VTKWQTIHBGSQFE-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281695420 847129326 /nfs/dbraw/zinc/12/93/26/847129326.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281695420 847129318 /nfs/dbraw/zinc/12/93/18/847129318.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001281695420 847129311 /nfs/dbraw/zinc/12/93/11/847129311.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281695422 847129558 /nfs/dbraw/zinc/12/95/58/847129558.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281695422 847129556 /nfs/dbraw/zinc/12/95/56/847129556.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001281695422 847129555 /nfs/dbraw/zinc/12/95/55/847129555.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001281698267 847131184 /nfs/dbraw/zinc/13/11/84/847131184.db2.gz GCCINXZXHDZCJW-HZPDHXFCSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001281699275 847132128 /nfs/dbraw/zinc/13/21/28/847132128.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001281699275 847132123 /nfs/dbraw/zinc/13/21/23/847132123.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001281699275 847132117 /nfs/dbraw/zinc/13/21/17/847132117.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001281699770 847133526 /nfs/dbraw/zinc/13/35/26/847133526.db2.gz CMLRFUXMSBTQBX-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001281703535 847136172 /nfs/dbraw/zinc/13/61/72/847136172.db2.gz XKVOWCFPFGZIDS-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001281703535 847136168 /nfs/dbraw/zinc/13/61/68/847136168.db2.gz XKVOWCFPFGZIDS-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001281703535 847136162 /nfs/dbraw/zinc/13/61/62/847136162.db2.gz XKVOWCFPFGZIDS-QLFBSQMISA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001281707827 847139584 /nfs/dbraw/zinc/13/95/84/847139584.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001281707827 847139579 /nfs/dbraw/zinc/13/95/79/847139579.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001281707827 847139570 /nfs/dbraw/zinc/13/95/70/847139570.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2O)CC1 ZINC001281710896 847141622 /nfs/dbraw/zinc/14/16/22/847141622.db2.gz VWNHDQNYWSECAC-QLFBSQMISA-N 2 1 352.479 -0.500 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710951 847143045 /nfs/dbraw/zinc/14/30/45/847143045.db2.gz XMGDLIMYALXQHD-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710952 847142706 /nfs/dbraw/zinc/14/27/06/847142706.db2.gz XMGDLIMYALXQHD-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281711075 847142617 /nfs/dbraw/zinc/14/26/17/847142617.db2.gz BMDVXWWNJMKKGP-ZIAGYGMSSA-N 2 1 351.451 -0.354 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001281711487 847143166 /nfs/dbraw/zinc/14/31/66/847143166.db2.gz FWQJWWHHJJFDDA-IIAWOOMASA-N 2 1 351.451 -0.534 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712354 847143868 /nfs/dbraw/zinc/14/38/68/847143868.db2.gz XVQOAEUBFGDYRF-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712355 847144279 /nfs/dbraw/zinc/14/42/79/847144279.db2.gz XVQOAEUBFGDYRF-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001281714840 847146439 /nfs/dbraw/zinc/14/64/39/847146439.db2.gz CTLLTOUCPOTKNV-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281714840 847146429 /nfs/dbraw/zinc/14/64/29/847146429.db2.gz CTLLTOUCPOTKNV-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC001281714840 847146424 /nfs/dbraw/zinc/14/64/24/847146424.db2.gz CTLLTOUCPOTKNV-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001281714841 847146386 /nfs/dbraw/zinc/14/63/86/847146386.db2.gz CTLLTOUCPOTKNV-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281714841 847146381 /nfs/dbraw/zinc/14/63/81/847146381.db2.gz CTLLTOUCPOTKNV-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC001281714841 847146374 /nfs/dbraw/zinc/14/63/74/847146374.db2.gz CTLLTOUCPOTKNV-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001281715066 847146407 /nfs/dbraw/zinc/14/64/07/847146407.db2.gz HLEHGCUNVCNLQF-ARFHVFGLSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001281715069 847146636 /nfs/dbraw/zinc/14/66/36/847146636.db2.gz HLEHGCUNVCNLQF-BZUAXINKSA-N 2 1 352.479 -0.642 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001281717279 847147291 /nfs/dbraw/zinc/14/72/91/847147291.db2.gz FPXHSLLIZNFQKU-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001281717279 847147287 /nfs/dbraw/zinc/14/72/87/847147287.db2.gz FPXHSLLIZNFQKU-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001281717279 847147284 /nfs/dbraw/zinc/14/72/84/847147284.db2.gz FPXHSLLIZNFQKU-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001281717280 847147619 /nfs/dbraw/zinc/14/76/19/847147619.db2.gz FPXHSLLIZNFQKU-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001281717280 847147612 /nfs/dbraw/zinc/14/76/12/847147612.db2.gz FPXHSLLIZNFQKU-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001281717280 847147603 /nfs/dbraw/zinc/14/76/03/847147603.db2.gz FPXHSLLIZNFQKU-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1O)[NH+](C)C ZINC001281719088 847149704 /nfs/dbraw/zinc/14/97/04/847149704.db2.gz FEYWNJARRMUQOR-ARKGTOAJSA-N 2 1 354.495 -0.255 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)CC(C)(C)C ZINC001281720485 847151769 /nfs/dbraw/zinc/15/17/69/847151769.db2.gz QKKHZFNZIMEGHZ-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001281720982 847151823 /nfs/dbraw/zinc/15/18/23/847151823.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001281720982 847151818 /nfs/dbraw/zinc/15/18/18/847151818.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001281720982 847151815 /nfs/dbraw/zinc/15/18/15/847151815.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 2 1 356.511 -0.006 20 0 FBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001281781760 847173325 /nfs/dbraw/zinc/17/33/25/847173325.db2.gz PJZVZQIYUAZKBV-HZPDHXFCSA-N 2 1 352.479 -0.232 20 0 FBADMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281825756 847191389 /nfs/dbraw/zinc/19/13/89/847191389.db2.gz DEJDHXDTWFRFIU-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281825756 847191384 /nfs/dbraw/zinc/19/13/84/847191384.db2.gz DEJDHXDTWFRFIU-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281825757 847191409 /nfs/dbraw/zinc/19/14/09/847191409.db2.gz DEJDHXDTWFRFIU-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281825757 847191405 /nfs/dbraw/zinc/19/14/05/847191405.db2.gz DEJDHXDTWFRFIU-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OC ZINC001281834697 847198414 /nfs/dbraw/zinc/19/84/14/847198414.db2.gz MIYWQCOBBRRYFU-HUUCEWRRSA-N 2 1 351.451 -0.125 20 0 FBADMP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001281845775 847208416 /nfs/dbraw/zinc/20/84/16/847208416.db2.gz IQIHACPOKRGRFS-HUUCEWRRSA-N 2 1 356.467 -0.998 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001281845882 847208453 /nfs/dbraw/zinc/20/84/53/847208453.db2.gz MEHXGQBZGTXISH-HUUCEWRRSA-N 2 1 351.451 -0.125 20 0 FBADMP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001281845882 847208444 /nfs/dbraw/zinc/20/84/44/847208444.db2.gz MEHXGQBZGTXISH-HUUCEWRRSA-N 2 1 351.451 -0.125 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC ZINC001281848043 847210545 /nfs/dbraw/zinc/21/05/45/847210545.db2.gz NLVIDMJWRPZKHT-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC ZINC001281856991 847214551 /nfs/dbraw/zinc/21/45/51/847214551.db2.gz IWZFWXFNCGDAEN-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001281886543 847245906 /nfs/dbraw/zinc/24/59/06/847245906.db2.gz GAMLIUPAPZPBPV-CVEARBPZSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001281891266 847250512 /nfs/dbraw/zinc/25/05/12/847250512.db2.gz HLFWYHFDAXDPSD-OAGGEKHMSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001281891267 847250267 /nfs/dbraw/zinc/25/02/67/847250267.db2.gz HLFWYHFDAXDPSD-XHSDSOJGSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001281891608 847250313 /nfs/dbraw/zinc/25/03/13/847250313.db2.gz DKUPCELNJWJHSD-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001281891609 847250107 /nfs/dbraw/zinc/25/01/07/847250107.db2.gz DKUPCELNJWJHSD-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281891858 847251149 /nfs/dbraw/zinc/25/11/49/847251149.db2.gz GGEMCMFYPSWEKC-CABCVRRESA-N 2 1 356.511 -0.006 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281892781 847252410 /nfs/dbraw/zinc/25/24/10/847252410.db2.gz UNRBHAGYTGPWSL-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281892782 847252715 /nfs/dbraw/zinc/25/27/15/847252715.db2.gz UNRBHAGYTGPWSL-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001281895935 847254485 /nfs/dbraw/zinc/25/44/85/847254485.db2.gz DXEKRGWGIXJWGR-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001281895935 847254474 /nfs/dbraw/zinc/25/44/74/847254474.db2.gz DXEKRGWGIXJWGR-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281895935 847254465 /nfs/dbraw/zinc/25/44/65/847254465.db2.gz DXEKRGWGIXJWGR-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001281895937 847255030 /nfs/dbraw/zinc/25/50/30/847255030.db2.gz DXEKRGWGIXJWGR-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001281895937 847255023 /nfs/dbraw/zinc/25/50/23/847255023.db2.gz DXEKRGWGIXJWGR-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281895937 847255012 /nfs/dbraw/zinc/25/50/12/847255012.db2.gz DXEKRGWGIXJWGR-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001281896322 847255825 /nfs/dbraw/zinc/25/58/25/847255825.db2.gz OZXDEXNZUTXROB-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001281898416 847258517 /nfs/dbraw/zinc/25/85/17/847258517.db2.gz FBYDPYFMIPBCMI-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001281898417 847258990 /nfs/dbraw/zinc/25/89/90/847258990.db2.gz FBYDPYFMIPBCMI-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC001281898630 847258637 /nfs/dbraw/zinc/25/86/37/847258637.db2.gz IWLNVAVJWJKZIA-CABCVRRESA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)CC1 ZINC001281898944 847259873 /nfs/dbraw/zinc/25/98/73/847259873.db2.gz DIRUJWCUAJSRQJ-CABCVRRESA-N 2 1 352.479 -0.500 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281899043 847260506 /nfs/dbraw/zinc/26/05/06/847260506.db2.gz PBQYSPVAYKQTMF-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)CC[NH+]1C ZINC001281899224 847259775 /nfs/dbraw/zinc/25/97/75/847259775.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)CC[NH+]1C ZINC001281899224 847259761 /nfs/dbraw/zinc/25/97/61/847259761.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)CC[N@H+]1C ZINC001281899224 847259747 /nfs/dbraw/zinc/25/97/47/847259747.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 2 1 352.479 -0.501 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001281899347 847261848 /nfs/dbraw/zinc/26/18/48/847261848.db2.gz QHBLCOAIESRVCW-ILXRZTDVSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001281899350 847261286 /nfs/dbraw/zinc/26/12/86/847261286.db2.gz QHBLCOAIESRVCW-KFWWJZLASA-N 2 1 352.479 -0.357 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001281899445 847261544 /nfs/dbraw/zinc/26/15/44/847261544.db2.gz TYGXYLKWGYYZRD-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001281899445 847261534 /nfs/dbraw/zinc/26/15/34/847261534.db2.gz TYGXYLKWGYYZRD-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281899445 847261525 /nfs/dbraw/zinc/26/15/25/847261525.db2.gz TYGXYLKWGYYZRD-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001281899448 847260920 /nfs/dbraw/zinc/26/09/20/847260920.db2.gz TYGXYLKWGYYZRD-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001281899448 847260910 /nfs/dbraw/zinc/26/09/10/847260910.db2.gz TYGXYLKWGYYZRD-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281899448 847260893 /nfs/dbraw/zinc/26/08/93/847260893.db2.gz TYGXYLKWGYYZRD-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O)C1CCC1 ZINC001281899522 847261996 /nfs/dbraw/zinc/26/19/96/847261996.db2.gz LMUDHEDVQDWXDD-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O)C1CCC1 ZINC001281899522 847261988 /nfs/dbraw/zinc/26/19/88/847261988.db2.gz LMUDHEDVQDWXDD-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O)C1CCC1 ZINC001281899522 847261974 /nfs/dbraw/zinc/26/19/74/847261974.db2.gz LMUDHEDVQDWXDD-PMPSAXMXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)CCC1 ZINC001281900192 847263084 /nfs/dbraw/zinc/26/30/84/847263084.db2.gz YLQBGZDAMOCNGA-CABCVRRESA-N 2 1 352.479 -0.357 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001281902229 847263580 /nfs/dbraw/zinc/26/35/80/847263580.db2.gz FOVLIHJIUPQVRY-VYDXJSESSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281903330 847264863 /nfs/dbraw/zinc/26/48/63/847264863.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281903330 847264856 /nfs/dbraw/zinc/26/48/56/847264856.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001281903330 847264848 /nfs/dbraw/zinc/26/48/48/847264848.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281903332 847265014 /nfs/dbraw/zinc/26/50/14/847265014.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281903332 847265000 /nfs/dbraw/zinc/26/50/00/847265000.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001281903332 847264990 /nfs/dbraw/zinc/26/49/90/847264990.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001281903905 847265913 /nfs/dbraw/zinc/26/59/13/847265913.db2.gz BJKZEBRFPODMPK-KFWWJZLASA-N 2 1 356.511 -0.008 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001281909399 847273501 /nfs/dbraw/zinc/27/35/01/847273501.db2.gz HUCYCITYKFNRBW-CABCVRRESA-N 2 1 351.451 -0.389 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001281915491 847280600 /nfs/dbraw/zinc/28/06/00/847280600.db2.gz CMLRFUXMSBTQBX-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001281916427 847281112 /nfs/dbraw/zinc/28/11/12/847281112.db2.gz UAIVHWIICZHAGM-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001281916466 847281053 /nfs/dbraw/zinc/28/10/53/847281053.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001281916466 847281046 /nfs/dbraw/zinc/28/10/46/847281046.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC001281916466 847281037 /nfs/dbraw/zinc/28/10/37/847281037.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 2 1 354.495 -0.110 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281918537 847283073 /nfs/dbraw/zinc/28/30/73/847283073.db2.gz YWHRMYSZIAZBJH-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001281925603 847287910 /nfs/dbraw/zinc/28/79/10/847287910.db2.gz HRRDGYQRFYYGBT-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2O)CC1 ZINC001281926078 847289404 /nfs/dbraw/zinc/28/94/04/847289404.db2.gz IVMAMJLDUBKQIA-CABCVRRESA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281928262 847290211 /nfs/dbraw/zinc/29/02/11/847290211.db2.gz BMDVXWWNJMKKGP-KGLIPLIRSA-N 2 1 351.451 -0.354 20 0 FBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930394 847292384 /nfs/dbraw/zinc/29/23/84/847292384.db2.gz VVEJDZJZQSOUNH-OAGGEKHMSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930396 847292508 /nfs/dbraw/zinc/29/25/08/847292508.db2.gz VVEJDZJZQSOUNH-PMPSAXMXSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930500 847292544 /nfs/dbraw/zinc/29/25/44/847292544.db2.gz XVQOAEUBFGDYRF-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930501 847292267 /nfs/dbraw/zinc/29/22/67/847292267.db2.gz XVQOAEUBFGDYRF-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001281935643 847297797 /nfs/dbraw/zinc/29/77/97/847297797.db2.gz ASSZZURKVAJROP-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001281935661 847298078 /nfs/dbraw/zinc/29/80/78/847298078.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001281935661 847298065 /nfs/dbraw/zinc/29/80/65/847298065.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001281935661 847298052 /nfs/dbraw/zinc/29/80/52/847298052.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001281935663 847297919 /nfs/dbraw/zinc/29/79/19/847297919.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001281935663 847297907 /nfs/dbraw/zinc/29/79/07/847297907.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001281935663 847297895 /nfs/dbraw/zinc/29/78/95/847297895.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001281935973 847298005 /nfs/dbraw/zinc/29/80/05/847298005.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001281935973 847297993 /nfs/dbraw/zinc/29/79/93/847297993.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001281935973 847297985 /nfs/dbraw/zinc/29/79/85/847297985.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001281935975 847298182 /nfs/dbraw/zinc/29/81/82/847298182.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001281935975 847298173 /nfs/dbraw/zinc/29/81/73/847298173.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001281935975 847298165 /nfs/dbraw/zinc/29/81/65/847298165.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)C1 ZINC001281936203 847298948 /nfs/dbraw/zinc/29/89/48/847298948.db2.gz ATDIXFOCVNEMKB-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)C1 ZINC001281936206 847299093 /nfs/dbraw/zinc/29/90/93/847299093.db2.gz ATDIXFOCVNEMKB-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001281936960 847300026 /nfs/dbraw/zinc/30/00/26/847300026.db2.gz QMYFYUHUDAGIRT-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001281936960 847300014 /nfs/dbraw/zinc/30/00/14/847300014.db2.gz QMYFYUHUDAGIRT-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001281936960 847300005 /nfs/dbraw/zinc/30/00/05/847300005.db2.gz QMYFYUHUDAGIRT-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001281936961 847300621 /nfs/dbraw/zinc/30/06/21/847300621.db2.gz QMYFYUHUDAGIRT-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001281936961 847300610 /nfs/dbraw/zinc/30/06/10/847300610.db2.gz QMYFYUHUDAGIRT-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001281936961 847300600 /nfs/dbraw/zinc/30/06/00/847300600.db2.gz QMYFYUHUDAGIRT-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281937398 847300331 /nfs/dbraw/zinc/30/03/31/847300331.db2.gz VJJDAABHTZAYPM-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)CC(C)(C)C ZINC001281937420 847300197 /nfs/dbraw/zinc/30/01/97/847300197.db2.gz QKKHZFNZIMEGHZ-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2O)C1 ZINC001281938143 847301937 /nfs/dbraw/zinc/30/19/37/847301937.db2.gz VYRFKVPBYCVAJU-KFWWJZLASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2O)C1 ZINC001281938148 847301313 /nfs/dbraw/zinc/30/13/13/847301313.db2.gz VYRFKVPBYCVAJU-ZNMIVQPWSA-N 2 1 352.479 -0.642 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001281987450 847317882 /nfs/dbraw/zinc/31/78/82/847317882.db2.gz YVPRPOHSVKVRRF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001281987450 847317874 /nfs/dbraw/zinc/31/78/74/847317874.db2.gz YVPRPOHSVKVRRF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281987450 847317867 /nfs/dbraw/zinc/31/78/67/847317867.db2.gz YVPRPOHSVKVRRF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281987450 847317858 /nfs/dbraw/zinc/31/78/58/847317858.db2.gz YVPRPOHSVKVRRF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001281987451 847317990 /nfs/dbraw/zinc/31/79/90/847317990.db2.gz YVPRPOHSVKVRRF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001281987451 847317981 /nfs/dbraw/zinc/31/79/81/847317981.db2.gz YVPRPOHSVKVRRF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281987451 847317975 /nfs/dbraw/zinc/31/79/75/847317975.db2.gz YVPRPOHSVKVRRF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001281987451 847317965 /nfs/dbraw/zinc/31/79/65/847317965.db2.gz YVPRPOHSVKVRRF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001282011206 847321791 /nfs/dbraw/zinc/32/17/91/847321791.db2.gz ZSOYWKQBZGPDLG-CLRIEMFWSA-N 2 1 353.467 -0.343 20 0 FBADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282471291 847390333 /nfs/dbraw/zinc/39/03/33/847390333.db2.gz LWTJLVJOAWESGJ-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282471291 847390321 /nfs/dbraw/zinc/39/03/21/847390321.db2.gz LWTJLVJOAWESGJ-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282471292 847389725 /nfs/dbraw/zinc/38/97/25/847389725.db2.gz LWTJLVJOAWESGJ-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282471292 847389715 /nfs/dbraw/zinc/38/97/15/847389715.db2.gz LWTJLVJOAWESGJ-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282482117 847392248 /nfs/dbraw/zinc/39/22/48/847392248.db2.gz RDXWUILVMRELAC-BZUAXINKSA-N 2 1 354.495 -0.273 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282482119 847391980 /nfs/dbraw/zinc/39/19/80/847391980.db2.gz RDXWUILVMRELAC-OWCLPIDISA-N 2 1 354.495 -0.273 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001282511871 847400516 /nfs/dbraw/zinc/40/05/16/847400516.db2.gz CUGJRXNEAUZORO-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001282511871 847400512 /nfs/dbraw/zinc/40/05/12/847400512.db2.gz CUGJRXNEAUZORO-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001282511871 847400510 /nfs/dbraw/zinc/40/05/10/847400510.db2.gz CUGJRXNEAUZORO-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001282511871 847400508 /nfs/dbraw/zinc/40/05/08/847400508.db2.gz CUGJRXNEAUZORO-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001282511872 847400542 /nfs/dbraw/zinc/40/05/42/847400542.db2.gz CUGJRXNEAUZORO-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001282511872 847400540 /nfs/dbraw/zinc/40/05/40/847400540.db2.gz CUGJRXNEAUZORO-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001282511872 847400537 /nfs/dbraw/zinc/40/05/37/847400537.db2.gz CUGJRXNEAUZORO-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001282511872 847400536 /nfs/dbraw/zinc/40/05/36/847400536.db2.gz CUGJRXNEAUZORO-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC001283028343 847451952 /nfs/dbraw/zinc/45/19/52/847451952.db2.gz ZQYKQPPOHQIIPP-HRCADAONSA-N 2 1 354.495 -0.083 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC001283028344 847451586 /nfs/dbraw/zinc/45/15/86/847451586.db2.gz ZQYKQPPOHQIIPP-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC[N@H+]1C ZINC001283043875 847451556 /nfs/dbraw/zinc/45/15/56/847451556.db2.gz CRHJUSGXAONKEB-KFWWJZLASA-N 2 1 350.467 -0.614 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC[N@@H+]1C ZINC001283043875 847451552 /nfs/dbraw/zinc/45/15/52/847451552.db2.gz CRHJUSGXAONKEB-KFWWJZLASA-N 2 1 350.467 -0.614 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC[N@H+]1C ZINC001283043876 847451697 /nfs/dbraw/zinc/45/16/97/847451697.db2.gz CRHJUSGXAONKEB-RBSFLKMASA-N 2 1 350.467 -0.614 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC[N@@H+]1C ZINC001283043876 847451689 /nfs/dbraw/zinc/45/16/89/847451689.db2.gz CRHJUSGXAONKEB-RBSFLKMASA-N 2 1 350.467 -0.614 20 0 FBADMP C[C@@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283176572 847455096 /nfs/dbraw/zinc/45/50/96/847455096.db2.gz IFJONQPTDZDDMG-BFHYXJOUSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283176573 847454274 /nfs/dbraw/zinc/45/42/74/847454274.db2.gz IFJONQPTDZDDMG-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cncc(OC)n2)CC[N@H+]1C ZINC001283759146 847464115 /nfs/dbraw/zinc/46/41/15/847464115.db2.gz DYPMFQGRAFOGKM-QLFBSQMISA-N 2 1 351.451 -0.218 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cncc(OC)n2)CC[N@@H+]1C ZINC001283759146 847464106 /nfs/dbraw/zinc/46/41/06/847464106.db2.gz DYPMFQGRAFOGKM-QLFBSQMISA-N 2 1 351.451 -0.218 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cncc(OC)n2)CC[N@H+]1C ZINC001283759148 847463726 /nfs/dbraw/zinc/46/37/26/847463726.db2.gz DYPMFQGRAFOGKM-SOUVJXGZSA-N 2 1 351.451 -0.218 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cncc(OC)n2)CC[N@@H+]1C ZINC001283759148 847463720 /nfs/dbraw/zinc/46/37/20/847463720.db2.gz DYPMFQGRAFOGKM-SOUVJXGZSA-N 2 1 351.451 -0.218 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001283759214 847464086 /nfs/dbraw/zinc/46/40/86/847464086.db2.gz GCSIHVPBGUKZGD-GRYCIOLGSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001283759214 847464074 /nfs/dbraw/zinc/46/40/74/847464074.db2.gz GCSIHVPBGUKZGD-GRYCIOLGSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001283759215 847464153 /nfs/dbraw/zinc/46/41/53/847464153.db2.gz GCSIHVPBGUKZGD-IJLUTSLNSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001283759215 847464146 /nfs/dbraw/zinc/46/41/46/847464146.db2.gz GCSIHVPBGUKZGD-IJLUTSLNSA-N 2 1 355.464 -0.512 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001283759685 847463310 /nfs/dbraw/zinc/46/33/10/847463310.db2.gz JLORPTCSTSVTAY-GMTAPVOTSA-N 2 1 354.373 -0.928 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001283759686 847463445 /nfs/dbraw/zinc/46/34/45/847463445.db2.gz JLORPTCSTSVTAY-OUAUKWLOSA-N 2 1 354.373 -0.928 20 0 FBADMP C[NH+](C)CCC(=O)N1CC[NH+](CCCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001283821713 847466544 /nfs/dbraw/zinc/46/65/44/847466544.db2.gz WJWGFEDCJAHHSF-YJBOKZPZSA-N 2 1 352.479 -0.375 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)CC)CC[NH+]1C ZINC001284493397 847482639 /nfs/dbraw/zinc/48/26/39/847482639.db2.gz SFYPEUPZQONDPE-HRCADAONSA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)CC)CC[NH+]1C ZINC001284493397 847482636 /nfs/dbraw/zinc/48/26/36/847482636.db2.gz SFYPEUPZQONDPE-HRCADAONSA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)N(C)CC)CC[N@H+]1C ZINC001284493397 847482634 /nfs/dbraw/zinc/48/26/34/847482634.db2.gz SFYPEUPZQONDPE-HRCADAONSA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)N(C)CC)CC[N@@H+]1C ZINC001284493397 847482630 /nfs/dbraw/zinc/48/26/30/847482630.db2.gz SFYPEUPZQONDPE-HRCADAONSA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)CC)CC[NH+]1C ZINC001284493398 847482754 /nfs/dbraw/zinc/48/27/54/847482754.db2.gz SFYPEUPZQONDPE-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)CC)CC[NH+]1C ZINC001284493398 847482751 /nfs/dbraw/zinc/48/27/51/847482751.db2.gz SFYPEUPZQONDPE-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)N(C)CC)CC[N@H+]1C ZINC001284493398 847482749 /nfs/dbraw/zinc/48/27/49/847482749.db2.gz SFYPEUPZQONDPE-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)N(C)CC)CC[N@@H+]1C ZINC001284493398 847482747 /nfs/dbraw/zinc/48/27/47/847482747.db2.gz SFYPEUPZQONDPE-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284531537 847483798 /nfs/dbraw/zinc/48/37/98/847483798.db2.gz GRZUJDQWMGKBDL-ARFHVFGLSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284531538 847483666 /nfs/dbraw/zinc/48/36/66/847483666.db2.gz GRZUJDQWMGKBDL-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001285932930 847527798 /nfs/dbraw/zinc/52/77/98/847527798.db2.gz GIUDZMKNHYOZGU-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001285932930 847527789 /nfs/dbraw/zinc/52/77/89/847527789.db2.gz GIUDZMKNHYOZGU-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001285932930 847527777 /nfs/dbraw/zinc/52/77/77/847527777.db2.gz GIUDZMKNHYOZGU-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001285932930 847527767 /nfs/dbraw/zinc/52/77/67/847527767.db2.gz GIUDZMKNHYOZGU-KFWWJZLASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001285932931 847527625 /nfs/dbraw/zinc/52/76/25/847527625.db2.gz GIUDZMKNHYOZGU-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001285932931 847527616 /nfs/dbraw/zinc/52/76/16/847527616.db2.gz GIUDZMKNHYOZGU-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001285932931 847527609 /nfs/dbraw/zinc/52/76/09/847527609.db2.gz GIUDZMKNHYOZGU-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001285932931 847527599 /nfs/dbraw/zinc/52/75/99/847527599.db2.gz GIUDZMKNHYOZGU-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001285940296 847529155 /nfs/dbraw/zinc/52/91/55/847529155.db2.gz PNULXUQOXUYRHU-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001285954644 847529771 /nfs/dbraw/zinc/52/97/71/847529771.db2.gz DDDSIGPHXRBAJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001285954644 847529763 /nfs/dbraw/zinc/52/97/63/847529763.db2.gz DDDSIGPHXRBAJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001285954644 847529756 /nfs/dbraw/zinc/52/97/56/847529756.db2.gz DDDSIGPHXRBAJZ-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001287478857 847545795 /nfs/dbraw/zinc/54/57/95/847545795.db2.gz DEMZVWWYKMYCGB-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001287478857 847545787 /nfs/dbraw/zinc/54/57/87/847545787.db2.gz DEMZVWWYKMYCGB-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001287478857 847545784 /nfs/dbraw/zinc/54/57/84/847545784.db2.gz DEMZVWWYKMYCGB-BZUAXINKSA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001287478858 847545965 /nfs/dbraw/zinc/54/59/65/847545965.db2.gz DEMZVWWYKMYCGB-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001287478858 847545959 /nfs/dbraw/zinc/54/59/59/847545959.db2.gz DEMZVWWYKMYCGB-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001287478858 847545955 /nfs/dbraw/zinc/54/59/55/847545955.db2.gz DEMZVWWYKMYCGB-OWCLPIDISA-N 2 1 354.495 -0.083 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001287785499 847550911 /nfs/dbraw/zinc/55/09/11/847550911.db2.gz AZHHDSHFEVOTOS-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001287785500 847551042 /nfs/dbraw/zinc/55/10/42/847551042.db2.gz AZHHDSHFEVOTOS-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001287785551 847551269 /nfs/dbraw/zinc/55/12/69/847551269.db2.gz CAQSFPHXBGAXNX-FVQBIDKESA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001287785553 847551282 /nfs/dbraw/zinc/55/12/82/847551282.db2.gz CAQSFPHXBGAXNX-VNQPRFMTSA-N 2 1 354.495 -0.348 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001287790605 847551424 /nfs/dbraw/zinc/55/14/24/847551424.db2.gz DFTCGGKSSAZBJG-HRCADAONSA-N 2 1 354.495 -0.348 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001287790606 847551486 /nfs/dbraw/zinc/55/14/86/847551486.db2.gz DFTCGGKSSAZBJG-OWCLPIDISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001288092954 847562382 /nfs/dbraw/zinc/56/23/82/847562382.db2.gz CZJQGJADBKGRKL-QLFBSQMISA-N 2 1 354.495 -0.254 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001288092955 847563161 /nfs/dbraw/zinc/56/31/61/847563161.db2.gz CZJQGJADBKGRKL-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001289070067 847621898 /nfs/dbraw/zinc/62/18/98/847621898.db2.gz GAMLIUPAPZPBPV-HZPDHXFCSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001289077627 847626880 /nfs/dbraw/zinc/62/68/80/847626880.db2.gz ZZXIFKVDSXJCTG-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2O)CC[NH+]1C ZINC001289081970 847627988 /nfs/dbraw/zinc/62/79/88/847627988.db2.gz GXABCWOEBJIDLK-ZJIFWQFVSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2O)CC[NH+]1C ZINC001289081970 847627983 /nfs/dbraw/zinc/62/79/83/847627983.db2.gz GXABCWOEBJIDLK-ZJIFWQFVSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2O)CC[N@H+]1C ZINC001289081970 847627980 /nfs/dbraw/zinc/62/79/80/847627980.db2.gz GXABCWOEBJIDLK-ZJIFWQFVSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001289096075 847633618 /nfs/dbraw/zinc/63/36/18/847633618.db2.gz PYEMMKWEBQWYHQ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001289096075 847633608 /nfs/dbraw/zinc/63/36/08/847633608.db2.gz PYEMMKWEBQWYHQ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001289096075 847633601 /nfs/dbraw/zinc/63/36/01/847633601.db2.gz PYEMMKWEBQWYHQ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001289096078 847633294 /nfs/dbraw/zinc/63/32/94/847633294.db2.gz PYEMMKWEBQWYHQ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001289096078 847633287 /nfs/dbraw/zinc/63/32/87/847633287.db2.gz PYEMMKWEBQWYHQ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001289096078 847633272 /nfs/dbraw/zinc/63/32/72/847633272.db2.gz PYEMMKWEBQWYHQ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001289097049 847634544 /nfs/dbraw/zinc/63/45/44/847634544.db2.gz AUHGHTPKUMESHP-HZPDHXFCSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001289097099 847633975 /nfs/dbraw/zinc/63/39/75/847633975.db2.gz BSKSQATZYXQNLU-HZPDHXFCSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001289097331 847634426 /nfs/dbraw/zinc/63/44/26/847634426.db2.gz GBCLJRDKVLBMEP-HZPDHXFCSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001289097351 847634736 /nfs/dbraw/zinc/63/47/36/847634736.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001289097351 847634732 /nfs/dbraw/zinc/63/47/32/847634732.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001289097351 847634728 /nfs/dbraw/zinc/63/47/28/847634728.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 2 1 354.495 -0.255 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001289099026 847636725 /nfs/dbraw/zinc/63/67/25/847636725.db2.gz KIGJZPQXLDTRSC-KBUPBQIOSA-N 2 1 352.479 -0.501 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099584 847636710 /nfs/dbraw/zinc/63/67/10/847636710.db2.gz RFSVVTUZYAVRGO-RBSFLKMASA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099585 847636616 /nfs/dbraw/zinc/63/66/16/847636616.db2.gz RFSVVTUZYAVRGO-RRFJBIMHSA-N 2 1 352.479 -0.500 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001289119805 847643661 /nfs/dbraw/zinc/64/36/61/847643661.db2.gz JGVHTDJXXPBDSZ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001289119805 847643659 /nfs/dbraw/zinc/64/36/59/847643659.db2.gz JGVHTDJXXPBDSZ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001289119805 847643656 /nfs/dbraw/zinc/64/36/56/847643656.db2.gz JGVHTDJXXPBDSZ-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001289119806 847643355 /nfs/dbraw/zinc/64/33/55/847643355.db2.gz JGVHTDJXXPBDSZ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001289119806 847643352 /nfs/dbraw/zinc/64/33/52/847643352.db2.gz JGVHTDJXXPBDSZ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001289119806 847643345 /nfs/dbraw/zinc/64/33/45/847643345.db2.gz JGVHTDJXXPBDSZ-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001289132750 847648392 /nfs/dbraw/zinc/64/83/92/847648392.db2.gz IVQRLWZYLWTGPE-HUUCEWRRSA-N 2 1 351.451 -0.389 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001289134425 847650561 /nfs/dbraw/zinc/65/05/61/847650561.db2.gz CZQCBYAFXGVWGY-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655285 /nfs/dbraw/zinc/65/52/85/847655285.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655279 /nfs/dbraw/zinc/65/52/79/847655279.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655274 /nfs/dbraw/zinc/65/52/74/847655274.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655127 /nfs/dbraw/zinc/65/51/27/847655127.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655121 /nfs/dbraw/zinc/65/51/21/847655121.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655113 /nfs/dbraw/zinc/65/51/13/847655113.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289146237 847655400 /nfs/dbraw/zinc/65/54/00/847655400.db2.gz NRLQFMGFHNAORP-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289146237 847655395 /nfs/dbraw/zinc/65/53/95/847655395.db2.gz NRLQFMGFHNAORP-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289146240 847655431 /nfs/dbraw/zinc/65/54/31/847655431.db2.gz NRLQFMGFHNAORP-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289146240 847655425 /nfs/dbraw/zinc/65/54/25/847655425.db2.gz NRLQFMGFHNAORP-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001289146638 847656461 /nfs/dbraw/zinc/65/64/61/847656461.db2.gz UYWMEENONIEVQZ-HUUCEWRRSA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001289146847 847656186 /nfs/dbraw/zinc/65/61/86/847656186.db2.gz ZCJZVAHZZUQCOP-KFWWJZLASA-N 2 1 356.511 -0.009 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001289146848 847656389 /nfs/dbraw/zinc/65/63/89/847656389.db2.gz ZCJZVAHZZUQCOP-RBSFLKMASA-N 2 1 356.511 -0.009 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001289169129 847663932 /nfs/dbraw/zinc/66/39/32/847663932.db2.gz HRRDGYQRFYYGBT-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2O)CC1 ZINC001289169359 847663671 /nfs/dbraw/zinc/66/36/71/847663671.db2.gz IVMAMJLDUBKQIA-HUUCEWRRSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169805 847663721 /nfs/dbraw/zinc/66/37/21/847663721.db2.gz ODTMAGJLNJQLKH-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169807 847663793 /nfs/dbraw/zinc/66/37/93/847663793.db2.gz ODTMAGJLNJQLKH-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001289170612 847664880 /nfs/dbraw/zinc/66/48/80/847664880.db2.gz WOFDYIQSPJNERE-HUUCEWRRSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001289181805 847667683 /nfs/dbraw/zinc/66/76/83/847667683.db2.gz FOVLIHJIUPQVRY-BFYDXBDKSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001289189223 847671076 /nfs/dbraw/zinc/67/10/76/847671076.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289189223 847671072 /nfs/dbraw/zinc/67/10/72/847671072.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289189223 847671070 /nfs/dbraw/zinc/67/10/70/847671070.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001289189224 847671159 /nfs/dbraw/zinc/67/11/59/847671159.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289189224 847671156 /nfs/dbraw/zinc/67/11/56/847671156.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289189224 847671153 /nfs/dbraw/zinc/67/11/53/847671153.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001289190263 847672262 /nfs/dbraw/zinc/67/22/62/847672262.db2.gz YXVOYQNGGCDPCT-HUUCEWRRSA-N 2 1 352.479 -0.356 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001289363784 847697150 /nfs/dbraw/zinc/69/71/50/847697150.db2.gz ZRYBKVBWZLRXQI-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001289363785 847696710 /nfs/dbraw/zinc/69/67/10/847696710.db2.gz ZRYBKVBWZLRXQI-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2OC)C1 ZINC001289485678 847719961 /nfs/dbraw/zinc/71/99/61/847719961.db2.gz DFWAABITPNNYMA-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2OC)C1 ZINC001289485678 847719948 /nfs/dbraw/zinc/71/99/48/847719948.db2.gz DFWAABITPNNYMA-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2OC)C1 ZINC001289485679 847719606 /nfs/dbraw/zinc/71/96/06/847719606.db2.gz DFWAABITPNNYMA-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2OC)C1 ZINC001289485679 847719603 /nfs/dbraw/zinc/71/96/03/847719603.db2.gz DFWAABITPNNYMA-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001289486921 847721476 /nfs/dbraw/zinc/72/14/76/847721476.db2.gz HBAYVHUMGSTFMQ-HUUCEWRRSA-N 2 1 351.451 -0.125 20 0 FBADMP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001289486921 847721469 /nfs/dbraw/zinc/72/14/69/847721469.db2.gz HBAYVHUMGSTFMQ-HUUCEWRRSA-N 2 1 351.451 -0.125 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001289501042 847725264 /nfs/dbraw/zinc/72/52/64/847725264.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001289501042 847725258 /nfs/dbraw/zinc/72/52/58/847725258.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001289501042 847725249 /nfs/dbraw/zinc/72/52/49/847725249.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001289501043 847725189 /nfs/dbraw/zinc/72/51/89/847725189.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001289501043 847725181 /nfs/dbraw/zinc/72/51/81/847725181.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001289501043 847725169 /nfs/dbraw/zinc/72/51/69/847725169.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001289513370 847730237 /nfs/dbraw/zinc/73/02/37/847730237.db2.gz YMZOTLRCRTXNGF-HUUCEWRRSA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001289513370 847730233 /nfs/dbraw/zinc/73/02/33/847730233.db2.gz YMZOTLRCRTXNGF-HUUCEWRRSA-N 2 1 351.451 -0.126 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001289515395 847730132 /nfs/dbraw/zinc/73/01/32/847730132.db2.gz DHHPYGWJAOGHDM-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001289525197 847734432 /nfs/dbraw/zinc/73/44/32/847734432.db2.gz ZPIQCLSKFWGHMH-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535681 847736588 /nfs/dbraw/zinc/73/65/88/847736588.db2.gz ITTUBBDHDUMJHR-RBSFLKMASA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535686 847736515 /nfs/dbraw/zinc/73/65/15/847736515.db2.gz ITTUBBDHDUMJHR-RRFJBIMHSA-N 2 1 352.479 -0.378 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535739 847736427 /nfs/dbraw/zinc/73/64/27/847736427.db2.gz KPVNACNSZJGOTR-RBSFLKMASA-N 2 1 352.479 -0.236 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289536121 847736648 /nfs/dbraw/zinc/73/66/48/847736648.db2.gz PVLQXIKDOHSTOG-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289536121 847736642 /nfs/dbraw/zinc/73/66/42/847736642.db2.gz PVLQXIKDOHSTOG-KFWWJZLASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289536122 847736666 /nfs/dbraw/zinc/73/66/66/847736666.db2.gz PVLQXIKDOHSTOG-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289536122 847736661 /nfs/dbraw/zinc/73/66/61/847736661.db2.gz PVLQXIKDOHSTOG-RBSFLKMASA-N 2 1 356.467 -0.999 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001289538885 847737632 /nfs/dbraw/zinc/73/76/32/847737632.db2.gz SVNNCJBWVNNPPD-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001289621846 847765587 /nfs/dbraw/zinc/76/55/87/847765587.db2.gz SDDHFWZIMKYLNN-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001289621848 847765563 /nfs/dbraw/zinc/76/55/63/847765563.db2.gz SDDHFWZIMKYLNN-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001289624009 847767729 /nfs/dbraw/zinc/76/77/29/847767729.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001289624009 847767719 /nfs/dbraw/zinc/76/77/19/847767719.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289624009 847767714 /nfs/dbraw/zinc/76/77/14/847767714.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001289624010 847767646 /nfs/dbraw/zinc/76/76/46/847767646.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001289624010 847767639 /nfs/dbraw/zinc/76/76/39/847767639.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289624010 847767635 /nfs/dbraw/zinc/76/76/35/847767635.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 2 1 354.495 -0.111 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)C1 ZINC001289627768 847769165 /nfs/dbraw/zinc/76/91/65/847769165.db2.gz WSGQTUKRGSBOHB-OAGGEKHMSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)C1 ZINC001289627769 847769229 /nfs/dbraw/zinc/76/92/29/847769229.db2.gz WSGQTUKRGSBOHB-XHSDSOJGSA-N 2 1 352.479 -0.498 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629332 847770103 /nfs/dbraw/zinc/77/01/03/847770103.db2.gz NTCVMQDISDVFOU-OAGGEKHMSA-N 2 1 352.479 -0.644 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629333 847769920 /nfs/dbraw/zinc/76/99/20/847769920.db2.gz NTCVMQDISDVFOU-XHSDSOJGSA-N 2 1 352.479 -0.644 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001289635554 847772158 /nfs/dbraw/zinc/77/21/58/847772158.db2.gz MHTRWWFHOCLMCD-FPCVCCKLSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001289647202 847778753 /nfs/dbraw/zinc/77/87/53/847778753.db2.gz FBMHUNBPZVDHLF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001289647202 847778748 /nfs/dbraw/zinc/77/87/48/847778748.db2.gz FBMHUNBPZVDHLF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001289647202 847778742 /nfs/dbraw/zinc/77/87/42/847778742.db2.gz FBMHUNBPZVDHLF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001289647203 847778584 /nfs/dbraw/zinc/77/85/84/847778584.db2.gz FBMHUNBPZVDHLF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001289647203 847778581 /nfs/dbraw/zinc/77/85/81/847778581.db2.gz FBMHUNBPZVDHLF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001289647203 847778577 /nfs/dbraw/zinc/77/85/77/847778577.db2.gz FBMHUNBPZVDHLF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647430 847778527 /nfs/dbraw/zinc/77/85/27/847778527.db2.gz ILZYPFVJOBWTCG-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647431 847778609 /nfs/dbraw/zinc/77/86/09/847778609.db2.gz ILZYPFVJOBWTCG-PMPSAXMXSA-N 2 1 352.479 -0.356 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001289647829 847778481 /nfs/dbraw/zinc/77/84/81/847778481.db2.gz RBMOSYZOMFEQDV-CVEARBPZSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001289648624 847779770 /nfs/dbraw/zinc/77/97/70/847779770.db2.gz GWDIMCGBHHUTEL-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1 ZINC001289649171 847780742 /nfs/dbraw/zinc/78/07/42/847780742.db2.gz PTNLBKRIDSPIHR-KFWWJZLASA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1 ZINC001289649173 847780460 /nfs/dbraw/zinc/78/04/60/847780460.db2.gz PTNLBKRIDSPIHR-ZNMIVQPWSA-N 2 1 352.479 -0.500 20 0 FBADMP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)[NH+](C)C ZINC001289652917 847781575 /nfs/dbraw/zinc/78/15/75/847781575.db2.gz DEZCSPAMHYACEK-HLLBOEOZSA-N 2 1 354.495 -0.255 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001289666545 847787601 /nfs/dbraw/zinc/78/76/01/847787601.db2.gz WAFSSIKIVBSCHJ-CABCVRRESA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001289696219 847801065 /nfs/dbraw/zinc/80/10/65/847801065.db2.gz FOLCNMRLYKNJTJ-FPCVCCKLSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001289696219 847801060 /nfs/dbraw/zinc/80/10/60/847801060.db2.gz FOLCNMRLYKNJTJ-FPCVCCKLSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001289696219 847801051 /nfs/dbraw/zinc/80/10/51/847801051.db2.gz FOLCNMRLYKNJTJ-FPCVCCKLSA-N 2 1 354.495 -0.254 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696740 847802427 /nfs/dbraw/zinc/80/24/27/847802427.db2.gz REIBUXHEVXZEJH-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001289697019 847802234 /nfs/dbraw/zinc/80/22/34/847802234.db2.gz YTQDLENHYGSMLX-IJEWVQPXSA-N 2 1 351.451 -0.534 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001289697020 847801741 /nfs/dbraw/zinc/80/17/41/847801741.db2.gz YTQDLENHYGSMLX-YCPHGPKFSA-N 2 1 351.451 -0.534 20 0 FBADMP C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)CC1 ZINC001289710223 847807381 /nfs/dbraw/zinc/80/73/81/847807381.db2.gz PVYWNGREZFWEBY-ILXRZTDVSA-N 2 1 352.479 -0.500 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001289718963 847810802 /nfs/dbraw/zinc/81/08/02/847810802.db2.gz WOFDYIQSPJNERE-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CC[N@H+]1C ZINC001289720245 847810539 /nfs/dbraw/zinc/81/05/39/847810539.db2.gz KOHFWLOIPWPXSP-JONQDZQNSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001289720260 847810454 /nfs/dbraw/zinc/81/04/54/847810454.db2.gz LFXDUQNRMSXCFI-CABCVRRESA-N 2 1 356.511 -0.006 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001289739024 847818333 /nfs/dbraw/zinc/81/83/33/847818333.db2.gz CZZAIWCEQDQHLW-ILXRZTDVSA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001289739026 847818288 /nfs/dbraw/zinc/81/82/88/847818288.db2.gz CZZAIWCEQDQHLW-KFWWJZLASA-N 2 1 356.511 -0.008 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001289739246 847817996 /nfs/dbraw/zinc/81/79/96/847817996.db2.gz FKTFELWIUBTOCU-CABCVRRESA-N 2 1 356.511 -0.006 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001289739251 847818370 /nfs/dbraw/zinc/81/83/70/847818370.db2.gz FPXHSLLIZNFQKU-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001289739251 847818365 /nfs/dbraw/zinc/81/83/65/847818365.db2.gz FPXHSLLIZNFQKU-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001289739251 847818358 /nfs/dbraw/zinc/81/83/58/847818358.db2.gz FPXHSLLIZNFQKU-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001289739252 847818436 /nfs/dbraw/zinc/81/84/36/847818436.db2.gz FPXHSLLIZNFQKU-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001289739252 847818431 /nfs/dbraw/zinc/81/84/31/847818431.db2.gz FPXHSLLIZNFQKU-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001289739252 847818429 /nfs/dbraw/zinc/81/84/29/847818429.db2.gz FPXHSLLIZNFQKU-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290260098 847858240 /nfs/dbraw/zinc/85/82/40/847858240.db2.gz WJTYMFBEJOLBAC-ARFHVFGLSA-N 2 1 354.495 -0.131 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290260099 847858312 /nfs/dbraw/zinc/85/83/12/847858312.db2.gz WJTYMFBEJOLBAC-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC001290538341 847877161 /nfs/dbraw/zinc/87/71/61/847877161.db2.gz KSEBWYPZZFLHKT-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC001290538341 847877158 /nfs/dbraw/zinc/87/71/58/847877158.db2.gz KSEBWYPZZFLHKT-OWCLPIDISA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC001290538342 847877588 /nfs/dbraw/zinc/87/75/88/847877588.db2.gz KSEBWYPZZFLHKT-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC001290538342 847877583 /nfs/dbraw/zinc/87/75/83/847877583.db2.gz KSEBWYPZZFLHKT-PMPSAXMXSA-N 2 1 352.479 -0.424 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001290627930 847886861 /nfs/dbraw/zinc/88/68/61/847886861.db2.gz FPTNGSJXGMGBOB-HIFRSBDPSA-N 2 1 351.451 -0.125 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001290677250 847895335 /nfs/dbraw/zinc/89/53/35/847895335.db2.gz NXJWMRBVBJEXQD-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001290677250 847895328 /nfs/dbraw/zinc/89/53/28/847895328.db2.gz NXJWMRBVBJEXQD-OWCLPIDISA-N 2 1 352.479 -0.092 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290985598 847927539 /nfs/dbraw/zinc/92/75/39/847927539.db2.gz VTJKRRPWIQBBOU-HZPDHXFCSA-N 2 1 354.495 -0.129 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001291587680 847931317 /nfs/dbraw/zinc/93/13/17/847931317.db2.gz PEPZDXGUKNPBKM-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001291587680 847931307 /nfs/dbraw/zinc/93/13/07/847931307.db2.gz PEPZDXGUKNPBKM-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001291587682 847931106 /nfs/dbraw/zinc/93/11/06/847931106.db2.gz PEPZDXGUKNPBKM-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001291587682 847931097 /nfs/dbraw/zinc/93/10/97/847931097.db2.gz PEPZDXGUKNPBKM-OAGGEKHMSA-N 2 1 354.495 -0.131 20 0 FBADMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001292180514 847965203 /nfs/dbraw/zinc/96/52/03/847965203.db2.gz RTWWMXWWOJAGAO-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCN2CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001294683858 848006876 /nfs/dbraw/zinc/00/68/76/848006876.db2.gz OSTYICUSISYIKE-HZPDHXFCSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COCC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001295349095 848017930 /nfs/dbraw/zinc/01/79/30/848017930.db2.gz VSFGHSGBKJZLGO-NPCUJANDSA-N 2 1 352.479 -0.522 20 0 FBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001296080688 848029545 /nfs/dbraw/zinc/02/95/45/848029545.db2.gz XJAONNGQRUPCBQ-ARFHVFGLSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001296080689 848030062 /nfs/dbraw/zinc/03/00/62/848030062.db2.gz XJAONNGQRUPCBQ-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C ZINC001298185254 848071229 /nfs/dbraw/zinc/07/12/29/848071229.db2.gz VPKNYFJSMJEFOS-QLFBSQMISA-N 2 1 351.451 -0.485 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C ZINC001298185254 848071223 /nfs/dbraw/zinc/07/12/23/848071223.db2.gz VPKNYFJSMJEFOS-QLFBSQMISA-N 2 1 351.451 -0.485 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C ZINC001298185255 848071307 /nfs/dbraw/zinc/07/13/07/848071307.db2.gz VPKNYFJSMJEFOS-SOUVJXGZSA-N 2 1 351.451 -0.485 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C ZINC001298185255 848071300 /nfs/dbraw/zinc/07/13/00/848071300.db2.gz VPKNYFJSMJEFOS-SOUVJXGZSA-N 2 1 351.451 -0.485 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001298186102 848072503 /nfs/dbraw/zinc/07/25/03/848072503.db2.gz AVUSPQDQVPLNFF-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001298186102 848072499 /nfs/dbraw/zinc/07/24/99/848072499.db2.gz AVUSPQDQVPLNFF-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC001298186102 848072494 /nfs/dbraw/zinc/07/24/94/848072494.db2.gz AVUSPQDQVPLNFF-QLFBSQMISA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001298186103 848072042 /nfs/dbraw/zinc/07/20/42/848072042.db2.gz AVUSPQDQVPLNFF-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001298186103 848072035 /nfs/dbraw/zinc/07/20/35/848072035.db2.gz AVUSPQDQVPLNFF-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC001298186103 848072027 /nfs/dbraw/zinc/07/20/27/848072027.db2.gz AVUSPQDQVPLNFF-RBSFLKMASA-N 2 1 354.495 -0.348 20 0 FBADMP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001306211626 848164993 /nfs/dbraw/zinc/16/49/93/848164993.db2.gz CXDJULSMFKNVHG-PBHICJAKSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001306211626 848164991 /nfs/dbraw/zinc/16/49/91/848164991.db2.gz CXDJULSMFKNVHG-PBHICJAKSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306211626 848164989 /nfs/dbraw/zinc/16/49/89/848164989.db2.gz CXDJULSMFKNVHG-PBHICJAKSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306211626 848164987 /nfs/dbraw/zinc/16/49/87/848164987.db2.gz CXDJULSMFKNVHG-PBHICJAKSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001306211630 848164909 /nfs/dbraw/zinc/16/49/09/848164909.db2.gz CXDJULSMFKNVHG-RHSMWYFYSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001306211630 848164907 /nfs/dbraw/zinc/16/49/07/848164907.db2.gz CXDJULSMFKNVHG-RHSMWYFYSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001306211630 848164904 /nfs/dbraw/zinc/16/49/04/848164904.db2.gz CXDJULSMFKNVHG-RHSMWYFYSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306211630 848164902 /nfs/dbraw/zinc/16/49/02/848164902.db2.gz CXDJULSMFKNVHG-RHSMWYFYSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001306211631 848164969 /nfs/dbraw/zinc/16/49/69/848164969.db2.gz CXDJULSMFKNVHG-WMLDXEAASA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001306211631 848164966 /nfs/dbraw/zinc/16/49/66/848164966.db2.gz CXDJULSMFKNVHG-WMLDXEAASA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001306211631 848164964 /nfs/dbraw/zinc/16/49/64/848164964.db2.gz CXDJULSMFKNVHG-WMLDXEAASA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306211631 848164963 /nfs/dbraw/zinc/16/49/63/848164963.db2.gz CXDJULSMFKNVHG-WMLDXEAASA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001306211632 848164862 /nfs/dbraw/zinc/16/48/62/848164862.db2.gz CXDJULSMFKNVHG-YOEHRIQHSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001306211632 848164861 /nfs/dbraw/zinc/16/48/61/848164861.db2.gz CXDJULSMFKNVHG-YOEHRIQHSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306211632 848164857 /nfs/dbraw/zinc/16/48/57/848164857.db2.gz CXDJULSMFKNVHG-YOEHRIQHSA-N 2 1 350.467 -0.572 20 0 FBADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306211632 848164854 /nfs/dbraw/zinc/16/48/54/848164854.db2.gz CXDJULSMFKNVHG-YOEHRIQHSA-N 2 1 350.467 -0.572 20 0 FBADMP C[C@@H]1C[N@@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001307585892 848175108 /nfs/dbraw/zinc/17/51/08/848175108.db2.gz AUJRBIXVSOSWPM-CVEARBPZSA-N 2 1 359.536 -0.116 20 0 FBADMP C[C@H]1C[N@@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001307585893 848175060 /nfs/dbraw/zinc/17/50/60/848175060.db2.gz AUJRBIXVSOSWPM-HOTGVXAUSA-N 2 1 359.536 -0.116 20 0 FBADMP C[C@@H]1C[N@@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001307585894 848175142 /nfs/dbraw/zinc/17/51/42/848175142.db2.gz AUJRBIXVSOSWPM-HZPDHXFCSA-N 2 1 359.536 -0.116 20 0 FBADMP C[C@H]1C[N@@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001307585895 848174680 /nfs/dbraw/zinc/17/46/80/848174680.db2.gz AUJRBIXVSOSWPM-JKSUJKDBSA-N 2 1 359.536 -0.116 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)cn2)CC1 ZINC001308248368 848183406 /nfs/dbraw/zinc/18/34/06/848183406.db2.gz AYIFIKUKZRSHPP-UHFFFAOYSA-N 2 1 368.507 -0.258 20 0 FBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001308410025 848183380 /nfs/dbraw/zinc/18/33/80/848183380.db2.gz KEIFIFFDXZAXRD-AWEZNQCLSA-N 2 1 356.496 -0.354 20 0 FBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001308410026 848183986 /nfs/dbraw/zinc/18/39/86/848183986.db2.gz KEIFIFFDXZAXRD-CQSZACIVSA-N 2 1 356.496 -0.354 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944688 848261214 /nfs/dbraw/zinc/26/12/14/848261214.db2.gz YUKWQPCGPQIYRE-IKGGRYGDSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944688 848261207 /nfs/dbraw/zinc/26/12/07/848261207.db2.gz YUKWQPCGPQIYRE-IKGGRYGDSA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944688 848261197 /nfs/dbraw/zinc/26/11/97/848261197.db2.gz YUKWQPCGPQIYRE-IKGGRYGDSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944689 848261616 /nfs/dbraw/zinc/26/16/16/848261616.db2.gz YUKWQPCGPQIYRE-ZACQAIPSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944689 848261608 /nfs/dbraw/zinc/26/16/08/848261608.db2.gz YUKWQPCGPQIYRE-ZACQAIPSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944689 848261602 /nfs/dbraw/zinc/26/16/02/848261602.db2.gz YUKWQPCGPQIYRE-ZACQAIPSSA-N 2 1 351.495 -0.262 20 0 FBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001312838832 848278650 /nfs/dbraw/zinc/27/86/50/848278650.db2.gz WTJADHUDKWDEHK-INIZCTEOSA-N 2 1 358.483 -0.520 20 0 FBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001312838833 848278214 /nfs/dbraw/zinc/27/82/14/848278214.db2.gz WTJADHUDKWDEHK-MRXNPFEDSA-N 2 1 358.483 -0.520 20 0 FBADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC001313008378 848283509 /nfs/dbraw/zinc/28/35/09/848283509.db2.gz HYIGOXRTCGWRQC-KBPBESRZSA-N 2 1 355.483 -0.529 20 0 FBADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001313008378 848283495 /nfs/dbraw/zinc/28/34/95/848283495.db2.gz HYIGOXRTCGWRQC-KBPBESRZSA-N 2 1 355.483 -0.529 20 0 FBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC001313008378 848283485 /nfs/dbraw/zinc/28/34/85/848283485.db2.gz HYIGOXRTCGWRQC-KBPBESRZSA-N 2 1 355.483 -0.529 20 0 FBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001316597110 846914727 /nfs/dbraw/zinc/91/47/27/846914727.db2.gz MZIPOHZONRXQLO-HZSPNIEDSA-N 2 1 355.483 -0.003 20 0 FBADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001316597111 846914699 /nfs/dbraw/zinc/91/46/99/846914699.db2.gz MZIPOHZONRXQLO-MGPQQGTHSA-N 2 1 355.483 -0.003 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001316629996 847465037 /nfs/dbraw/zinc/46/50/37/847465037.db2.gz SUQFFHYXAXYYSP-HTVCTNPSSA-N 2 1 353.467 -0.216 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001316629999 847465478 /nfs/dbraw/zinc/46/54/78/847465478.db2.gz SUQFFHYXAXYYSP-XGFWRYKXSA-N 2 1 353.467 -0.216 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316652844 847987320 /nfs/dbraw/zinc/98/73/20/847987320.db2.gz UVMFECUTARFTTD-BFHYXJOUSA-N 2 1 353.467 -0.199 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316652845 847987438 /nfs/dbraw/zinc/98/74/38/847987438.db2.gz UVMFECUTARFTTD-MJBXVCDLSA-N 2 1 353.467 -0.199 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC(=O)NC ZINC001316688454 848116309 /nfs/dbraw/zinc/11/63/09/848116309.db2.gz PNQJVMQYAKAFEJ-QKPAOTATSA-N 2 1 354.495 -0.084 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001316690366 848121652 /nfs/dbraw/zinc/12/16/52/848121652.db2.gz GPDNSUHHYDQFTH-BZUAXINKSA-N 2 1 350.467 -0.175 20 0 FBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001316691739 848125966 /nfs/dbraw/zinc/12/59/66/848125966.db2.gz YPGDASSDJYNIAP-FVQBIDKESA-N 2 1 352.479 -0.188 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001316707303 848159780 /nfs/dbraw/zinc/15/97/80/848159780.db2.gz YBDVRPQTTXZUMS-YPMHNXCESA-N 2 1 350.423 -0.397 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)C1 ZINC001316709998 848309695 /nfs/dbraw/zinc/30/96/95/848309695.db2.gz YSINHMMGWPMXDR-IKGGRYGDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)C1 ZINC001316709998 848309691 /nfs/dbraw/zinc/30/96/91/848309691.db2.gz YSINHMMGWPMXDR-IKGGRYGDSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)C1 ZINC001316710000 848309715 /nfs/dbraw/zinc/30/97/15/848309715.db2.gz YSINHMMGWPMXDR-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)C1 ZINC001316710000 848309711 /nfs/dbraw/zinc/30/97/11/848309711.db2.gz YSINHMMGWPMXDR-IXDOHACOSA-N 2 1 357.495 -0.067 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CC[N@H+]1C ZINC001316714721 848309281 /nfs/dbraw/zinc/30/92/81/848309281.db2.gz FBAKKFHKYQPTML-NWDGAFQWSA-N 2 1 350.423 -0.896 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CC[N@@H+]1C ZINC001316714721 848309271 /nfs/dbraw/zinc/30/92/71/848309271.db2.gz FBAKKFHKYQPTML-NWDGAFQWSA-N 2 1 350.423 -0.896 20 0 FBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1CC)[NH+](C)C ZINC001316732985 848308874 /nfs/dbraw/zinc/30/88/74/848308874.db2.gz KJEKUEBIKNRJKC-BFHYXJOUSA-N 2 1 353.467 -0.153 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)NC(N)=O ZINC001316735057 848157452 /nfs/dbraw/zinc/15/74/52/848157452.db2.gz YBISCOFPPRKDIL-IGQOVBAYSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)NC(N)=O ZINC001316735057 848157449 /nfs/dbraw/zinc/15/74/49/848157449.db2.gz YBISCOFPPRKDIL-IGQOVBAYSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@@H]2CC)CC[NH+]1C ZINC001316735057 848157445 /nfs/dbraw/zinc/15/74/45/848157445.db2.gz YBISCOFPPRKDIL-IGQOVBAYSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@@H]2CC)CC[NH+]1C ZINC001316735057 848157442 /nfs/dbraw/zinc/15/74/42/848157442.db2.gz YBISCOFPPRKDIL-IGQOVBAYSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(N)=O ZINC001316735141 848157778 /nfs/dbraw/zinc/15/77/78/848157778.db2.gz ZXERTRQMGAKKMJ-HZSPNIEDSA-N 2 1 351.451 -0.508 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(N)=O ZINC001316735141 848157770 /nfs/dbraw/zinc/15/77/70/848157770.db2.gz ZXERTRQMGAKKMJ-HZSPNIEDSA-N 2 1 351.451 -0.508 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(N)=O ZINC001316735146 848157553 /nfs/dbraw/zinc/15/75/53/848157553.db2.gz ZXERTRQMGAKKMJ-MELADBBJSA-N 2 1 351.451 -0.508 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(N)=O ZINC001316735146 848157549 /nfs/dbraw/zinc/15/75/49/848157549.db2.gz ZXERTRQMGAKKMJ-MELADBBJSA-N 2 1 351.451 -0.508 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001316737129 848160412 /nfs/dbraw/zinc/16/04/12/848160412.db2.gz UCLGPKOSTOINHN-QWHCGFSZSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001316737129 848160408 /nfs/dbraw/zinc/16/04/08/848160408.db2.gz UCLGPKOSTOINHN-QWHCGFSZSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001316737911 848311394 /nfs/dbraw/zinc/31/13/94/848311394.db2.gz DYXHPLYMTZPTNO-UONOGXRCSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001316737911 848311383 /nfs/dbraw/zinc/31/13/83/848311383.db2.gz DYXHPLYMTZPTNO-UONOGXRCSA-N 2 1 353.467 -0.118 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC ZINC001316739101 848163079 /nfs/dbraw/zinc/16/30/79/848163079.db2.gz MAPRLPMWCFECJX-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC ZINC001316739101 848163074 /nfs/dbraw/zinc/16/30/74/848163074.db2.gz MAPRLPMWCFECJX-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001316739101 848163071 /nfs/dbraw/zinc/16/30/71/848163071.db2.gz MAPRLPMWCFECJX-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001316739101 848163067 /nfs/dbraw/zinc/16/30/67/848163067.db2.gz MAPRLPMWCFECJX-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC ZINC001316739107 848163251 /nfs/dbraw/zinc/16/32/51/848163251.db2.gz MAPRLPMWCFECJX-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC ZINC001316739107 848163247 /nfs/dbraw/zinc/16/32/47/848163247.db2.gz MAPRLPMWCFECJX-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001316739107 848163245 /nfs/dbraw/zinc/16/32/45/848163245.db2.gz MAPRLPMWCFECJX-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001316739107 848163242 /nfs/dbraw/zinc/16/32/42/848163242.db2.gz MAPRLPMWCFECJX-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001316739174 848163494 /nfs/dbraw/zinc/16/34/94/848163494.db2.gz NFGXHWOCJNFFLO-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001316739174 848163491 /nfs/dbraw/zinc/16/34/91/848163491.db2.gz NFGXHWOCJNFFLO-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCNS(C)(=O)=O ZINC001316739174 848163488 /nfs/dbraw/zinc/16/34/88/848163488.db2.gz NFGXHWOCJNFFLO-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001316739174 848163481 /nfs/dbraw/zinc/16/34/81/848163481.db2.gz NFGXHWOCJNFFLO-QLFBSQMISA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001316739179 848163228 /nfs/dbraw/zinc/16/32/28/848163228.db2.gz NFGXHWOCJNFFLO-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCNS(C)(=O)=O ZINC001316739179 848163225 /nfs/dbraw/zinc/16/32/25/848163225.db2.gz NFGXHWOCJNFFLO-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCNS(C)(=O)=O ZINC001316739179 848163224 /nfs/dbraw/zinc/16/32/24/848163224.db2.gz NFGXHWOCJNFFLO-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001316739179 848163221 /nfs/dbraw/zinc/16/32/21/848163221.db2.gz NFGXHWOCJNFFLO-SOUVJXGZSA-N 2 1 360.524 -0.154 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316753376 848312560 /nfs/dbraw/zinc/31/25/60/848312560.db2.gz DNSBMYKAVQBYIK-CABCVRRESA-N 2 1 369.491 -0.479 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316753376 848312548 /nfs/dbraw/zinc/31/25/48/848312548.db2.gz DNSBMYKAVQBYIK-CABCVRRESA-N 2 1 369.491 -0.479 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753845 848312939 /nfs/dbraw/zinc/31/29/39/848312939.db2.gz FFTIRFUVZGGGMX-HZSPNIEDSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753845 848312928 /nfs/dbraw/zinc/31/29/28/848312928.db2.gz FFTIRFUVZGGGMX-HZSPNIEDSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753845 848312917 /nfs/dbraw/zinc/31/29/17/848312917.db2.gz FFTIRFUVZGGGMX-HZSPNIEDSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753846 848311935 /nfs/dbraw/zinc/31/19/35/848311935.db2.gz FFTIRFUVZGGGMX-RDBSUJKOSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753846 848311925 /nfs/dbraw/zinc/31/19/25/848311925.db2.gz FFTIRFUVZGGGMX-RDBSUJKOSA-N 2 1 351.451 -0.554 20 0 FBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753846 848311916 /nfs/dbraw/zinc/31/19/16/848311916.db2.gz FFTIRFUVZGGGMX-RDBSUJKOSA-N 2 1 351.451 -0.554 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316755660 848314701 /nfs/dbraw/zinc/31/47/01/848314701.db2.gz JUXLAZSHGCQFME-ILXRZTDVSA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316755661 848314066 /nfs/dbraw/zinc/31/40/66/848314066.db2.gz JUXLAZSHGCQFME-QLFBSQMISA-N 2 1 350.463 -0.086 20 0 FBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC1 ZINC001316757306 848314045 /nfs/dbraw/zinc/31/40/45/848314045.db2.gz SXWFEKLMYSFOQS-KGLIPLIRSA-N 2 1 351.451 -0.697 20 0 FBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001316757308 848314163 /nfs/dbraw/zinc/31/41/63/848314163.db2.gz TXFQFRFUOJIITP-CABCVRRESA-N 2 1 360.524 -0.342 20 0 FBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001316757672 848315983 /nfs/dbraw/zinc/31/59/83/848315983.db2.gz WYKVUDUNMSCWKD-IXDOHACOSA-N 2 1 355.479 -0.504 20 0 FBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001316757672 848315978 /nfs/dbraw/zinc/31/59/78/848315978.db2.gz WYKVUDUNMSCWKD-IXDOHACOSA-N 2 1 355.479 -0.504 20 0 FBADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1)[NH+](C)C ZINC001316758806 848316377 /nfs/dbraw/zinc/31/63/77/848316377.db2.gz MSTNAXSWJVYDDT-RDBSUJKOSA-N 2 1 353.467 -0.438 20 0 FBADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316758825 848315326 /nfs/dbraw/zinc/31/53/26/848315326.db2.gz NMPCAZSFAVKRDL-KGLIPLIRSA-N 2 1 353.467 -0.307 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758987 848316588 /nfs/dbraw/zinc/31/65/88/848316588.db2.gz CPDHLLVFLZZMAJ-CABCVRRESA-N 2 1 360.524 -0.344 20 0 FBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758987 848316583 /nfs/dbraw/zinc/31/65/83/848316583.db2.gz CPDHLLVFLZZMAJ-CABCVRRESA-N 2 1 360.524 -0.344 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758987 848316574 /nfs/dbraw/zinc/31/65/74/848316574.db2.gz CPDHLLVFLZZMAJ-CABCVRRESA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001316762914 848315946 /nfs/dbraw/zinc/31/59/46/848315946.db2.gz HQEFJKFUTSVLMP-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001316762914 848315939 /nfs/dbraw/zinc/31/59/39/848315939.db2.gz HQEFJKFUTSVLMP-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001316762914 848315933 /nfs/dbraw/zinc/31/59/33/848315933.db2.gz HQEFJKFUTSVLMP-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001316762915 848315289 /nfs/dbraw/zinc/31/52/89/848315289.db2.gz HQEFJKFUTSVLMP-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001316762915 848315282 /nfs/dbraw/zinc/31/52/82/848315282.db2.gz HQEFJKFUTSVLMP-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001316762915 848315273 /nfs/dbraw/zinc/31/52/73/848315273.db2.gz HQEFJKFUTSVLMP-OAGGEKHMSA-N 2 1 354.495 -0.036 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791314 848324144 /nfs/dbraw/zinc/32/41/44/848324144.db2.gz ITIJWOKWCKQEPP-OIISXLGYSA-N 2 1 357.495 -0.069 20 0 FBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791315 848323221 /nfs/dbraw/zinc/32/32/21/848323221.db2.gz ITIJWOKWCKQEPP-PVAVHDDUSA-N 2 1 357.495 -0.069 20 0 FBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316791450 848323399 /nfs/dbraw/zinc/32/33/99/848323399.db2.gz NLRABMWGXXWYCF-VNHYZAJKSA-N 2 1 353.467 -0.297 20 0 FBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316793175 848324492 /nfs/dbraw/zinc/32/44/92/848324492.db2.gz RCOLCUSXOXOTQC-RDBSUJKOSA-N 2 1 353.467 -0.153 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)[C@@H]2C)C1 ZINC001316793388 848324610 /nfs/dbraw/zinc/32/46/10/848324610.db2.gz WAUPGOVJDUYSJL-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCN(C)S(C)(=O)=O)[C@@H]2C)C1 ZINC001316793388 848324599 /nfs/dbraw/zinc/32/45/99/848324599.db2.gz WAUPGOVJDUYSJL-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)[C@@H]2C)C1 ZINC001316793388 848324587 /nfs/dbraw/zinc/32/45/87/848324587.db2.gz WAUPGOVJDUYSJL-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)[C@@H]2C)C1 ZINC001316793388 848324576 /nfs/dbraw/zinc/32/45/76/848324576.db2.gz WAUPGOVJDUYSJL-KFWWJZLASA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCN(C)S(C)(=O)=O ZINC001316793389 848323313 /nfs/dbraw/zinc/32/33/13/848323313.db2.gz WAUPGOVJDUYSJL-ZNMIVQPWSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001316793389 848323307 /nfs/dbraw/zinc/32/33/07/848323307.db2.gz WAUPGOVJDUYSJL-ZNMIVQPWSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCN(C)S(C)(=O)=O ZINC001316793389 848323303 /nfs/dbraw/zinc/32/33/03/848323303.db2.gz WAUPGOVJDUYSJL-ZNMIVQPWSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN(C)S(C)(=O)=O ZINC001316793389 848323302 /nfs/dbraw/zinc/32/33/02/848323302.db2.gz WAUPGOVJDUYSJL-ZNMIVQPWSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCNS(C)(=O)=O ZINC001316793779 848325949 /nfs/dbraw/zinc/32/59/49/848325949.db2.gz CVPCVSMZBCYUPL-HIFRSBDPSA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001316793779 848325941 /nfs/dbraw/zinc/32/59/41/848325941.db2.gz CVPCVSMZBCYUPL-HIFRSBDPSA-N 2 1 360.524 -0.154 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCN1CCCC1=O ZINC001316795963 848326185 /nfs/dbraw/zinc/32/61/85/848326185.db2.gz NQUBOYPLKVNJPX-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCN1CCCC1=O ZINC001316795963 848326178 /nfs/dbraw/zinc/32/61/78/848326178.db2.gz NQUBOYPLKVNJPX-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316796773 848325390 /nfs/dbraw/zinc/32/53/90/848325390.db2.gz RCOLCUSXOXOTQC-HZSPNIEDSA-N 2 1 353.467 -0.153 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001316799803 848327909 /nfs/dbraw/zinc/32/79/09/848327909.db2.gz JNQWNCALCQIAEK-KGLIPLIRSA-N 2 1 353.467 -0.153 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001316799803 848327901 /nfs/dbraw/zinc/32/79/01/848327901.db2.gz JNQWNCALCQIAEK-KGLIPLIRSA-N 2 1 353.467 -0.153 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001316799803 848327895 /nfs/dbraw/zinc/32/78/95/848327895.db2.gz JNQWNCALCQIAEK-KGLIPLIRSA-N 2 1 353.467 -0.153 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCNS(C)(=O)=O ZINC001316799885 848327625 /nfs/dbraw/zinc/32/76/25/848327625.db2.gz LZLSNEXPONAMOK-CABCVRRESA-N 2 1 360.524 -0.009 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001316799885 848327620 /nfs/dbraw/zinc/32/76/20/848327620.db2.gz LZLSNEXPONAMOK-CABCVRRESA-N 2 1 360.524 -0.009 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCNS(C)(=O)=O ZINC001316800083 848327034 /nfs/dbraw/zinc/32/70/34/848327034.db2.gz RIXZSPKDOZAOOD-CABCVRRESA-N 2 1 360.524 -0.009 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001316800083 848327022 /nfs/dbraw/zinc/32/70/22/848327022.db2.gz RIXZSPKDOZAOOD-CABCVRRESA-N 2 1 360.524 -0.009 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001316803037 848327167 /nfs/dbraw/zinc/32/71/67/848327167.db2.gz URFGSZJFUFCMAY-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001316803037 848327154 /nfs/dbraw/zinc/32/71/54/848327154.db2.gz URFGSZJFUFCMAY-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001316803037 848327147 /nfs/dbraw/zinc/32/71/47/848327147.db2.gz URFGSZJFUFCMAY-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001316803037 848327139 /nfs/dbraw/zinc/32/71/39/848327139.db2.gz URFGSZJFUFCMAY-HZSPNIEDSA-N 2 1 353.467 -0.166 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001316916380 848327987 /nfs/dbraw/zinc/32/79/87/848327987.db2.gz KEXWTUCLXYTGGH-MBNYWOFBSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001316916380 848327977 /nfs/dbraw/zinc/32/79/77/848327977.db2.gz KEXWTUCLXYTGGH-MBNYWOFBSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001316916380 848327969 /nfs/dbraw/zinc/32/79/69/848327969.db2.gz KEXWTUCLXYTGGH-MBNYWOFBSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001316916381 848328081 /nfs/dbraw/zinc/32/80/81/848328081.db2.gz KEXWTUCLXYTGGH-YRGRVCCFSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001316916381 848328071 /nfs/dbraw/zinc/32/80/71/848328071.db2.gz KEXWTUCLXYTGGH-YRGRVCCFSA-N 2 1 353.467 -0.119 20 0 FBADMP C[C@H](C(=O)NC(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001316916381 848328061 /nfs/dbraw/zinc/32/80/61/848328061.db2.gz KEXWTUCLXYTGGH-YRGRVCCFSA-N 2 1 353.467 -0.119 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001316977280 848329746 /nfs/dbraw/zinc/32/97/46/848329746.db2.gz GWXKDWLJLKAKAC-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001316977280 848329738 /nfs/dbraw/zinc/32/97/38/848329738.db2.gz GWXKDWLJLKAKAC-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001316977280 848329728 /nfs/dbraw/zinc/32/97/28/848329728.db2.gz GWXKDWLJLKAKAC-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001316977280 848329723 /nfs/dbraw/zinc/32/97/23/848329723.db2.gz GWXKDWLJLKAKAC-QLFBSQMISA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001316977281 848328569 /nfs/dbraw/zinc/32/85/69/848328569.db2.gz GWXKDWLJLKAKAC-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001316977281 848328562 /nfs/dbraw/zinc/32/85/62/848328562.db2.gz GWXKDWLJLKAKAC-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001316977281 848328554 /nfs/dbraw/zinc/32/85/54/848328554.db2.gz GWXKDWLJLKAKAC-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001316977281 848328543 /nfs/dbraw/zinc/32/85/43/848328543.db2.gz GWXKDWLJLKAKAC-SOUVJXGZSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001317013940 848329792 /nfs/dbraw/zinc/32/97/92/848329792.db2.gz QONGMVAXAVZTFK-BMFZPTHFSA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001317013945 848329025 /nfs/dbraw/zinc/32/90/25/848329025.db2.gz QONGMVAXAVZTFK-FVQBIDKESA-N 2 1 352.479 -0.330 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001317037533 848330629 /nfs/dbraw/zinc/33/06/29/848330629.db2.gz VAPFFPNBKNDQFG-HZSPNIEDSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001317037533 848330624 /nfs/dbraw/zinc/33/06/24/848330624.db2.gz VAPFFPNBKNDQFG-HZSPNIEDSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001317037533 848330618 /nfs/dbraw/zinc/33/06/18/848330618.db2.gz VAPFFPNBKNDQFG-HZSPNIEDSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001317037534 848331038 /nfs/dbraw/zinc/33/10/38/848331038.db2.gz VAPFFPNBKNDQFG-MGPQQGTHSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001317037534 848331028 /nfs/dbraw/zinc/33/10/28/848331028.db2.gz VAPFFPNBKNDQFG-MGPQQGTHSA-N 2 1 353.467 -0.308 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001317037534 848331017 /nfs/dbraw/zinc/33/10/17/848331017.db2.gz VAPFFPNBKNDQFG-MGPQQGTHSA-N 2 1 353.467 -0.308 20 0 FBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317057510 848330324 /nfs/dbraw/zinc/33/03/24/848330324.db2.gz HWWYXOPXYCZGCY-MELADBBJSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001317057514 848331180 /nfs/dbraw/zinc/33/11/80/848331180.db2.gz IDVOUHSKGMJVQK-FXUDXRNXSA-N 2 1 352.479 -0.500 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@H+]1C ZINC001317108506 848331075 /nfs/dbraw/zinc/33/10/75/848331075.db2.gz HCBWGTINKLCYRM-RBGFHDKUSA-N 2 1 352.479 -0.453 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186376 848332087 /nfs/dbraw/zinc/33/20/87/848332087.db2.gz OBHXAGWPPBQWJL-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186377 848332241 /nfs/dbraw/zinc/33/22/41/848332241.db2.gz OBHXAGWPPBQWJL-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)CC[N@H+]1C ZINC001317294146 848333218 /nfs/dbraw/zinc/33/32/18/848333218.db2.gz WYOLCZVSSHWJRR-HRCADAONSA-N 2 1 354.495 -0.347 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)CC[N@H+]1C ZINC001317294148 848333498 /nfs/dbraw/zinc/33/34/98/848333498.db2.gz WYOLCZVSSHWJRR-OWCLPIDISA-N 2 1 354.495 -0.347 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001317320639 848333791 /nfs/dbraw/zinc/33/37/91/848333791.db2.gz ATCGSGFDRWVBIQ-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001317320642 848333570 /nfs/dbraw/zinc/33/35/70/848333570.db2.gz ATCGSGFDRWVBIQ-MELADBBJSA-N 2 1 353.467 -0.390 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317321816 848333811 /nfs/dbraw/zinc/33/38/11/848333811.db2.gz JGOZAZKLLLNVLK-QLFBSQMISA-N 2 1 360.524 -0.296 20 0 FBADMP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317321817 848333928 /nfs/dbraw/zinc/33/39/28/848333928.db2.gz JGOZAZKLLLNVLK-RBSFLKMASA-N 2 1 360.524 -0.296 20 0 FBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001317392934 848334845 /nfs/dbraw/zinc/33/48/45/848334845.db2.gz KLLWOWZSKDNJPS-OUCADQQQSA-N 2 1 353.467 -0.201 20 0 FBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001317392935 848334818 /nfs/dbraw/zinc/33/48/18/848334818.db2.gz KLLWOWZSKDNJPS-YRGRVCCFSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001317445841 848334981 /nfs/dbraw/zinc/33/49/81/848334981.db2.gz LOQONXRBUWKOIB-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001317445841 848334972 /nfs/dbraw/zinc/33/49/72/848334972.db2.gz LOQONXRBUWKOIB-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC001317445841 848334966 /nfs/dbraw/zinc/33/49/66/848334966.db2.gz LOQONXRBUWKOIB-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001317522765 848336408 /nfs/dbraw/zinc/33/64/08/848336408.db2.gz LAUFXBAKTMATEY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001317522765 848336399 /nfs/dbraw/zinc/33/63/99/848336399.db2.gz LAUFXBAKTMATEY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001317522765 848336390 /nfs/dbraw/zinc/33/63/90/848336390.db2.gz LAUFXBAKTMATEY-QLFBSQMISA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001317522766 848337381 /nfs/dbraw/zinc/33/73/81/848337381.db2.gz LAUFXBAKTMATEY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)CC[NH+]1C ZINC001317522766 848337373 /nfs/dbraw/zinc/33/73/73/848337373.db2.gz LAUFXBAKTMATEY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001317522766 848337362 /nfs/dbraw/zinc/33/73/62/848337362.db2.gz LAUFXBAKTMATEY-RBSFLKMASA-N 2 1 360.524 -0.344 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001317552085 848336120 /nfs/dbraw/zinc/33/61/20/848336120.db2.gz DGEBMKKEGQXKNN-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317552085 848336111 /nfs/dbraw/zinc/33/61/11/848336111.db2.gz DGEBMKKEGQXKNN-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552085 848336106 /nfs/dbraw/zinc/33/61/06/848336106.db2.gz DGEBMKKEGQXKNN-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552085 848336096 /nfs/dbraw/zinc/33/60/96/848336096.db2.gz DGEBMKKEGQXKNN-TZMCWYRMSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001318523714 848383349 /nfs/dbraw/zinc/38/33/49/848383349.db2.gz DLHSSQSRJBJEFG-MBNYWOFBSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001318523715 848383514 /nfs/dbraw/zinc/38/35/14/848383514.db2.gz DLHSSQSRJBJEFG-YRGRVCCFSA-N 2 1 353.467 -0.201 20 0 FBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001318525651 848383208 /nfs/dbraw/zinc/38/32/08/848383208.db2.gz YMWJPKVAGMVGHL-HZSPNIEDSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001318525654 848383005 /nfs/dbraw/zinc/38/30/05/848383005.db2.gz YMWJPKVAGMVGHL-MGPQQGTHSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CC[NH+](C)CC1 ZINC001318544645 848385468 /nfs/dbraw/zinc/38/54/68/848385468.db2.gz BUPCMTHNVCLVSE-HNNXBMFYSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CC[NH+](C)CC1 ZINC001318544646 848385387 /nfs/dbraw/zinc/38/53/87/848385387.db2.gz BUPCMTHNVCLVSE-OAHLLOKOSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545226 848384962 /nfs/dbraw/zinc/38/49/62/848384962.db2.gz JGIHTZKUWPABPZ-GDBMZVCRSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545226 848384954 /nfs/dbraw/zinc/38/49/54/848384954.db2.gz JGIHTZKUWPABPZ-GDBMZVCRSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545227 848384796 /nfs/dbraw/zinc/38/47/96/848384796.db2.gz JGIHTZKUWPABPZ-GOEBONIOSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545227 848384785 /nfs/dbraw/zinc/38/47/85/848384785.db2.gz JGIHTZKUWPABPZ-GOEBONIOSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545228 848385138 /nfs/dbraw/zinc/38/51/38/848385138.db2.gz JGIHTZKUWPABPZ-HOCLYGCPSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545228 848385131 /nfs/dbraw/zinc/38/51/31/848385131.db2.gz JGIHTZKUWPABPZ-HOCLYGCPSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545229 848385524 /nfs/dbraw/zinc/38/55/24/848385524.db2.gz JGIHTZKUWPABPZ-ZBFHGGJFSA-N 2 1 351.495 -0.437 20 0 FBADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001318545229 848385518 /nfs/dbraw/zinc/38/55/18/848385518.db2.gz JGIHTZKUWPABPZ-ZBFHGGJFSA-N 2 1 351.495 -0.437 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC001318618999 848388863 /nfs/dbraw/zinc/38/88/63/848388863.db2.gz JANFIBWIZRMOJD-UHFFFAOYSA-N 2 1 355.483 -0.393 20 0 FBADMP COCCOC[C@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001318775336 848401845 /nfs/dbraw/zinc/40/18/45/848401845.db2.gz AOBUNLNSULJWHQ-AWEZNQCLSA-N 2 1 354.451 -0.055 20 0 FBADMP COCCOC[C@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001318775336 848401840 /nfs/dbraw/zinc/40/18/40/848401840.db2.gz AOBUNLNSULJWHQ-AWEZNQCLSA-N 2 1 354.451 -0.055 20 0 FBADMP COCCOC[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001318775347 848401806 /nfs/dbraw/zinc/40/18/06/848401806.db2.gz AOBUNLNSULJWHQ-CQSZACIVSA-N 2 1 354.451 -0.055 20 0 FBADMP COCCOC[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001318775347 848401801 /nfs/dbraw/zinc/40/18/01/848401801.db2.gz AOBUNLNSULJWHQ-CQSZACIVSA-N 2 1 354.451 -0.055 20 0 FBADMP NC(=O)CCS(=O)(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC001318840510 848406420 /nfs/dbraw/zinc/40/64/20/848406420.db2.gz AXQPNSJQPXJTAL-UHFFFAOYSA-N 2 1 361.508 -0.147 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001319028569 848420739 /nfs/dbraw/zinc/42/07/39/848420739.db2.gz FRIYCKRYPKYWEF-UHFFFAOYSA-N 2 1 355.483 -0.393 20 0 FBADMP C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001319048170 848423840 /nfs/dbraw/zinc/42/38/40/848423840.db2.gz YMAPRRAIKRBVRY-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001319048171 848423584 /nfs/dbraw/zinc/42/35/84/848423584.db2.gz YMAPRRAIKRBVRY-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001319190285 848437260 /nfs/dbraw/zinc/43/72/60/848437260.db2.gz SABVXDQQHWVPCX-HZSPNIEDSA-N 2 1 353.467 -0.390 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001319190286 848436644 /nfs/dbraw/zinc/43/66/44/848436644.db2.gz SABVXDQQHWVPCX-MELADBBJSA-N 2 1 353.467 -0.390 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CCCC2)CC[N@H+]1C ZINC001319353728 848449308 /nfs/dbraw/zinc/44/93/08/848449308.db2.gz SHHFMNXKRLCHKE-CHWSQXEVSA-N 2 1 350.467 -0.033 20 0 FBADMP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460752 848460672 /nfs/dbraw/zinc/46/06/72/848460672.db2.gz QCXAAKWOULGQJW-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460753 848460378 /nfs/dbraw/zinc/46/03/78/848460378.db2.gz QCXAAKWOULGQJW-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001319711423 848482649 /nfs/dbraw/zinc/48/26/49/848482649.db2.gz ORIGSLQPHALQBC-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001319961271 848501351 /nfs/dbraw/zinc/50/13/51/848501351.db2.gz YBZGGLWWCMWFBP-CHWSQXEVSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001319961271 848501341 /nfs/dbraw/zinc/50/13/41/848501341.db2.gz YBZGGLWWCMWFBP-CHWSQXEVSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001319961272 848501163 /nfs/dbraw/zinc/50/11/63/848501163.db2.gz YBZGGLWWCMWFBP-OLZOCXBDSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001319961272 848501160 /nfs/dbraw/zinc/50/11/60/848501160.db2.gz YBZGGLWWCMWFBP-OLZOCXBDSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001319961273 848501423 /nfs/dbraw/zinc/50/14/23/848501423.db2.gz YBZGGLWWCMWFBP-QWHCGFSZSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001319961273 848501418 /nfs/dbraw/zinc/50/14/18/848501418.db2.gz YBZGGLWWCMWFBP-QWHCGFSZSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001319961274 848501226 /nfs/dbraw/zinc/50/12/26/848501226.db2.gz YBZGGLWWCMWFBP-STQMWFEESA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001319961274 848501219 /nfs/dbraw/zinc/50/12/19/848501219.db2.gz YBZGGLWWCMWFBP-STQMWFEESA-N 2 1 352.439 -0.782 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319998922 848504587 /nfs/dbraw/zinc/50/45/87/848504587.db2.gz IQFGTAUMVFPLLQ-UONOGXRCSA-N 2 1 355.483 -0.047 20 0 FBADMP CCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001319998922 848504577 /nfs/dbraw/zinc/50/45/77/848504577.db2.gz IQFGTAUMVFPLLQ-UONOGXRCSA-N 2 1 355.483 -0.047 20 0 FBADMP CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001319998922 848504568 /nfs/dbraw/zinc/50/45/68/848504568.db2.gz IQFGTAUMVFPLLQ-UONOGXRCSA-N 2 1 355.483 -0.047 20 0 FBADMP CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001319998922 848504562 /nfs/dbraw/zinc/50/45/62/848504562.db2.gz IQFGTAUMVFPLLQ-UONOGXRCSA-N 2 1 355.483 -0.047 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001319999398 848505509 /nfs/dbraw/zinc/50/55/09/848505509.db2.gz NDLDTFAWTBDSSQ-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001319999398 848505503 /nfs/dbraw/zinc/50/55/03/848505503.db2.gz NDLDTFAWTBDSSQ-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001319999398 848505499 /nfs/dbraw/zinc/50/54/99/848505499.db2.gz NDLDTFAWTBDSSQ-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001320229837 848523198 /nfs/dbraw/zinc/52/31/98/848523198.db2.gz HQKHMKCCBGOVEX-GMTAPVOTSA-N 2 1 354.373 -0.928 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001320229838 848522920 /nfs/dbraw/zinc/52/29/20/848522920.db2.gz HQKHMKCCBGOVEX-OUAUKWLOSA-N 2 1 354.373 -0.928 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nn(CC)nc2C)CC[N@H+]1C ZINC001320231217 848523439 /nfs/dbraw/zinc/52/34/39/848523439.db2.gz KXEFUHVBFDRKGQ-IJEWVQPXSA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nn(CC)nc2C)CC[N@@H+]1C ZINC001320231217 848523432 /nfs/dbraw/zinc/52/34/32/848523432.db2.gz KXEFUHVBFDRKGQ-IJEWVQPXSA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nn(CC)nc2C)CC[N@H+]1C ZINC001320231222 848522782 /nfs/dbraw/zinc/52/27/82/848522782.db2.gz KXEFUHVBFDRKGQ-OFQRWUPVSA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nn(CC)nc2C)CC[N@@H+]1C ZINC001320231222 848522776 /nfs/dbraw/zinc/52/27/76/848522776.db2.gz KXEFUHVBFDRKGQ-OFQRWUPVSA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001320232178 848523112 /nfs/dbraw/zinc/52/31/12/848523112.db2.gz MVNZADSAWKKCBT-GRYCIOLGSA-N 2 1 370.479 -0.726 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001320232179 848523336 /nfs/dbraw/zinc/52/33/36/848523336.db2.gz MVNZADSAWKKCBT-SDDRHHMPSA-N 2 1 370.479 -0.726 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001320233450 848524541 /nfs/dbraw/zinc/52/45/41/848524541.db2.gz QJIHDYKRSYCRCC-HRCADAONSA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001320233451 848524455 /nfs/dbraw/zinc/52/44/55/848524455.db2.gz QJIHDYKRSYCRCC-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP COc1coc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001320235391 848524285 /nfs/dbraw/zinc/52/42/85/848524285.db2.gz YKOATWDODWCZHY-MBNYWOFBSA-N 2 1 353.419 -0.445 20 0 FBADMP COc1coc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001320235392 848524082 /nfs/dbraw/zinc/52/40/82/848524082.db2.gz YKOATWDODWCZHY-YRGRVCCFSA-N 2 1 353.419 -0.445 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CN(S(C)(=O)=O)C3)cn2)CC1 ZINC001320765230 848568366 /nfs/dbraw/zinc/56/83/66/848568366.db2.gz QTXVKCPFCVODJN-UHFFFAOYSA-N 2 1 354.480 -0.791 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001321064819 848592668 /nfs/dbraw/zinc/59/26/68/848592668.db2.gz OYSZZTXDKXGVEJ-FSPKCKTGSA-N 2 1 352.479 -0.116 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001321064820 848592257 /nfs/dbraw/zinc/59/22/57/848592257.db2.gz OYSZZTXDKXGVEJ-TZGBVXRMSA-N 2 1 352.479 -0.116 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001321064821 848592724 /nfs/dbraw/zinc/59/27/24/848592724.db2.gz OYSZZTXDKXGVEJ-ZESBSSJPSA-N 2 1 352.479 -0.116 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001321064822 848592639 /nfs/dbraw/zinc/59/26/39/848592639.db2.gz OYSZZTXDKXGVEJ-ZZFUDSBHSA-N 2 1 352.479 -0.116 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001321067440 848593293 /nfs/dbraw/zinc/59/32/93/848593293.db2.gz VDVLCCPLONTCMJ-JHZNUDOXSA-N 2 1 351.451 -0.470 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001321067441 848593519 /nfs/dbraw/zinc/59/35/19/848593519.db2.gz VDVLCCPLONTCMJ-LSMGEYOZSA-N 2 1 351.451 -0.470 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001321352333 848622387 /nfs/dbraw/zinc/62/23/87/848622387.db2.gz JYQPRBUIIZFQSZ-UHFFFAOYSA-N 2 1 353.511 -0.269 20 0 FBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001321585132 848649577 /nfs/dbraw/zinc/64/95/77/848649577.db2.gz XFUNEIMAWOTGGX-UHFFFAOYSA-N 2 1 350.467 -0.548 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321697572 848669001 /nfs/dbraw/zinc/66/90/01/848669001.db2.gz DOXDVBUKPYUELV-HNNXBMFYSA-N 2 1 353.511 -0.413 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321697573 848668880 /nfs/dbraw/zinc/66/88/80/848668880.db2.gz DOXDVBUKPYUELV-OAHLLOKOSA-N 2 1 353.511 -0.413 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001321750708 848675791 /nfs/dbraw/zinc/67/57/91/848675791.db2.gz FMFYVCGROIWITO-HNNXBMFYSA-N 2 1 351.495 -0.517 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001321750712 848675770 /nfs/dbraw/zinc/67/57/70/848675770.db2.gz FMFYVCGROIWITO-OAHLLOKOSA-N 2 1 351.495 -0.517 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001321822279 848684142 /nfs/dbraw/zinc/68/41/42/848684142.db2.gz FMUDXPJHCLKZPJ-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001321822280 848683895 /nfs/dbraw/zinc/68/38/95/848683895.db2.gz FMUDXPJHCLKZPJ-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883909 848692166 /nfs/dbraw/zinc/69/21/66/848692166.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883909 848692162 /nfs/dbraw/zinc/69/21/62/848692162.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883909 848692156 /nfs/dbraw/zinc/69/21/56/848692156.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883910 848691834 /nfs/dbraw/zinc/69/18/34/848691834.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883910 848691827 /nfs/dbraw/zinc/69/18/27/848691827.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883910 848691818 /nfs/dbraw/zinc/69/18/18/848691818.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883911 848692250 /nfs/dbraw/zinc/69/22/50/848692250.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883911 848692247 /nfs/dbraw/zinc/69/22/47/848692247.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883911 848692246 /nfs/dbraw/zinc/69/22/46/848692246.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883912 848692024 /nfs/dbraw/zinc/69/20/24/848692024.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC001321883912 848692023 /nfs/dbraw/zinc/69/20/23/848692023.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883912 848692015 /nfs/dbraw/zinc/69/20/15/848692015.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 2 1 353.511 -0.415 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC001322035136 848714494 /nfs/dbraw/zinc/71/44/94/848714494.db2.gz SYROXWQDPYRZPU-UHFFFAOYSA-N 2 1 355.483 -0.705 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001322811758 848805461 /nfs/dbraw/zinc/80/54/61/848805461.db2.gz OWUFGXKVEHOWQH-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001322811760 848805482 /nfs/dbraw/zinc/80/54/82/848805482.db2.gz OWUFGXKVEHOWQH-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC001322863283 848814575 /nfs/dbraw/zinc/81/45/75/848814575.db2.gz UBWXYWRULKBJSP-UHFFFAOYSA-N 2 1 355.483 -0.935 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905375 848819800 /nfs/dbraw/zinc/81/98/00/848819800.db2.gz WIEFEUKYFTYAAE-DLBZAZTESA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905375 848819797 /nfs/dbraw/zinc/81/97/97/848819797.db2.gz WIEFEUKYFTYAAE-DLBZAZTESA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905376 848819762 /nfs/dbraw/zinc/81/97/62/848819762.db2.gz WIEFEUKYFTYAAE-IAGOWNOFSA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905376 848819761 /nfs/dbraw/zinc/81/97/61/848819761.db2.gz WIEFEUKYFTYAAE-IAGOWNOFSA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905378 848820012 /nfs/dbraw/zinc/82/00/12/848820012.db2.gz WIEFEUKYFTYAAE-IRXDYDNUSA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905378 848820004 /nfs/dbraw/zinc/82/00/04/848820004.db2.gz WIEFEUKYFTYAAE-IRXDYDNUSA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905381 848820363 /nfs/dbraw/zinc/82/03/63/848820363.db2.gz WIEFEUKYFTYAAE-SJORKVTESA-N 2 1 353.511 -0.855 20 0 FBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001322905381 848820358 /nfs/dbraw/zinc/82/03/58/848820358.db2.gz WIEFEUKYFTYAAE-SJORKVTESA-N 2 1 353.511 -0.855 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001322921551 848821560 /nfs/dbraw/zinc/82/15/60/848821560.db2.gz ZMMQPDHHTCSVDX-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001322921553 848821802 /nfs/dbraw/zinc/82/18/02/848821802.db2.gz ZMMQPDHHTCSVDX-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001322921555 848821894 /nfs/dbraw/zinc/82/18/94/848821894.db2.gz ZMMQPDHHTCSVDX-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001322921557 848821658 /nfs/dbraw/zinc/82/16/58/848821658.db2.gz ZMMQPDHHTCSVDX-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC001323079972 848846612 /nfs/dbraw/zinc/84/66/12/848846612.db2.gz FFMIGYSKGJUIES-GDBMZVCRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC001323079972 848846610 /nfs/dbraw/zinc/84/66/10/848846610.db2.gz FFMIGYSKGJUIES-GDBMZVCRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001323079972 848846605 /nfs/dbraw/zinc/84/66/05/848846605.db2.gz FFMIGYSKGJUIES-GDBMZVCRSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC001323079973 848846433 /nfs/dbraw/zinc/84/64/33/848846433.db2.gz FFMIGYSKGJUIES-GOEBONIOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC001323079973 848846425 /nfs/dbraw/zinc/84/64/25/848846425.db2.gz FFMIGYSKGJUIES-GOEBONIOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001323079973 848846419 /nfs/dbraw/zinc/84/64/19/848846419.db2.gz FFMIGYSKGJUIES-GOEBONIOSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC001323079974 848846492 /nfs/dbraw/zinc/84/64/92/848846492.db2.gz FFMIGYSKGJUIES-HOCLYGCPSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC001323079974 848846490 /nfs/dbraw/zinc/84/64/90/848846490.db2.gz FFMIGYSKGJUIES-HOCLYGCPSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001323079974 848846484 /nfs/dbraw/zinc/84/64/84/848846484.db2.gz FFMIGYSKGJUIES-HOCLYGCPSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC001323079975 848846518 /nfs/dbraw/zinc/84/65/18/848846518.db2.gz FFMIGYSKGJUIES-ZBFHGGJFSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC001323079975 848846513 /nfs/dbraw/zinc/84/65/13/848846513.db2.gz FFMIGYSKGJUIES-ZBFHGGJFSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001323079975 848846506 /nfs/dbraw/zinc/84/65/06/848846506.db2.gz FFMIGYSKGJUIES-ZBFHGGJFSA-N 2 1 353.511 -0.273 20 0 FBADMP C[C@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001323339635 848881882 /nfs/dbraw/zinc/88/18/82/848881882.db2.gz NFGXOQDVYCZQTP-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC001323339636 848881650 /nfs/dbraw/zinc/88/16/50/848881650.db2.gz NFGXOQDVYCZQTP-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CC[N@H+](CCNC(=O)COCC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001323339637 848882018 /nfs/dbraw/zinc/88/20/18/848882018.db2.gz NFGXOQDVYCZQTP-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CC[N@@H+](CCNC(=O)COCC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001323339637 848882017 /nfs/dbraw/zinc/88/20/17/848882017.db2.gz NFGXOQDVYCZQTP-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[C@@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001323339637 848882014 /nfs/dbraw/zinc/88/20/14/848882014.db2.gz NFGXOQDVYCZQTP-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001323410900 848891805 /nfs/dbraw/zinc/89/18/05/848891805.db2.gz DGNCQYIINVWIDN-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP CN1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001323410902 848891825 /nfs/dbraw/zinc/89/18/25/848891825.db2.gz DGNCQYIINVWIDN-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323420610 848893833 /nfs/dbraw/zinc/89/38/33/848893833.db2.gz NPBWMJFSNHYURS-GDBMZVCRSA-N 2 1 353.511 -0.463 20 0 FBADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323420613 848893500 /nfs/dbraw/zinc/89/35/00/848893500.db2.gz NPBWMJFSNHYURS-GOEBONIOSA-N 2 1 353.511 -0.463 20 0 FBADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323420616 848893659 /nfs/dbraw/zinc/89/36/59/848893659.db2.gz NPBWMJFSNHYURS-HOCLYGCPSA-N 2 1 353.511 -0.463 20 0 FBADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323420618 848893644 /nfs/dbraw/zinc/89/36/44/848893644.db2.gz NPBWMJFSNHYURS-ZBFHGGJFSA-N 2 1 353.511 -0.463 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@H+]1C ZINC001323440261 848897599 /nfs/dbraw/zinc/89/75/99/848897599.db2.gz ADUBMAAEEVUAMN-RBSFLKMASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001323440262 848897738 /nfs/dbraw/zinc/89/77/38/848897738.db2.gz ADUBMAAEEVUAMN-RRFJBIMHSA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001323440531 848897779 /nfs/dbraw/zinc/89/77/79/848897779.db2.gz BADDXIRCEOYSBH-QLFBSQMISA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001323440536 848897704 /nfs/dbraw/zinc/89/77/04/848897704.db2.gz BADDXIRCEOYSBH-RBSFLKMASA-N 2 1 352.479 -0.282 20 0 FBADMP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001323440939 848897759 /nfs/dbraw/zinc/89/77/59/848897759.db2.gz CUXDQTGQNOASBI-CHWSQXEVSA-N 2 1 353.467 -0.199 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001323442387 848897501 /nfs/dbraw/zinc/89/75/01/848897501.db2.gz NNFIVQUPSBESMC-DGCLKSJQSA-N 2 1 351.451 -0.447 20 0 FBADMP O[C@H](COC1CCOCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001323570424 848917738 /nfs/dbraw/zinc/91/77/38/848917738.db2.gz QOUACDYXVVMCKS-INIZCTEOSA-N 2 1 358.479 -0.298 20 0 FBADMP O[C@@H](COC1CCOCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001323570425 848917658 /nfs/dbraw/zinc/91/76/58/848917658.db2.gz QOUACDYXVVMCKS-MRXNPFEDSA-N 2 1 358.479 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001324466447 849045703 /nfs/dbraw/zinc/04/57/03/849045703.db2.gz FGJOPZREABYMES-BNOWGMLFSA-N 2 1 353.467 -0.214 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001324466448 849045037 /nfs/dbraw/zinc/04/50/37/849045037.db2.gz FGJOPZREABYMES-MRVWCRGKSA-N 2 1 353.467 -0.214 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001324616931 849062742 /nfs/dbraw/zinc/06/27/42/849062742.db2.gz ZIAPRKPNDZINSL-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001324616931 849062732 /nfs/dbraw/zinc/06/27/32/849062732.db2.gz ZIAPRKPNDZINSL-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001324616931 849062722 /nfs/dbraw/zinc/06/27/22/849062722.db2.gz ZIAPRKPNDZINSL-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001324616931 849062712 /nfs/dbraw/zinc/06/27/12/849062712.db2.gz ZIAPRKPNDZINSL-AHIWAGSCSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001324616933 849062941 /nfs/dbraw/zinc/06/29/41/849062941.db2.gz ZIAPRKPNDZINSL-OGHNNQOOSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001324616933 849062931 /nfs/dbraw/zinc/06/29/31/849062931.db2.gz ZIAPRKPNDZINSL-OGHNNQOOSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001324616933 849062918 /nfs/dbraw/zinc/06/29/18/849062918.db2.gz ZIAPRKPNDZINSL-OGHNNQOOSA-N 2 1 353.467 -0.247 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001324616933 849062905 /nfs/dbraw/zinc/06/29/05/849062905.db2.gz ZIAPRKPNDZINSL-OGHNNQOOSA-N 2 1 353.467 -0.247 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1CCO ZINC001324905985 849085803 /nfs/dbraw/zinc/08/58/03/849085803.db2.gz HJIBMECUECXDNT-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1CCO ZINC001324905985 849085795 /nfs/dbraw/zinc/08/57/95/849085795.db2.gz HJIBMECUECXDNT-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC001324905985 849085786 /nfs/dbraw/zinc/08/57/86/849085786.db2.gz HJIBMECUECXDNT-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC001324905985 849085779 /nfs/dbraw/zinc/08/57/79/849085779.db2.gz HJIBMECUECXDNT-OWCLPIDISA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1CCO ZINC001324905986 849085864 /nfs/dbraw/zinc/08/58/64/849085864.db2.gz HJIBMECUECXDNT-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1CCO ZINC001324905986 849085858 /nfs/dbraw/zinc/08/58/58/849085858.db2.gz HJIBMECUECXDNT-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC001324905986 849085852 /nfs/dbraw/zinc/08/58/52/849085852.db2.gz HJIBMECUECXDNT-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC001324905986 849085846 /nfs/dbraw/zinc/08/58/46/849085846.db2.gz HJIBMECUECXDNT-XHSDSOJGSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+]1CC=C(CNC(=O)COCC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC001324929584 849088509 /nfs/dbraw/zinc/08/85/09/849088509.db2.gz XBZSYWYDCIALNN-UHFFFAOYSA-N 2 1 350.463 -0.241 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001324935861 849088445 /nfs/dbraw/zinc/08/84/45/849088445.db2.gz HTCFUWAVJABPRZ-PBFPGSCMSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001324935861 849088439 /nfs/dbraw/zinc/08/84/39/849088439.db2.gz HTCFUWAVJABPRZ-PBFPGSCMSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001324935861 849088431 /nfs/dbraw/zinc/08/84/31/849088431.db2.gz HTCFUWAVJABPRZ-PBFPGSCMSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001324935861 849088427 /nfs/dbraw/zinc/08/84/27/849088427.db2.gz HTCFUWAVJABPRZ-PBFPGSCMSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001324935862 849088396 /nfs/dbraw/zinc/08/83/96/849088396.db2.gz HTCFUWAVJABPRZ-XNJGSVPQSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001324935862 849088390 /nfs/dbraw/zinc/08/83/90/849088390.db2.gz HTCFUWAVJABPRZ-XNJGSVPQSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001324935862 849088384 /nfs/dbraw/zinc/08/83/84/849088384.db2.gz HTCFUWAVJABPRZ-XNJGSVPQSA-N 2 1 353.467 -0.260 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001324935862 849088377 /nfs/dbraw/zinc/08/83/77/849088377.db2.gz HTCFUWAVJABPRZ-XNJGSVPQSA-N 2 1 353.467 -0.260 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C(N)=O)C3)CC2)CC1 ZINC001325038150 849100320 /nfs/dbraw/zinc/10/03/20/849100320.db2.gz FGIQGVURIZIPSA-INIZCTEOSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)CC1 ZINC001325038151 849100269 /nfs/dbraw/zinc/10/02/69/849100269.db2.gz FGIQGVURIZIPSA-MRXNPFEDSA-N 2 1 352.479 -0.105 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001325097317 849108017 /nfs/dbraw/zinc/10/80/17/849108017.db2.gz MALFSGRZKGPHAU-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001325097317 849108009 /nfs/dbraw/zinc/10/80/09/849108009.db2.gz MALFSGRZKGPHAU-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001325097317 849108004 /nfs/dbraw/zinc/10/80/04/849108004.db2.gz MALFSGRZKGPHAU-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001325097317 849107995 /nfs/dbraw/zinc/10/79/95/849107995.db2.gz MALFSGRZKGPHAU-DAYGRLMNSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001325097318 849108343 /nfs/dbraw/zinc/10/83/43/849108343.db2.gz MALFSGRZKGPHAU-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001325097318 849108338 /nfs/dbraw/zinc/10/83/38/849108338.db2.gz MALFSGRZKGPHAU-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001325097318 849108335 /nfs/dbraw/zinc/10/83/35/849108335.db2.gz MALFSGRZKGPHAU-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001325097318 849108330 /nfs/dbraw/zinc/10/83/30/849108330.db2.gz MALFSGRZKGPHAU-HDMKZQKVSA-N 2 1 354.495 -0.252 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001325369284 849137311 /nfs/dbraw/zinc/13/73/11/849137311.db2.gz LGANOCKRLVVPHI-HNNXBMFYSA-N 3 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001325369284 849137308 /nfs/dbraw/zinc/13/73/08/849137308.db2.gz LGANOCKRLVVPHI-HNNXBMFYSA-N 3 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001325369285 849136843 /nfs/dbraw/zinc/13/68/43/849136843.db2.gz LGANOCKRLVVPHI-OAHLLOKOSA-N 3 1 351.495 -0.519 20 0 FBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001325369285 849136838 /nfs/dbraw/zinc/13/68/38/849136838.db2.gz LGANOCKRLVVPHI-OAHLLOKOSA-N 3 1 351.495 -0.519 20 0 FBADMP COC(=O)CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001325369879 849137249 /nfs/dbraw/zinc/13/72/49/849137249.db2.gz LUWJGSDLBXQOQG-UHFFFAOYSA-N 2 1 356.467 -0.460 20 0 FBADMP COC(=O)CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001325369879 849137244 /nfs/dbraw/zinc/13/72/44/849137244.db2.gz LUWJGSDLBXQOQG-UHFFFAOYSA-N 2 1 356.467 -0.460 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325372918 849136986 /nfs/dbraw/zinc/13/69/86/849136986.db2.gz ZZARZSLSCVVIEX-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325372919 849137210 /nfs/dbraw/zinc/13/72/10/849137210.db2.gz ZZARZSLSCVVIEX-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001325840314 849186277 /nfs/dbraw/zinc/18/62/77/849186277.db2.gz MHRJMSMWSDDLSM-IBGZPJMESA-N 2 1 353.555 -0.257 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001325840447 849186259 /nfs/dbraw/zinc/18/62/59/849186259.db2.gz MHRJMSMWSDDLSM-LJQANCHMSA-N 2 1 353.555 -0.257 20 0 FBADMP COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001326020781 849209138 /nfs/dbraw/zinc/20/91/38/849209138.db2.gz CNVAVBGQTCGZML-UKRRQHHQSA-N 2 1 351.451 -0.264 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001326021223 849208969 /nfs/dbraw/zinc/20/89/69/849208969.db2.gz FNNPNUCGCVMOKP-BZUAXINKSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001326021225 849208829 /nfs/dbraw/zinc/20/88/29/849208829.db2.gz FNNPNUCGCVMOKP-OWCLPIDISA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001326026740 849210188 /nfs/dbraw/zinc/21/01/88/849210188.db2.gz HMKGRLWCACNCGE-AWEZNQCLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001326026740 849210182 /nfs/dbraw/zinc/21/01/82/849210182.db2.gz HMKGRLWCACNCGE-AWEZNQCLSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001326026741 849209883 /nfs/dbraw/zinc/20/98/83/849209883.db2.gz HMKGRLWCACNCGE-CQSZACIVSA-N 2 1 352.479 -0.105 20 0 FBADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001326026741 849209873 /nfs/dbraw/zinc/20/98/73/849209873.db2.gz HMKGRLWCACNCGE-CQSZACIVSA-N 2 1 352.479 -0.105 20 0 FBADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@@H]1C ZINC001326268906 849240377 /nfs/dbraw/zinc/24/03/77/849240377.db2.gz UWXFMYJFQIIIAY-XUWVNRHRSA-N 2 1 352.479 -0.284 20 0 FBADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@@H]1C ZINC001326268906 849240368 /nfs/dbraw/zinc/24/03/68/849240368.db2.gz UWXFMYJFQIIIAY-XUWVNRHRSA-N 2 1 352.479 -0.284 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[C@@H]1C ZINC001326268906 849240359 /nfs/dbraw/zinc/24/03/59/849240359.db2.gz UWXFMYJFQIIIAY-XUWVNRHRSA-N 2 1 352.479 -0.284 20 0 FBADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[C@@H]1C ZINC001326268906 849240350 /nfs/dbraw/zinc/24/03/50/849240350.db2.gz UWXFMYJFQIIIAY-XUWVNRHRSA-N 2 1 352.479 -0.284 20 0 FBADMP [NH3+]C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC1 ZINC001326339844 849249015 /nfs/dbraw/zinc/24/90/15/849249015.db2.gz RJLODYWLKTVVEH-UHFFFAOYSA-N 2 1 352.479 -0.055 20 0 FBADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001326370799 849252056 /nfs/dbraw/zinc/25/20/56/849252056.db2.gz IHOHAXLERQNAGA-HNNXBMFYSA-N 2 1 358.508 -0.303 20 0 FBADMP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001326370799 849252045 /nfs/dbraw/zinc/25/20/45/849252045.db2.gz IHOHAXLERQNAGA-HNNXBMFYSA-N 2 1 358.508 -0.303 20 0 FBADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001326370800 849252442 /nfs/dbraw/zinc/25/24/42/849252442.db2.gz IHOHAXLERQNAGA-OAHLLOKOSA-N 2 1 358.508 -0.303 20 0 FBADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001326370800 849252433 /nfs/dbraw/zinc/25/24/33/849252433.db2.gz IHOHAXLERQNAGA-OAHLLOKOSA-N 2 1 358.508 -0.303 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001326428720 849259669 /nfs/dbraw/zinc/25/96/69/849259669.db2.gz WWMVFQIPBNNHHZ-GXTWGEPZSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001326428720 849259666 /nfs/dbraw/zinc/25/96/66/849259666.db2.gz WWMVFQIPBNNHHZ-GXTWGEPZSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001326428721 849259748 /nfs/dbraw/zinc/25/97/48/849259748.db2.gz WWMVFQIPBNNHHZ-JSGCOSHPSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001326428721 849259737 /nfs/dbraw/zinc/25/97/37/849259737.db2.gz WWMVFQIPBNNHHZ-JSGCOSHPSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001326428722 849259532 /nfs/dbraw/zinc/25/95/32/849259532.db2.gz WWMVFQIPBNNHHZ-OCCSQVGLSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001326428722 849259528 /nfs/dbraw/zinc/25/95/28/849259528.db2.gz WWMVFQIPBNNHHZ-OCCSQVGLSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001326428723 849259499 /nfs/dbraw/zinc/25/94/99/849259499.db2.gz WWMVFQIPBNNHHZ-TZMCWYRMSA-N 2 1 352.439 -0.782 20 0 FBADMP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001326428723 849259490 /nfs/dbraw/zinc/25/94/90/849259490.db2.gz WWMVFQIPBNNHHZ-TZMCWYRMSA-N 2 1 352.439 -0.782 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cn1 ZINC001326486836 849270012 /nfs/dbraw/zinc/27/00/12/849270012.db2.gz GJBOTQWKSWFNBZ-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cn1 ZINC001326486836 849270004 /nfs/dbraw/zinc/27/00/04/849270004.db2.gz GJBOTQWKSWFNBZ-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001326549302 849282208 /nfs/dbraw/zinc/28/22/08/849282208.db2.gz JDMUKCIZOFBCSW-AFIMGQEJSA-N 2 1 350.463 -0.447 20 0 FBADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001326549303 849281878 /nfs/dbraw/zinc/28/18/78/849281878.db2.gz JDMUKCIZOFBCSW-BORJPKMPSA-N 2 1 350.463 -0.447 20 0 FBADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001326549304 849281999 /nfs/dbraw/zinc/28/19/99/849281999.db2.gz JDMUKCIZOFBCSW-KRXQYRFLSA-N 2 1 350.463 -0.447 20 0 FBADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001326549305 849281912 /nfs/dbraw/zinc/28/19/12/849281912.db2.gz JDMUKCIZOFBCSW-XSWJXKHESA-N 2 1 350.463 -0.447 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326560547 849283429 /nfs/dbraw/zinc/28/34/29/849283429.db2.gz LJWAXJYYTAWSHQ-UHFFFAOYSA-N 2 1 353.511 -0.330 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C[C@H]1C[NH3+] ZINC001326589831 849289106 /nfs/dbraw/zinc/28/91/06/849289106.db2.gz HDXKGQMAEBVJPT-BPLDGKMQSA-N 2 1 351.451 -0.234 20 0 FBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@H]1C[NH3+] ZINC001326589833 849288697 /nfs/dbraw/zinc/28/86/97/849288697.db2.gz HDXKGQMAEBVJPT-NWANDNLSSA-N 2 1 351.451 -0.234 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001326594814 849289886 /nfs/dbraw/zinc/28/98/86/849289886.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001326594814 849289880 /nfs/dbraw/zinc/28/98/80/849289880.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326594814 849289868 /nfs/dbraw/zinc/28/98/68/849289868.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001326594815 849289573 /nfs/dbraw/zinc/28/95/73/849289573.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001326594815 849289566 /nfs/dbraw/zinc/28/95/66/849289566.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326594815 849289560 /nfs/dbraw/zinc/28/95/60/849289560.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001326594816 849289537 /nfs/dbraw/zinc/28/95/37/849289537.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001326594816 849289529 /nfs/dbraw/zinc/28/95/29/849289529.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326594816 849289523 /nfs/dbraw/zinc/28/95/23/849289523.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001326594817 849290369 /nfs/dbraw/zinc/29/03/69/849290369.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001326594817 849290364 /nfs/dbraw/zinc/29/03/64/849290364.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326594817 849290355 /nfs/dbraw/zinc/29/03/55/849290355.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001326596562 849291409 /nfs/dbraw/zinc/29/14/09/849291409.db2.gz LNJQNXAMFAAFLG-INIZCTEOSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001326596564 849291442 /nfs/dbraw/zinc/29/14/42/849291442.db2.gz LNJQNXAMFAAFLG-MRXNPFEDSA-N 2 1 353.511 -0.319 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(=O)NC(N)=O)CC2)CC1 ZINC001326770708 849320545 /nfs/dbraw/zinc/32/05/45/849320545.db2.gz DGJPTUMPRPVTBG-UHFFFAOYSA-N 2 1 353.467 -0.116 20 0 FBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC001326836215 849331599 /nfs/dbraw/zinc/33/15/99/849331599.db2.gz DSPNTFZYYHAWNS-LSDHHAIUSA-N 2 1 350.463 -0.744 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)CC1 ZINC001327098815 849373068 /nfs/dbraw/zinc/37/30/68/849373068.db2.gz MHBCCKFJYBKVBH-CYBMUJFWSA-N 2 1 360.524 -0.024 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)S(N)(=O)=O)CC2)CC1 ZINC001327098816 849373195 /nfs/dbraw/zinc/37/31/95/849373195.db2.gz MHBCCKFJYBKVBH-ZDUSSCGKSA-N 2 1 360.524 -0.024 20 0 FBADMP C[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCC([NH3+])CC1 ZINC001327207036 849383250 /nfs/dbraw/zinc/38/32/50/849383250.db2.gz VKTKDGRVEPNEAB-GPANFISMSA-N 2 1 372.535 -0.481 20 0 FBADMP C[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCC([NH3+])CC1 ZINC001327207036 849383242 /nfs/dbraw/zinc/38/32/42/849383242.db2.gz VKTKDGRVEPNEAB-GPANFISMSA-N 2 1 372.535 -0.481 20 0 FBADMP C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCC([NH3+])CC1 ZINC001327207038 849382784 /nfs/dbraw/zinc/38/27/84/849382784.db2.gz VKTKDGRVEPNEAB-UYSNPLJNSA-N 2 1 372.535 -0.481 20 0 FBADMP C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCC([NH3+])CC1 ZINC001327207038 849382770 /nfs/dbraw/zinc/38/27/70/849382770.db2.gz VKTKDGRVEPNEAB-UYSNPLJNSA-N 2 1 372.535 -0.481 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001327213376 849385090 /nfs/dbraw/zinc/38/50/90/849385090.db2.gz QYEACHKXNQBNOS-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001327213376 849385082 /nfs/dbraw/zinc/38/50/82/849385082.db2.gz QYEACHKXNQBNOS-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001327213376 849385075 /nfs/dbraw/zinc/38/50/75/849385075.db2.gz QYEACHKXNQBNOS-ZIAGYGMSSA-N 2 1 353.467 -0.341 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001327232530 849388063 /nfs/dbraw/zinc/38/80/63/849388063.db2.gz ZQKBSBFEWHJBHH-HNNXBMFYSA-N 2 1 353.511 -0.461 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001327232531 849388648 /nfs/dbraw/zinc/38/86/48/849388648.db2.gz ZQKBSBFEWHJBHH-OAHLLOKOSA-N 2 1 353.511 -0.461 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001327410735 849420793 /nfs/dbraw/zinc/42/07/93/849420793.db2.gz CVQUKJHXAHCVRN-KSSFIOAISA-N 2 1 352.479 -0.511 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001327413158 849421869 /nfs/dbraw/zinc/42/18/69/849421869.db2.gz RBAIMPFOHTZDSY-INIZCTEOSA-N 2 1 352.479 -0.090 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001327413159 849421613 /nfs/dbraw/zinc/42/16/13/849421613.db2.gz RBAIMPFOHTZDSY-MRXNPFEDSA-N 2 1 352.479 -0.090 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001327470806 849432141 /nfs/dbraw/zinc/43/21/41/849432141.db2.gz GEHZGVXYNVBRJF-UHFFFAOYSA-N 2 1 351.495 -0.612 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001327471794 849432243 /nfs/dbraw/zinc/43/22/43/849432243.db2.gz LOKBJQSGQBVQKL-KRWDZBQOSA-N 2 1 355.483 -0.657 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001327471795 849432007 /nfs/dbraw/zinc/43/20/07/849432007.db2.gz LOKBJQSGQBVQKL-QGZVFWFLSA-N 2 1 355.483 -0.657 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(F)cc1 ZINC001327502635 849437181 /nfs/dbraw/zinc/43/71/81/849437181.db2.gz FFDVWHZIFQSJKK-CABCVRRESA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(F)cc1 ZINC001327502635 849437178 /nfs/dbraw/zinc/43/71/78/849437178.db2.gz FFDVWHZIFQSJKK-CABCVRRESA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(F)cc1 ZINC001327502637 849437324 /nfs/dbraw/zinc/43/73/24/849437324.db2.gz FFDVWHZIFQSJKK-GJZGRUSLSA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(F)cc1 ZINC001327502637 849437323 /nfs/dbraw/zinc/43/73/23/849437323.db2.gz FFDVWHZIFQSJKK-GJZGRUSLSA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(F)cc1 ZINC001327502638 849437000 /nfs/dbraw/zinc/43/70/00/849437000.db2.gz FFDVWHZIFQSJKK-HUUCEWRRSA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(F)cc1 ZINC001327502638 849436995 /nfs/dbraw/zinc/43/69/95/849436995.db2.gz FFDVWHZIFQSJKK-HUUCEWRRSA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(F)cc1 ZINC001327502640 849437194 /nfs/dbraw/zinc/43/71/94/849437194.db2.gz FFDVWHZIFQSJKK-LSDHHAIUSA-N 2 1 352.410 -0.533 20 0 FBADMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(F)cc1 ZINC001327502640 849437190 /nfs/dbraw/zinc/43/71/90/849437190.db2.gz FFDVWHZIFQSJKK-LSDHHAIUSA-N 2 1 352.410 -0.533 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327522317 849440603 /nfs/dbraw/zinc/44/06/03/849440603.db2.gz RCDZWUPMAPOMSJ-INIZCTEOSA-N 2 1 352.479 -0.088 20 0 FBADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327522318 849440361 /nfs/dbraw/zinc/44/03/61/849440361.db2.gz RCDZWUPMAPOMSJ-MRXNPFEDSA-N 2 1 352.479 -0.088 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001327562792 849446198 /nfs/dbraw/zinc/44/61/98/849446198.db2.gz IDKURMRYGQAOBA-FRFSOERESA-N 2 1 350.467 -0.402 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001327562792 849446197 /nfs/dbraw/zinc/44/61/97/849446197.db2.gz IDKURMRYGQAOBA-FRFSOERESA-N 2 1 350.467 -0.402 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001327562792 849446196 /nfs/dbraw/zinc/44/61/96/849446196.db2.gz IDKURMRYGQAOBA-FRFSOERESA-N 2 1 350.467 -0.402 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001327562793 849446194 /nfs/dbraw/zinc/44/61/94/849446194.db2.gz IDKURMRYGQAOBA-UNEWFSDZSA-N 2 1 350.467 -0.402 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001327562793 849446193 /nfs/dbraw/zinc/44/61/93/849446193.db2.gz IDKURMRYGQAOBA-UNEWFSDZSA-N 2 1 350.467 -0.402 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001327562793 849446192 /nfs/dbraw/zinc/44/61/92/849446192.db2.gz IDKURMRYGQAOBA-UNEWFSDZSA-N 2 1 350.467 -0.402 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)CC1 ZINC001327585029 849449053 /nfs/dbraw/zinc/44/90/53/849449053.db2.gz UDYIDTFOXRIRPA-UHFFFAOYSA-N 2 1 353.511 -0.189 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001327605582 849452546 /nfs/dbraw/zinc/45/25/46/849452546.db2.gz JULCGMRHFSANLI-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001327605583 849452288 /nfs/dbraw/zinc/45/22/88/849452288.db2.gz JULCGMRHFSANLI-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001327605584 849452617 /nfs/dbraw/zinc/45/26/17/849452617.db2.gz JULCGMRHFSANLI-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001327605585 849452397 /nfs/dbraw/zinc/45/23/97/849452397.db2.gz JULCGMRHFSANLI-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](O)(C(N)=O)C3)CC2)CC1 ZINC001327633950 849456778 /nfs/dbraw/zinc/45/67/78/849456778.db2.gz CFJHIOQMFAKDKS-GOSISDBHSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@](O)(C(N)=O)C3)CC2)CC1 ZINC001327633951 849456587 /nfs/dbraw/zinc/45/65/87/849456587.db2.gz CFJHIOQMFAKDKS-SFHVURJKSA-N 2 1 352.479 -0.369 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3ncnn3C)CCOCC2)CC[N@H+]1C ZINC001327634345 849456754 /nfs/dbraw/zinc/45/67/54/849456754.db2.gz FNZRHEWQVCKGFA-ZIAGYGMSSA-N 2 1 350.467 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cnnn3C)CCOCC2)CC[N@H+]1C ZINC001327635024 849456730 /nfs/dbraw/zinc/45/67/30/849456730.db2.gz PYPYJZVDKMKWHG-UKRRQHHQSA-N 2 1 350.467 -0.090 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]C[C@@H](O)COC)CCOCC2)CC[N@H+]1C ZINC001327635050 849456782 /nfs/dbraw/zinc/45/67/82/849456782.db2.gz QOTWBCKXKSMWPO-OWCLPIDISA-N 2 1 357.495 -0.021 20 0 FBADMP CCO[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001327664404 849459926 /nfs/dbraw/zinc/45/99/26/849459926.db2.gz SWPMFJSIXWVSFK-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP CCO[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001327664404 849459917 /nfs/dbraw/zinc/45/99/17/849459917.db2.gz SWPMFJSIXWVSFK-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP CCO[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001327664405 849460160 /nfs/dbraw/zinc/46/01/60/849460160.db2.gz SWPMFJSIXWVSFK-OFQRWUPVSA-N 2 1 352.479 -0.045 20 0 FBADMP CCO[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001327664405 849460155 /nfs/dbraw/zinc/46/01/55/849460155.db2.gz SWPMFJSIXWVSFK-OFQRWUPVSA-N 2 1 352.479 -0.045 20 0 FBADMP O=C(C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327706659 849467435 /nfs/dbraw/zinc/46/74/35/849467435.db2.gz HWEFHAUCGZMHLK-LSDHHAIUSA-N 2 1 350.463 -0.744 20 0 FBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(OCC(N)=O)CC1 ZINC001327733081 849472274 /nfs/dbraw/zinc/47/22/74/849472274.db2.gz FGXDRMBYJPRZOX-AWEZNQCLSA-N 2 1 357.499 -0.066 20 0 FBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(OCC(N)=O)CC1 ZINC001327733081 849472269 /nfs/dbraw/zinc/47/22/69/849472269.db2.gz FGXDRMBYJPRZOX-AWEZNQCLSA-N 2 1 357.499 -0.066 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001327849349 849491541 /nfs/dbraw/zinc/49/15/41/849491541.db2.gz WMRAOYIMWBSNRW-HNNXBMFYSA-N 2 1 351.495 -0.519 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001328030444 849516649 /nfs/dbraw/zinc/51/66/49/849516649.db2.gz YGWXXKLIZIEHGN-FXUDXRNXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001328030445 849516984 /nfs/dbraw/zinc/51/69/84/849516984.db2.gz YGWXXKLIZIEHGN-LVQVYYBASA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001328030446 849517075 /nfs/dbraw/zinc/51/70/75/849517075.db2.gz YGWXXKLIZIEHGN-XUWVNRHRSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001328030447 849516763 /nfs/dbraw/zinc/51/67/63/849516763.db2.gz YGWXXKLIZIEHGN-YHUYYLMFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC001328034772 849516710 /nfs/dbraw/zinc/51/67/10/849516710.db2.gz DLVSZOGQSCHMKJ-FMKPAKJESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC001328034772 849516703 /nfs/dbraw/zinc/51/67/03/849516703.db2.gz DLVSZOGQSCHMKJ-FMKPAKJESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1C ZINC001328034772 849516696 /nfs/dbraw/zinc/51/66/96/849516696.db2.gz DLVSZOGQSCHMKJ-FMKPAKJESA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC001328034773 849517144 /nfs/dbraw/zinc/51/71/44/849517144.db2.gz DLVSZOGQSCHMKJ-IIAWOOMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC001328034773 849517135 /nfs/dbraw/zinc/51/71/35/849517135.db2.gz DLVSZOGQSCHMKJ-IIAWOOMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1C ZINC001328034773 849517128 /nfs/dbraw/zinc/51/71/28/849517128.db2.gz DLVSZOGQSCHMKJ-IIAWOOMASA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC001328034774 849516875 /nfs/dbraw/zinc/51/68/75/849516875.db2.gz DLVSZOGQSCHMKJ-IJEWVQPXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1C ZINC001328034774 849516866 /nfs/dbraw/zinc/51/68/66/849516866.db2.gz DLVSZOGQSCHMKJ-IJEWVQPXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1C ZINC001328034774 849516855 /nfs/dbraw/zinc/51/68/55/849516855.db2.gz DLVSZOGQSCHMKJ-IJEWVQPXSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC001328034775 849516614 /nfs/dbraw/zinc/51/66/14/849516614.db2.gz DLVSZOGQSCHMKJ-YCPHGPKFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1C ZINC001328034775 849516611 /nfs/dbraw/zinc/51/66/11/849516611.db2.gz DLVSZOGQSCHMKJ-YCPHGPKFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1C ZINC001328034775 849516609 /nfs/dbraw/zinc/51/66/09/849516609.db2.gz DLVSZOGQSCHMKJ-YCPHGPKFSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)CC[N@H+]1C ZINC001328167785 849535087 /nfs/dbraw/zinc/53/50/87/849535087.db2.gz XZPXJDZPGYOECW-JKSUJKDBSA-N 2 1 357.495 -0.331 20 0 FBADMP COCC1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001328181021 849538808 /nfs/dbraw/zinc/53/88/08/849538808.db2.gz DTXMAZVHFPITSX-INIZCTEOSA-N 2 1 354.495 -0.475 20 0 FBADMP COCC1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001328181022 849538997 /nfs/dbraw/zinc/53/89/97/849538997.db2.gz DTXMAZVHFPITSX-MRXNPFEDSA-N 2 1 354.495 -0.475 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001328223291 849545246 /nfs/dbraw/zinc/54/52/46/849545246.db2.gz UCNJACSUJQAHCJ-INIZCTEOSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001328223293 849545271 /nfs/dbraw/zinc/54/52/71/849545271.db2.gz UCNJACSUJQAHCJ-MRXNPFEDSA-N 2 1 352.479 -0.356 20 0 FBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001328368357 849570353 /nfs/dbraw/zinc/57/03/53/849570353.db2.gz RBYWMJYCJBIGAV-RBSFLKMASA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001328368359 849569942 /nfs/dbraw/zinc/56/99/42/849569942.db2.gz RBYWMJYCJBIGAV-RRFJBIMHSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCCN2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384324 849572765 /nfs/dbraw/zinc/57/27/65/849572765.db2.gz QBWGQJKYTACGBU-CVEARBPZSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCCN2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384324 849572760 /nfs/dbraw/zinc/57/27/60/849572760.db2.gz QBWGQJKYTACGBU-CVEARBPZSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384324 849572756 /nfs/dbraw/zinc/57/27/56/849572756.db2.gz QBWGQJKYTACGBU-CVEARBPZSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCCN2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384325 849572864 /nfs/dbraw/zinc/57/28/64/849572864.db2.gz QBWGQJKYTACGBU-HOTGVXAUSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCCN2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384325 849572859 /nfs/dbraw/zinc/57/28/59/849572859.db2.gz QBWGQJKYTACGBU-HOTGVXAUSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)N2CCN(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384325 849572855 /nfs/dbraw/zinc/57/28/55/849572855.db2.gz QBWGQJKYTACGBU-HOTGVXAUSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCCN2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384326 849572966 /nfs/dbraw/zinc/57/29/66/849572966.db2.gz QBWGQJKYTACGBU-HZPDHXFCSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)NCCN2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384326 849572958 /nfs/dbraw/zinc/57/29/58/849572958.db2.gz QBWGQJKYTACGBU-HZPDHXFCSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384326 849572950 /nfs/dbraw/zinc/57/29/50/849572950.db2.gz QBWGQJKYTACGBU-HZPDHXFCSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCCN2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384327 849572678 /nfs/dbraw/zinc/57/26/78/849572678.db2.gz QBWGQJKYTACGBU-JKSUJKDBSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@H](C(=O)NCCN2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384327 849572668 /nfs/dbraw/zinc/57/26/68/849572668.db2.gz QBWGQJKYTACGBU-JKSUJKDBSA-N 2 1 351.495 -0.850 20 0 FBADMP C[NH+]1CC[C@@H](C(=O)N2CCN(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328384327 849572662 /nfs/dbraw/zinc/57/26/62/849572662.db2.gz QBWGQJKYTACGBU-JKSUJKDBSA-N 2 1 351.495 -0.850 20 0 FBADMP [NH3+]C1(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC001328455139 849584848 /nfs/dbraw/zinc/58/48/48/849584848.db2.gz NYQZHJZHPUGDRP-UHFFFAOYSA-N 2 1 352.479 -0.055 20 0 FBADMP C[NH2+]C[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001328525395 849594413 /nfs/dbraw/zinc/59/44/13/849594413.db2.gz QXCDFSICJMCRRT-HNNXBMFYSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH2+]C[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001328525397 849594021 /nfs/dbraw/zinc/59/40/21/849594021.db2.gz QXCDFSICJMCRRT-OAHLLOKOSA-N 2 1 354.495 -0.081 20 0 FBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001328581668 849602492 /nfs/dbraw/zinc/60/24/92/849602492.db2.gz TTWMQQHPKDEHAM-CYBMUJFWSA-N 2 1 351.455 -0.666 20 0 FBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001328581669 849602168 /nfs/dbraw/zinc/60/21/68/849602168.db2.gz TTWMQQHPKDEHAM-ZDUSSCGKSA-N 2 1 351.455 -0.666 20 0 FBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001328606265 849605938 /nfs/dbraw/zinc/60/59/38/849605938.db2.gz GWGIQVYRTAZBSY-CABCVRRESA-N 2 1 372.535 -0.705 20 0 FBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001328606267 849605805 /nfs/dbraw/zinc/60/58/05/849605805.db2.gz GWGIQVYRTAZBSY-GJZGRUSLSA-N 2 1 372.535 -0.705 20 0 FBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001328606269 849605583 /nfs/dbraw/zinc/60/55/83/849605583.db2.gz GWGIQVYRTAZBSY-HUUCEWRRSA-N 2 1 372.535 -0.705 20 0 FBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001328606272 849605879 /nfs/dbraw/zinc/60/58/79/849605879.db2.gz GWGIQVYRTAZBSY-LSDHHAIUSA-N 2 1 372.535 -0.705 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800228 849634032 /nfs/dbraw/zinc/63/40/32/849634032.db2.gz RDNCIWFMULRFBW-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800228 849634026 /nfs/dbraw/zinc/63/40/26/849634026.db2.gz RDNCIWFMULRFBW-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC001328800228 849634017 /nfs/dbraw/zinc/63/40/17/849634017.db2.gz RDNCIWFMULRFBW-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800230 849633885 /nfs/dbraw/zinc/63/38/85/849633885.db2.gz RDNCIWFMULRFBW-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800230 849633879 /nfs/dbraw/zinc/63/38/79/849633879.db2.gz RDNCIWFMULRFBW-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC001328800230 849633877 /nfs/dbraw/zinc/63/38/77/849633877.db2.gz RDNCIWFMULRFBW-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800233 849633957 /nfs/dbraw/zinc/63/39/57/849633957.db2.gz RDNCIWFMULRFBW-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800233 849633952 /nfs/dbraw/zinc/63/39/52/849633952.db2.gz RDNCIWFMULRFBW-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC001328800233 849633948 /nfs/dbraw/zinc/63/39/48/849633948.db2.gz RDNCIWFMULRFBW-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800234 849633864 /nfs/dbraw/zinc/63/38/64/849633864.db2.gz RDNCIWFMULRFBW-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC001328800234 849633861 /nfs/dbraw/zinc/63/38/61/849633861.db2.gz RDNCIWFMULRFBW-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC001328800234 849633858 /nfs/dbraw/zinc/63/38/58/849633858.db2.gz RDNCIWFMULRFBW-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[N@H+]1CCO ZINC001328819129 849637829 /nfs/dbraw/zinc/63/78/29/849637829.db2.gz BFDKOBLOMKGCIY-KSSFIOAISA-N 2 1 352.479 -0.511 20 0 FBADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[N@@H+]1CCO ZINC001328819129 849637825 /nfs/dbraw/zinc/63/78/25/849637825.db2.gz BFDKOBLOMKGCIY-KSSFIOAISA-N 2 1 352.479 -0.511 20 0 FBADMP C[NH+](C)CC[C@H](N)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001328840126 849643105 /nfs/dbraw/zinc/64/31/05/849643105.db2.gz ILWIYSQWQORFKK-INIZCTEOSA-N 2 1 353.511 -0.332 20 0 FBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001328840127 849643486 /nfs/dbraw/zinc/64/34/86/849643486.db2.gz ILWIYSQWQORFKK-MRXNPFEDSA-N 2 1 353.511 -0.332 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001328859356 849646659 /nfs/dbraw/zinc/64/66/59/849646659.db2.gz QFKRVQAHLUXZER-PFSRBDOWSA-N 2 1 360.524 -0.250 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001328859657 849646106 /nfs/dbraw/zinc/64/61/06/849646106.db2.gz UHVHLIFOQHKUJL-BLYZHGLHSA-N 2 1 351.451 -0.637 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921725 849659323 /nfs/dbraw/zinc/65/93/23/849659323.db2.gz NGFQSZUPUKNVAW-BMFZPTHFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921726 849659158 /nfs/dbraw/zinc/65/91/58/849659158.db2.gz NGFQSZUPUKNVAW-FVQBIDKESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921727 849658791 /nfs/dbraw/zinc/65/87/91/849658791.db2.gz NGFQSZUPUKNVAW-KBMXLJTQSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921728 849659234 /nfs/dbraw/zinc/65/92/34/849659234.db2.gz NGFQSZUPUKNVAW-VNQPRFMTSA-N 2 1 352.479 -0.045 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001329015239 849674861 /nfs/dbraw/zinc/67/48/61/849674861.db2.gz WMRAOYIMWBSNRW-OAHLLOKOSA-N 2 1 351.495 -0.519 20 0 FBADMP [NH3+]C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329053174 849680183 /nfs/dbraw/zinc/68/01/83/849680183.db2.gz DHJNSLASIMCSOZ-HNNXBMFYSA-N 2 1 355.483 -0.800 20 0 FBADMP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329053175 849680108 /nfs/dbraw/zinc/68/01/08/849680108.db2.gz DHJNSLASIMCSOZ-OAHLLOKOSA-N 2 1 355.483 -0.800 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071635 849683266 /nfs/dbraw/zinc/68/32/66/849683266.db2.gz XWIQNITWCLJWNM-INIZCTEOSA-N 2 1 352.479 -0.186 20 0 FBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071636 849683106 /nfs/dbraw/zinc/68/31/06/849683106.db2.gz XWIQNITWCLJWNM-MRXNPFEDSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)CC1 ZINC001329164124 849696790 /nfs/dbraw/zinc/69/67/90/849696790.db2.gz YVSDHRXKYGIEBM-HNNXBMFYSA-N 2 1 353.511 -0.191 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)CC1 ZINC001329164125 849696799 /nfs/dbraw/zinc/69/67/99/849696799.db2.gz YVSDHRXKYGIEBM-OAHLLOKOSA-N 2 1 353.511 -0.191 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001329291441 849716301 /nfs/dbraw/zinc/71/63/01/849716301.db2.gz USZGMYINNMTFRP-QWHCGFSZSA-N 2 1 355.483 -0.014 20 0 FBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CN1CC[NH+](C)CC1)C2 ZINC001329328719 849721865 /nfs/dbraw/zinc/72/18/65/849721865.db2.gz BTIPXELDBONXLP-MQVJKMGUSA-N 2 1 351.495 -0.566 20 0 FBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CN1CC[NH+](C)CC1)C2 ZINC001329328719 849721858 /nfs/dbraw/zinc/72/18/58/849721858.db2.gz BTIPXELDBONXLP-MQVJKMGUSA-N 2 1 351.495 -0.566 20 0 FBADMP [NH3+]CC1(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329426119 849738110 /nfs/dbraw/zinc/73/81/10/849738110.db2.gz OEONJOGLOVSTSU-HNNXBMFYSA-N 2 1 355.483 -0.800 20 0 FBADMP [NH3+]CC1(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329426122 849738340 /nfs/dbraw/zinc/73/83/40/849738340.db2.gz OEONJOGLOVSTSU-OAHLLOKOSA-N 2 1 355.483 -0.800 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329439690 849742632 /nfs/dbraw/zinc/74/26/32/849742632.db2.gz BHIVQXNYCWCVEE-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329439690 849742626 /nfs/dbraw/zinc/74/26/26/849742626.db2.gz BHIVQXNYCWCVEE-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329439690 849742612 /nfs/dbraw/zinc/74/26/12/849742612.db2.gz BHIVQXNYCWCVEE-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329439690 849742603 /nfs/dbraw/zinc/74/26/03/849742603.db2.gz BHIVQXNYCWCVEE-BFHYXJOUSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329439691 849742267 /nfs/dbraw/zinc/74/22/67/849742267.db2.gz BHIVQXNYCWCVEE-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329439691 849742265 /nfs/dbraw/zinc/74/22/65/849742265.db2.gz BHIVQXNYCWCVEE-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329439691 849742263 /nfs/dbraw/zinc/74/22/63/849742263.db2.gz BHIVQXNYCWCVEE-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP CCCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329439691 849742257 /nfs/dbraw/zinc/74/22/57/849742257.db2.gz BHIVQXNYCWCVEE-MGPQQGTHSA-N 2 1 355.483 -0.001 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441552 849742541 /nfs/dbraw/zinc/74/25/41/849742541.db2.gz ODRDRSHANXFWKA-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441552 849742531 /nfs/dbraw/zinc/74/25/31/849742531.db2.gz ODRDRSHANXFWKA-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441552 849742527 /nfs/dbraw/zinc/74/25/27/849742527.db2.gz ODRDRSHANXFWKA-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441552 849742514 /nfs/dbraw/zinc/74/25/14/849742514.db2.gz ODRDRSHANXFWKA-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441553 849742356 /nfs/dbraw/zinc/74/23/56/849742356.db2.gz ODRDRSHANXFWKA-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441553 849742354 /nfs/dbraw/zinc/74/23/54/849742354.db2.gz ODRDRSHANXFWKA-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441553 849742349 /nfs/dbraw/zinc/74/23/49/849742349.db2.gz ODRDRSHANXFWKA-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(=O)NC1CC1 ZINC001329441553 849742344 /nfs/dbraw/zinc/74/23/44/849742344.db2.gz ODRDRSHANXFWKA-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001329443388 849742149 /nfs/dbraw/zinc/74/21/49/849742149.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001329443388 849742144 /nfs/dbraw/zinc/74/21/44/849742144.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001329443388 849742141 /nfs/dbraw/zinc/74/21/41/849742141.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001329443389 849742294 /nfs/dbraw/zinc/74/22/94/849742294.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001329443389 849742290 /nfs/dbraw/zinc/74/22/90/849742290.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001329443389 849742287 /nfs/dbraw/zinc/74/22/87/849742287.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 2 1 353.467 -0.295 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC001329467289 849749917 /nfs/dbraw/zinc/74/99/17/849749917.db2.gz GCXUXZIZMYQAKZ-UHFFFAOYSA-N 2 1 355.483 -0.710 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596195 849773200 /nfs/dbraw/zinc/77/32/00/849773200.db2.gz KVUUIRSRPUVMTM-KBPBESRZSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596195 849773192 /nfs/dbraw/zinc/77/31/92/849773192.db2.gz KVUUIRSRPUVMTM-KBPBESRZSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596199 849773230 /nfs/dbraw/zinc/77/32/30/849773230.db2.gz KVUUIRSRPUVMTM-KGLIPLIRSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596199 849773225 /nfs/dbraw/zinc/77/32/25/849773225.db2.gz KVUUIRSRPUVMTM-KGLIPLIRSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596201 849772867 /nfs/dbraw/zinc/77/28/67/849772867.db2.gz KVUUIRSRPUVMTM-UONOGXRCSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596201 849772854 /nfs/dbraw/zinc/77/28/54/849772854.db2.gz KVUUIRSRPUVMTM-UONOGXRCSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596204 849772899 /nfs/dbraw/zinc/77/28/99/849772899.db2.gz KVUUIRSRPUVMTM-ZIAGYGMSSA-N 2 1 359.496 -0.902 20 0 FBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329596204 849772889 /nfs/dbraw/zinc/77/28/89/849772889.db2.gz KVUUIRSRPUVMTM-ZIAGYGMSSA-N 2 1 359.496 -0.902 20 0 FBADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677822 849790955 /nfs/dbraw/zinc/79/09/55/849790955.db2.gz CFOOFZTYIZMSHG-ARFHVFGLSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677823 849791307 /nfs/dbraw/zinc/79/13/07/849791307.db2.gz CFOOFZTYIZMSHG-BZUAXINKSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677824 849791266 /nfs/dbraw/zinc/79/12/66/849791266.db2.gz CFOOFZTYIZMSHG-OAGGEKHMSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677825 849791414 /nfs/dbraw/zinc/79/14/14/849791414.db2.gz CFOOFZTYIZMSHG-XHSDSOJGSA-N 2 1 352.479 -0.057 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC001329728606 849805802 /nfs/dbraw/zinc/80/58/02/849805802.db2.gz WGHSLWUOCRYNOL-AWEZNQCLSA-N 2 1 352.479 -0.020 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC001329728607 849805870 /nfs/dbraw/zinc/80/58/70/849805870.db2.gz WGHSLWUOCRYNOL-CQSZACIVSA-N 2 1 352.479 -0.020 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC001329746103 849809403 /nfs/dbraw/zinc/80/94/03/849809403.db2.gz NERKMQCLQWGGRJ-UHFFFAOYSA-N 2 1 353.511 -0.412 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001329754374 849811821 /nfs/dbraw/zinc/81/18/21/849811821.db2.gz KDALYPYKZJBGPU-UHFFFAOYSA-N 2 1 358.508 -0.398 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC001329784684 849819118 /nfs/dbraw/zinc/81/91/18/849819118.db2.gz OSQGOBHTWNALKH-IMJJTQAJSA-N 2 1 352.479 -0.500 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001329784686 849819144 /nfs/dbraw/zinc/81/91/44/849819144.db2.gz OSQGOBHTWNALKH-VNQPRFMTSA-N 2 1 352.479 -0.500 20 0 FBADMP CN(C)CC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001329823405 849829638 /nfs/dbraw/zinc/82/96/38/849829638.db2.gz MJILNGMYKJXZRU-UHFFFAOYSA-N 2 1 351.455 -0.534 20 0 FBADMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC001329993205 849868955 /nfs/dbraw/zinc/86/89/55/849868955.db2.gz UCTCWVDMZKWVOS-IYBDPMFKSA-N 2 1 353.511 -0.413 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001330059651 849880250 /nfs/dbraw/zinc/88/02/50/849880250.db2.gz OCCAGDPPXVCGEM-DOTOQJQBSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001330059652 849880169 /nfs/dbraw/zinc/88/01/69/849880169.db2.gz OCCAGDPPXVCGEM-NVXWUHKLSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001330059653 849880124 /nfs/dbraw/zinc/88/01/24/849880124.db2.gz OCCAGDPPXVCGEM-RDJZCZTQSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001330059654 849880467 /nfs/dbraw/zinc/88/04/67/849880467.db2.gz OCCAGDPPXVCGEM-WBVHZDCISA-N 2 1 353.511 -0.137 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1)N1CC[NH2+]CC1 ZINC001330067593 849880223 /nfs/dbraw/zinc/88/02/23/849880223.db2.gz MQALLVJLCFJLOF-BZUAXINKSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1)N1CC[NH2+]CC1 ZINC001330067595 849879657 /nfs/dbraw/zinc/87/96/57/849879657.db2.gz MQALLVJLCFJLOF-OAGGEKHMSA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1)N1CC[NH2+]CC1 ZINC001330067598 849880382 /nfs/dbraw/zinc/88/03/82/849880382.db2.gz MQALLVJLCFJLOF-OWCLPIDISA-N 2 1 352.479 -0.450 20 0 FBADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1)N1CC[NH2+]CC1 ZINC001330067600 849879965 /nfs/dbraw/zinc/87/99/65/849879965.db2.gz MQALLVJLCFJLOF-PMPSAXMXSA-N 2 1 352.479 -0.450 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC001330111827 849888650 /nfs/dbraw/zinc/88/86/50/849888650.db2.gz JWXHFXUVJOOACY-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC001330111827 849888642 /nfs/dbraw/zinc/88/86/42/849888642.db2.gz JWXHFXUVJOOACY-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC001330111827 849888636 /nfs/dbraw/zinc/88/86/36/849888636.db2.gz JWXHFXUVJOOACY-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC001330111827 849888628 /nfs/dbraw/zinc/88/86/28/849888628.db2.gz JWXHFXUVJOOACY-ARFHVFGLSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC001330111828 849888855 /nfs/dbraw/zinc/88/88/55/849888855.db2.gz JWXHFXUVJOOACY-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC001330111828 849888848 /nfs/dbraw/zinc/88/88/48/849888848.db2.gz JWXHFXUVJOOACY-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC001330111828 849888841 /nfs/dbraw/zinc/88/88/41/849888841.db2.gz JWXHFXUVJOOACY-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC001330111828 849888836 /nfs/dbraw/zinc/88/88/36/849888836.db2.gz JWXHFXUVJOOACY-BZUAXINKSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC001330111829 849888243 /nfs/dbraw/zinc/88/82/43/849888243.db2.gz JWXHFXUVJOOACY-HRCADAONSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC001330111829 849888231 /nfs/dbraw/zinc/88/82/31/849888231.db2.gz JWXHFXUVJOOACY-HRCADAONSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC001330111829 849888219 /nfs/dbraw/zinc/88/82/19/849888219.db2.gz JWXHFXUVJOOACY-HRCADAONSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC001330111829 849888208 /nfs/dbraw/zinc/88/82/08/849888208.db2.gz JWXHFXUVJOOACY-HRCADAONSA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC001330111830 849888383 /nfs/dbraw/zinc/88/83/83/849888383.db2.gz JWXHFXUVJOOACY-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC001330111830 849888374 /nfs/dbraw/zinc/88/83/74/849888374.db2.gz JWXHFXUVJOOACY-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC001330111830 849888363 /nfs/dbraw/zinc/88/83/63/849888363.db2.gz JWXHFXUVJOOACY-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC001330111830 849888359 /nfs/dbraw/zinc/88/83/59/849888359.db2.gz JWXHFXUVJOOACY-OWCLPIDISA-N 2 1 352.479 -0.236 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CCNS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC001330201029 849906784 /nfs/dbraw/zinc/90/67/84/849906784.db2.gz BSWGNGBPNNSWSD-MCIONIFRSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CCNS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC001330201029 849906774 /nfs/dbraw/zinc/90/67/74/849906774.db2.gz BSWGNGBPNNSWSD-MCIONIFRSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCNS(C)(=O)=O)CC2(C)C)CC[N@H+]1C ZINC001330201029 849906764 /nfs/dbraw/zinc/90/67/64/849906764.db2.gz BSWGNGBPNNSWSD-MCIONIFRSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCNS(C)(=O)=O)CC2(C)C)CC[N@@H+]1C ZINC001330201029 849906752 /nfs/dbraw/zinc/90/67/52/849906752.db2.gz BSWGNGBPNNSWSD-MCIONIFRSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC001330201030 849907305 /nfs/dbraw/zinc/90/73/05/849907305.db2.gz BSWGNGBPNNSWSD-MGPQQGTHSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC001330201030 849907294 /nfs/dbraw/zinc/90/72/94/849907294.db2.gz BSWGNGBPNNSWSD-MGPQQGTHSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)CC2(C)C)CC[N@H+]1C ZINC001330201030 849907286 /nfs/dbraw/zinc/90/72/86/849907286.db2.gz BSWGNGBPNNSWSD-MGPQQGTHSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)CC2(C)C)CC[N@@H+]1C ZINC001330201030 849907274 /nfs/dbraw/zinc/90/72/74/849907274.db2.gz BSWGNGBPNNSWSD-MGPQQGTHSA-N 2 1 360.524 -0.298 20 0 FBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330511206 849960249 /nfs/dbraw/zinc/96/02/49/849960249.db2.gz DRWSYFFOOVJMQK-ZIAGYGMSSA-N 2 1 350.467 -0.434 20 0 FBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001330521214 849961909 /nfs/dbraw/zinc/96/19/09/849961909.db2.gz SWCVSRXOXWOMOQ-LLVKDONJSA-N 2 1 350.423 -0.895 20 0 FBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001330521216 849962216 /nfs/dbraw/zinc/96/22/16/849962216.db2.gz SWCVSRXOXWOMOQ-NSHDSACASA-N 2 1 350.423 -0.895 20 0 FBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330543014 849967030 /nfs/dbraw/zinc/96/70/30/849967030.db2.gz DYTVNKOOZUYJLK-LLVKDONJSA-N 2 1 350.423 -0.943 20 0 FBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330543015 849967265 /nfs/dbraw/zinc/96/72/65/849967265.db2.gz DYTVNKOOZUYJLK-NSHDSACASA-N 2 1 350.423 -0.943 20 0 FBADMP OC[C@@H]1C[NH+](C[C@H](C[N@H+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671196 849983457 /nfs/dbraw/zinc/98/34/57/849983457.db2.gz DDPYOPMMMVDVLN-FKSLSLAPSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@@H]1C[NH+](C[C@H](C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671196 849983446 /nfs/dbraw/zinc/98/34/46/849983446.db2.gz DDPYOPMMMVDVLN-FKSLSLAPSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@@H]1C[N@@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671196 849983434 /nfs/dbraw/zinc/98/34/34/849983434.db2.gz DDPYOPMMMVDVLN-FKSLSLAPSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@@H]1C[N@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671196 849983427 /nfs/dbraw/zinc/98/34/27/849983427.db2.gz DDPYOPMMMVDVLN-FKSLSLAPSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[NH+](C[C@H](C[N@H+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671197 849983640 /nfs/dbraw/zinc/98/36/40/849983640.db2.gz DDPYOPMMMVDVLN-OYSTVDSJSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[NH+](C[C@H](C[N@@H+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671197 849983633 /nfs/dbraw/zinc/98/36/33/849983633.db2.gz DDPYOPMMMVDVLN-OYSTVDSJSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[N@@H+](C[C@H](C[NH+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671197 849983624 /nfs/dbraw/zinc/98/36/24/849983624.db2.gz DDPYOPMMMVDVLN-OYSTVDSJSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[N@H+](C[C@H](C[NH+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671197 849983621 /nfs/dbraw/zinc/98/36/21/849983621.db2.gz DDPYOPMMMVDVLN-OYSTVDSJSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@@H]1C[NH+](CC(C[N@H+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671198 849983880 /nfs/dbraw/zinc/98/38/80/849983880.db2.gz DDPYOPMMMVDVLN-VJANTYMQSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@@H]1C[NH+](CC(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671198 849983874 /nfs/dbraw/zinc/98/38/74/849983874.db2.gz DDPYOPMMMVDVLN-VJANTYMQSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[NH+](C[C@H](C[N@H+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671199 849983833 /nfs/dbraw/zinc/98/38/33/849983833.db2.gz DDPYOPMMMVDVLN-ZMGNVYRQSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[NH+](C[C@H](C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671199 849983828 /nfs/dbraw/zinc/98/38/28/849983828.db2.gz DDPYOPMMMVDVLN-ZMGNVYRQSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[N@@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671199 849983824 /nfs/dbraw/zinc/98/38/24/849983824.db2.gz DDPYOPMMMVDVLN-ZMGNVYRQSA-N 2 1 350.459 -0.660 20 0 FBADMP OC[C@H]1C[N@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2)C[C@@H]1O ZINC001330671199 849983817 /nfs/dbraw/zinc/98/38/17/849983817.db2.gz DDPYOPMMMVDVLN-ZMGNVYRQSA-N 2 1 350.459 -0.660 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001330701092 849989130 /nfs/dbraw/zinc/98/91/30/849989130.db2.gz CRDRYMIMSSCHGX-CVEARBPZSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001330701092 849989128 /nfs/dbraw/zinc/98/91/28/849989128.db2.gz CRDRYMIMSSCHGX-CVEARBPZSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001330701093 849989115 /nfs/dbraw/zinc/98/91/15/849989115.db2.gz CRDRYMIMSSCHGX-HOTGVXAUSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001330701093 849989108 /nfs/dbraw/zinc/98/91/08/849989108.db2.gz CRDRYMIMSSCHGX-HOTGVXAUSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001330701094 849989345 /nfs/dbraw/zinc/98/93/45/849989345.db2.gz CRDRYMIMSSCHGX-HZPDHXFCSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001330701094 849989335 /nfs/dbraw/zinc/98/93/35/849989335.db2.gz CRDRYMIMSSCHGX-HZPDHXFCSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001330701095 849988974 /nfs/dbraw/zinc/98/89/74/849988974.db2.gz CRDRYMIMSSCHGX-JKSUJKDBSA-N 2 1 357.495 -0.189 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001330701095 849988962 /nfs/dbraw/zinc/98/89/62/849988962.db2.gz CRDRYMIMSSCHGX-JKSUJKDBSA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+]1CCN(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC001330800583 850002604 /nfs/dbraw/zinc/00/26/04/850002604.db2.gz OTKNHQAMCDESOC-UHFFFAOYSA-N 2 1 351.495 -0.434 20 0 FBADMP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971482 850021627 /nfs/dbraw/zinc/02/16/27/850021627.db2.gz SYQDRVVIOQNDKE-CVEARBPZSA-N 2 1 356.536 -0.006 20 0 FBADMP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971483 850021764 /nfs/dbraw/zinc/02/17/64/850021764.db2.gz SYQDRVVIOQNDKE-HOTGVXAUSA-N 2 1 356.536 -0.006 20 0 FBADMP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971484 850021256 /nfs/dbraw/zinc/02/12/56/850021256.db2.gz SYQDRVVIOQNDKE-HZPDHXFCSA-N 2 1 356.536 -0.006 20 0 FBADMP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971485 850021709 /nfs/dbraw/zinc/02/17/09/850021709.db2.gz SYQDRVVIOQNDKE-JKSUJKDBSA-N 2 1 356.536 -0.006 20 0 FBADMP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971651 850021735 /nfs/dbraw/zinc/02/17/35/850021735.db2.gz VLDDWZRFUARXOW-HNNXBMFYSA-N 2 1 350.467 -0.595 20 0 FBADMP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001330971654 850021544 /nfs/dbraw/zinc/02/15/44/850021544.db2.gz VLDDWZRFUARXOW-OAHLLOKOSA-N 2 1 350.467 -0.595 20 0 FBADMP COC1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001330989999 850023539 /nfs/dbraw/zinc/02/35/39/850023539.db2.gz OEKSZDUAEVDNCL-INIZCTEOSA-N 2 1 354.495 -0.332 20 0 FBADMP COC1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001330990000 850023387 /nfs/dbraw/zinc/02/33/87/850023387.db2.gz OEKSZDUAEVDNCL-MRXNPFEDSA-N 2 1 354.495 -0.332 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCNS(C)(=O)=O)CC2)CC[NH+]1C ZINC001331029125 850027771 /nfs/dbraw/zinc/02/77/71/850027771.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCNS(C)(=O)=O)CC2)CC[NH+]1C ZINC001331029125 850027765 /nfs/dbraw/zinc/02/77/65/850027765.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001331029125 850027759 /nfs/dbraw/zinc/02/77/59/850027759.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 2 1 360.524 -0.201 20 0 FBADMP CN(C)CC[NH+]1CCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001331041087 850029358 /nfs/dbraw/zinc/02/93/58/850029358.db2.gz IAWXKTXWKMVDMX-DEOSSOPVSA-N 2 1 358.552 -0.123 20 0 FBADMP CN(C)CC[NH+]1CCC(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001331041136 850029411 /nfs/dbraw/zinc/02/94/11/850029411.db2.gz IAWXKTXWKMVDMX-XMMPIXPASA-N 2 1 358.552 -0.123 20 0 FBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001331090604 850035589 /nfs/dbraw/zinc/03/55/89/850035589.db2.gz UBBATEZZDWYKEO-SHTZXODSSA-N 2 1 352.479 -0.009 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)n1C ZINC001331113116 850038878 /nfs/dbraw/zinc/03/88/78/850038878.db2.gz BBBWZWNHVGSLCP-GFCCVEGCSA-N 2 1 350.467 -0.003 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)n1C ZINC001331113120 850038619 /nfs/dbraw/zinc/03/86/19/850038619.db2.gz BBBWZWNHVGSLCP-LBPRGKRZSA-N 2 1 350.467 -0.003 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001331122832 850041006 /nfs/dbraw/zinc/04/10/06/850041006.db2.gz LWRLOOKRSPNUAT-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001331122832 850040997 /nfs/dbraw/zinc/04/09/97/850040997.db2.gz LWRLOOKRSPNUAT-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001331122832 850040987 /nfs/dbraw/zinc/04/09/87/850040987.db2.gz LWRLOOKRSPNUAT-MCIONIFRSA-N 2 1 354.451 -0.804 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001331122833 850040771 /nfs/dbraw/zinc/04/07/71/850040771.db2.gz LWRLOOKRSPNUAT-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001331122833 850040766 /nfs/dbraw/zinc/04/07/66/850040766.db2.gz LWRLOOKRSPNUAT-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001331122833 850040760 /nfs/dbraw/zinc/04/07/60/850040760.db2.gz LWRLOOKRSPNUAT-MGPQQGTHSA-N 2 1 354.451 -0.804 20 0 FBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001331141844 850044026 /nfs/dbraw/zinc/04/40/26/850044026.db2.gz ZQKYQBSVVCGZPY-DZGCQCFKSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001331141845 850044051 /nfs/dbraw/zinc/04/40/51/850044051.db2.gz ZQKYQBSVVCGZPY-HIFRSBDPSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001331141846 850044092 /nfs/dbraw/zinc/04/40/92/850044092.db2.gz ZQKYQBSVVCGZPY-UKRRQHHQSA-N 2 1 350.463 -0.386 20 0 FBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001331141847 850044120 /nfs/dbraw/zinc/04/41/20/850044120.db2.gz ZQKYQBSVVCGZPY-ZFWWWQNUSA-N 2 1 350.463 -0.386 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331150571 850044706 /nfs/dbraw/zinc/04/47/06/850044706.db2.gz SZCDNEUHMMZUTN-CVEARBPZSA-N 2 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331150573 850044432 /nfs/dbraw/zinc/04/44/32/850044432.db2.gz SZCDNEUHMMZUTN-HOTGVXAUSA-N 2 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331150575 850044937 /nfs/dbraw/zinc/04/49/37/850044937.db2.gz SZCDNEUHMMZUTN-HZPDHXFCSA-N 2 1 353.511 -0.094 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331150577 850044485 /nfs/dbraw/zinc/04/44/85/850044485.db2.gz SZCDNEUHMMZUTN-JKSUJKDBSA-N 2 1 353.511 -0.094 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COC[C@H]3CCCO3)nn2)CC1 ZINC001331243051 850057297 /nfs/dbraw/zinc/05/72/97/850057297.db2.gz IPXUQBSSPSLJBU-DLBZAZTESA-N 2 1 353.467 -0.200 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COC[C@H]3CCCO3)nn2)CC1 ZINC001331243053 850057098 /nfs/dbraw/zinc/05/70/98/850057098.db2.gz IPXUQBSSPSLJBU-IAGOWNOFSA-N 2 1 353.467 -0.200 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COC[C@@H]3CCCO3)nn2)CC1 ZINC001331243054 850057117 /nfs/dbraw/zinc/05/71/17/850057117.db2.gz IPXUQBSSPSLJBU-IRXDYDNUSA-N 2 1 353.467 -0.200 20 0 FBADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COC[C@@H]3CCCO3)nn2)CC1 ZINC001331243056 850056801 /nfs/dbraw/zinc/05/68/01/850056801.db2.gz IPXUQBSSPSLJBU-SJORKVTESA-N 2 1 353.467 -0.200 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001331290699 850062201 /nfs/dbraw/zinc/06/22/01/850062201.db2.gz VXYKMHFOZLNGJL-BFHYXJOUSA-N 2 1 358.508 -0.967 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001331290700 850062258 /nfs/dbraw/zinc/06/22/58/850062258.db2.gz VXYKMHFOZLNGJL-MCIONIFRSA-N 2 1 358.508 -0.967 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001331290701 850062738 /nfs/dbraw/zinc/06/27/38/850062738.db2.gz VXYKMHFOZLNGJL-MGPQQGTHSA-N 2 1 358.508 -0.967 20 0 FBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001331290702 850062549 /nfs/dbraw/zinc/06/25/49/850062549.db2.gz VXYKMHFOZLNGJL-MJBXVCDLSA-N 2 1 358.508 -0.967 20 0 FBADMP COCCC1(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC001331370515 850070018 /nfs/dbraw/zinc/07/00/18/850070018.db2.gz VXOSMLZKNHNPSQ-UHFFFAOYSA-N 2 1 355.483 -0.392 20 0 FBADMP O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331426736 850075900 /nfs/dbraw/zinc/07/59/00/850075900.db2.gz OVWQPISJKBOMJJ-INIZCTEOSA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(COC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331426739 850075681 /nfs/dbraw/zinc/07/56/81/850075681.db2.gz OVWQPISJKBOMJJ-MRXNPFEDSA-N 2 1 354.495 -0.332 20 0 FBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001331453803 850078022 /nfs/dbraw/zinc/07/80/22/850078022.db2.gz ASORRLLDRDWDRJ-BFHYXJOUSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001331453804 850078101 /nfs/dbraw/zinc/07/81/01/850078101.db2.gz ASORRLLDRDWDRJ-MGPQQGTHSA-N 2 1 353.467 -0.295 20 0 FBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001331455480 850077760 /nfs/dbraw/zinc/07/77/60/850077760.db2.gz NNIYDSNEDHWSKJ-OUCADQQQSA-N 2 1 353.467 -0.249 20 0 FBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001331455482 850078154 /nfs/dbraw/zinc/07/81/54/850078154.db2.gz NNIYDSNEDHWSKJ-YRGRVCCFSA-N 2 1 353.467 -0.249 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(CC1)COCCO3)C2=O ZINC001331508893 850083352 /nfs/dbraw/zinc/08/33/52/850083352.db2.gz PAEDUKZETKCQDE-UHFFFAOYSA-N 2 1 352.435 -0.159 20 0 FBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC001331567956 850088832 /nfs/dbraw/zinc/08/88/32/850088832.db2.gz FXAIDAQTFKMAOG-HNNXBMFYSA-N 2 1 355.483 -0.657 20 0 FBADMP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOCC1 ZINC001331569067 850088964 /nfs/dbraw/zinc/08/89/64/850088964.db2.gz LTDJMLOBLJHBKJ-UHFFFAOYSA-N 2 1 356.467 -0.325 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC001331576190 850089650 /nfs/dbraw/zinc/08/96/50/850089650.db2.gz WEXYEJMFVZAZFE-ILXRZTDVSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC001331576262 850090208 /nfs/dbraw/zinc/09/02/08/850090208.db2.gz WEXYEJMFVZAZFE-KFWWJZLASA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC001331576264 850089730 /nfs/dbraw/zinc/08/97/30/850089730.db2.gz WEXYEJMFVZAZFE-QLFBSQMISA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC001331576267 850089334 /nfs/dbraw/zinc/08/93/34/850089334.db2.gz WEXYEJMFVZAZFE-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589520 850092458 /nfs/dbraw/zinc/09/24/58/850092458.db2.gz IRFHIKZNEGFRFD-ILXRZTDVSA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589520 850092450 /nfs/dbraw/zinc/09/24/50/850092450.db2.gz IRFHIKZNEGFRFD-ILXRZTDVSA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589521 850092252 /nfs/dbraw/zinc/09/22/52/850092252.db2.gz IRFHIKZNEGFRFD-KFWWJZLASA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589521 850092239 /nfs/dbraw/zinc/09/22/39/850092239.db2.gz IRFHIKZNEGFRFD-KFWWJZLASA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589522 850092205 /nfs/dbraw/zinc/09/22/05/850092205.db2.gz IRFHIKZNEGFRFD-KKUMJFAQSA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589522 850092195 /nfs/dbraw/zinc/09/21/95/850092195.db2.gz IRFHIKZNEGFRFD-KKUMJFAQSA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589615 850092146 /nfs/dbraw/zinc/09/21/46/850092146.db2.gz IRFHIKZNEGFRFD-ZNMIVQPWSA-N 2 1 351.495 -0.343 20 0 FBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589615 850092137 /nfs/dbraw/zinc/09/21/37/850092137.db2.gz IRFHIKZNEGFRFD-ZNMIVQPWSA-N 2 1 351.495 -0.343 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H](C)C1 ZINC001331590086 850091778 /nfs/dbraw/zinc/09/17/78/850091778.db2.gz MHUHFWOQDJCXGW-FXUDXRNXSA-N 2 1 352.479 -0.188 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H](C)C1 ZINC001331590087 850092533 /nfs/dbraw/zinc/09/25/33/850092533.db2.gz MHUHFWOQDJCXGW-UGUYLWEFSA-N 2 1 352.479 -0.188 20 0 FBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H](C)C1 ZINC001331590088 850092077 /nfs/dbraw/zinc/09/20/77/850092077.db2.gz MHUHFWOQDJCXGW-VGWMRTNUSA-N 2 1 352.479 -0.188 20 0 FBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H](C)C1 ZINC001331590089 850091869 /nfs/dbraw/zinc/09/18/69/850091869.db2.gz MHUHFWOQDJCXGW-YHUYYLMFSA-N 2 1 352.479 -0.188 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC001331604485 850094539 /nfs/dbraw/zinc/09/45/39/850094539.db2.gz RQTFDAXCXRYNGJ-CVEARBPZSA-N 2 1 353.511 -0.415 20 0 FBADMP CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC001331604486 850094598 /nfs/dbraw/zinc/09/45/98/850094598.db2.gz RQTFDAXCXRYNGJ-HOTGVXAUSA-N 2 1 353.511 -0.415 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC001331604489 850094444 /nfs/dbraw/zinc/09/44/44/850094444.db2.gz RQTFDAXCXRYNGJ-HZPDHXFCSA-N 2 1 353.511 -0.415 20 0 FBADMP CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC001331604492 850094331 /nfs/dbraw/zinc/09/43/31/850094331.db2.gz RQTFDAXCXRYNGJ-JKSUJKDBSA-N 2 1 353.511 -0.415 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2c(C)nnn2CC)CC[N@H+]1C ZINC001331711131 850112675 /nfs/dbraw/zinc/11/26/75/850112675.db2.gz FOYDRUDHCBTLOK-QLFBSQMISA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2c(C)nnn2CC)CC[N@@H+]1C ZINC001331711131 850112666 /nfs/dbraw/zinc/11/26/66/850112666.db2.gz FOYDRUDHCBTLOK-QLFBSQMISA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2c(C)nnn2CC)CC[N@H+]1C ZINC001331711138 850113264 /nfs/dbraw/zinc/11/32/64/850113264.db2.gz FOYDRUDHCBTLOK-SOUVJXGZSA-N 2 1 352.483 -0.097 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2c(C)nnn2CC)CC[N@@H+]1C ZINC001331711138 850113257 /nfs/dbraw/zinc/11/32/57/850113257.db2.gz FOYDRUDHCBTLOK-SOUVJXGZSA-N 2 1 352.483 -0.097 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001331711811 850112740 /nfs/dbraw/zinc/11/27/40/850112740.db2.gz KBCLEXWXBKAYML-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001331711813 850113344 /nfs/dbraw/zinc/11/33/44/850113344.db2.gz KBCLEXWXBKAYML-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001331713148 850113407 /nfs/dbraw/zinc/11/34/07/850113407.db2.gz WNFSXSBDZDXSJN-FRRDWIJNSA-N 2 1 353.423 -0.590 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001331713148 850113404 /nfs/dbraw/zinc/11/34/04/850113404.db2.gz WNFSXSBDZDXSJN-FRRDWIJNSA-N 2 1 353.423 -0.590 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001331713149 850113102 /nfs/dbraw/zinc/11/31/02/850113102.db2.gz WNFSXSBDZDXSJN-RWMBFGLXSA-N 2 1 353.423 -0.590 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001331713149 850113094 /nfs/dbraw/zinc/11/30/94/850113094.db2.gz WNFSXSBDZDXSJN-RWMBFGLXSA-N 2 1 353.423 -0.590 20 0 FBADMP COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC001331761215 850122467 /nfs/dbraw/zinc/12/24/67/850122467.db2.gz GPLPDZRBAMXGCB-LLVKDONJSA-N 2 1 350.423 -0.359 20 0 FBADMP COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC001331761222 850122374 /nfs/dbraw/zinc/12/23/74/850122374.db2.gz GPLPDZRBAMXGCB-NSHDSACASA-N 2 1 350.423 -0.359 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001331809871 850132430 /nfs/dbraw/zinc/13/24/30/850132430.db2.gz KDLFKXHSSVCICU-ARFHVFGLSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001331809871 850132423 /nfs/dbraw/zinc/13/24/23/850132423.db2.gz KDLFKXHSSVCICU-ARFHVFGLSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331809871 850132414 /nfs/dbraw/zinc/13/24/14/850132414.db2.gz KDLFKXHSSVCICU-ARFHVFGLSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001331809873 850132553 /nfs/dbraw/zinc/13/25/53/850132553.db2.gz KDLFKXHSSVCICU-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001331809873 850132547 /nfs/dbraw/zinc/13/25/47/850132547.db2.gz KDLFKXHSSVCICU-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP CN1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331809873 850132542 /nfs/dbraw/zinc/13/25/42/850132542.db2.gz KDLFKXHSSVCICU-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331906935 850144864 /nfs/dbraw/zinc/14/48/64/850144864.db2.gz ZCPSZHNJTKKUHH-YESZJQIVSA-N 2 1 351.495 -0.071 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331906936 850144391 /nfs/dbraw/zinc/14/43/91/850144391.db2.gz ZCPSZHNJTKKUHH-ZACQAIPSSA-N 2 1 351.495 -0.071 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@H]3CNCCS3(=O)=O)cn2)CC1 ZINC001331982307 850152711 /nfs/dbraw/zinc/15/27/11/850152711.db2.gz YMRWTEBKIXUNIZ-HNNXBMFYSA-N 2 1 368.507 -0.905 20 0 FBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@H]3CNCCS3(=O)=O)cn2)CC1 ZINC001331982309 850152120 /nfs/dbraw/zinc/15/21/20/850152120.db2.gz YMRWTEBKIXUNIZ-OAHLLOKOSA-N 2 1 368.507 -0.905 20 0 FBADMP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001331999796 850155318 /nfs/dbraw/zinc/15/53/18/850155318.db2.gz GCUMFIIFHWMMQG-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001331999796 850155311 /nfs/dbraw/zinc/15/53/11/850155311.db2.gz GCUMFIIFHWMMQG-OWCLPIDISA-N 2 1 350.463 -0.339 20 0 FBADMP [NH3+]C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076576 850168899 /nfs/dbraw/zinc/16/88/99/850168899.db2.gz GJHAFCNPWXPAQU-FUHWJXTLSA-N 2 1 354.495 -0.345 20 0 FBADMP [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076577 850169386 /nfs/dbraw/zinc/16/93/86/850169386.db2.gz GJHAFCNPWXPAQU-SJLPKXTDSA-N 2 1 354.495 -0.345 20 0 FBADMP [NH3+]C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076579 850169495 /nfs/dbraw/zinc/16/94/95/850169495.db2.gz GJHAFCNPWXPAQU-WMZOPIPTSA-N 2 1 354.495 -0.345 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001332076670 850168962 /nfs/dbraw/zinc/16/89/62/850168962.db2.gz IDWSUDRHTZSJQC-BQFCYCMXSA-N 2 1 352.479 -0.865 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001332076671 850169114 /nfs/dbraw/zinc/16/91/14/850169114.db2.gz IDWSUDRHTZSJQC-JZXOWHBKSA-N 2 1 352.479 -0.865 20 0 FBADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332215071 850184527 /nfs/dbraw/zinc/18/45/27/850184527.db2.gz JTNBYKKZXGUTEB-GJZGRUSLSA-N 2 1 350.463 -0.290 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001332235775 850186910 /nfs/dbraw/zinc/18/69/10/850186910.db2.gz PQUPKQUYOBMEMP-BZUAXINKSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001332235780 850186407 /nfs/dbraw/zinc/18/64/07/850186407.db2.gz PQUPKQUYOBMEMP-OAGGEKHMSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001332235784 850187047 /nfs/dbraw/zinc/18/70/47/850187047.db2.gz PQUPKQUYOBMEMP-OWCLPIDISA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001332235786 850186512 /nfs/dbraw/zinc/18/65/12/850186512.db2.gz PQUPKQUYOBMEMP-PMPSAXMXSA-N 2 1 352.479 -0.188 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001332237412 850187864 /nfs/dbraw/zinc/18/78/64/850187864.db2.gz XJBRPSMKIDEHOC-HDMKZQKVSA-N 2 1 352.479 -0.473 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001332237413 850188010 /nfs/dbraw/zinc/18/80/10/850188010.db2.gz XJBRPSMKIDEHOC-RLFYNMQTSA-N 2 1 352.479 -0.473 20 0 FBADMP O=C(c1ccc2c(c1)C[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001332276438 850192581 /nfs/dbraw/zinc/19/25/81/850192581.db2.gz AOIQYLJIRJYOKZ-UHFFFAOYSA-N 2 1 364.471 -0.608 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288458 850195728 /nfs/dbraw/zinc/19/57/28/850195728.db2.gz REQSKSKDURJOAM-BARDWOONSA-N 3 1 351.451 -0.949 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288459 850196234 /nfs/dbraw/zinc/19/62/34/850196234.db2.gz REQSKSKDURJOAM-TUVASFSCSA-N 3 1 351.451 -0.949 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288460 850196354 /nfs/dbraw/zinc/19/63/54/850196354.db2.gz REQSKSKDURJOAM-XQLPTFJDSA-N 3 1 351.451 -0.949 20 0 FBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288461 850195884 /nfs/dbraw/zinc/19/58/84/850195884.db2.gz REQSKSKDURJOAM-YJNKXOJESA-N 3 1 351.451 -0.949 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001332326739 850203851 /nfs/dbraw/zinc/20/38/51/850203851.db2.gz OVUKEIGAJWZGNS-WKILWMFISA-N 2 1 353.511 -0.284 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001332346498 850206301 /nfs/dbraw/zinc/20/63/01/850206301.db2.gz RTSQTFWDTBWOTL-CABCVRRESA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001332346498 850206288 /nfs/dbraw/zinc/20/62/88/850206288.db2.gz RTSQTFWDTBWOTL-CABCVRRESA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001332346499 850206950 /nfs/dbraw/zinc/20/69/50/850206950.db2.gz RTSQTFWDTBWOTL-GJZGRUSLSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001332346499 850206943 /nfs/dbraw/zinc/20/69/43/850206943.db2.gz RTSQTFWDTBWOTL-GJZGRUSLSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001332346500 850207053 /nfs/dbraw/zinc/20/70/53/850207053.db2.gz RTSQTFWDTBWOTL-HUUCEWRRSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001332346500 850207039 /nfs/dbraw/zinc/20/70/39/850207039.db2.gz RTSQTFWDTBWOTL-HUUCEWRRSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001332346501 850206641 /nfs/dbraw/zinc/20/66/41/850206641.db2.gz RTSQTFWDTBWOTL-LSDHHAIUSA-N 2 1 353.511 -0.143 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001332346501 850206633 /nfs/dbraw/zinc/20/66/33/850206633.db2.gz RTSQTFWDTBWOTL-LSDHHAIUSA-N 2 1 353.511 -0.143 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)CC[N@H+]1C ZINC001332381305 850213297 /nfs/dbraw/zinc/21/32/97/850213297.db2.gz VJXDIWGHEXSTGC-MCIONIFRSA-N 2 1 360.524 -0.298 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)CC[N@H+]1C ZINC001332381306 850213654 /nfs/dbraw/zinc/21/36/54/850213654.db2.gz VJXDIWGHEXSTGC-MGPQQGTHSA-N 2 1 360.524 -0.298 20 0 FBADMP O=S1(=O)CCNC[C@@H]1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001332392333 850216926 /nfs/dbraw/zinc/21/69/26/850216926.db2.gz HHAQLALSLIJXOW-KRWDZBQOSA-N 2 1 374.551 -0.851 20 0 FBADMP O=S1(=O)CCNC[C@H]1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001332392337 850217419 /nfs/dbraw/zinc/21/74/19/850217419.db2.gz HHAQLALSLIJXOW-QGZVFWFLSA-N 2 1 374.551 -0.851 20 0 FBADMP [NH3+]CCOCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001332448966 850224360 /nfs/dbraw/zinc/22/43/60/850224360.db2.gz CEQWILOONPJAQQ-UHFFFAOYSA-N 2 1 356.467 -0.961 20 0 FBADMP CO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001332461643 850224661 /nfs/dbraw/zinc/22/46/61/850224661.db2.gz GCUMFIIFHWMMQG-XHSDSOJGSA-N 2 1 350.463 -0.339 20 0 FBADMP CO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001332461643 850224656 /nfs/dbraw/zinc/22/46/56/850224656.db2.gz GCUMFIIFHWMMQG-XHSDSOJGSA-N 2 1 350.463 -0.339 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001332470079 850226767 /nfs/dbraw/zinc/22/67/67/850226767.db2.gz MWPKEZGFINCZRD-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001332470079 850226744 /nfs/dbraw/zinc/22/67/44/850226744.db2.gz MWPKEZGFINCZRD-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001332470079 850226739 /nfs/dbraw/zinc/22/67/39/850226739.db2.gz MWPKEZGFINCZRD-BZUAXINKSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001332470081 850226978 /nfs/dbraw/zinc/22/69/78/850226978.db2.gz MWPKEZGFINCZRD-OAGGEKHMSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001332470081 850226965 /nfs/dbraw/zinc/22/69/65/850226965.db2.gz MWPKEZGFINCZRD-OAGGEKHMSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001332470081 850226959 /nfs/dbraw/zinc/22/69/59/850226959.db2.gz MWPKEZGFINCZRD-OAGGEKHMSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001332470083 850226569 /nfs/dbraw/zinc/22/65/69/850226569.db2.gz MWPKEZGFINCZRD-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001332470083 850226556 /nfs/dbraw/zinc/22/65/56/850226556.db2.gz MWPKEZGFINCZRD-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001332470083 850226545 /nfs/dbraw/zinc/22/65/45/850226545.db2.gz MWPKEZGFINCZRD-OWCLPIDISA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001332470084 850226906 /nfs/dbraw/zinc/22/69/06/850226906.db2.gz MWPKEZGFINCZRD-PMPSAXMXSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001332470084 850226898 /nfs/dbraw/zinc/22/68/98/850226898.db2.gz MWPKEZGFINCZRD-PMPSAXMXSA-N 2 1 354.495 -0.395 20 0 FBADMP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001332470084 850226883 /nfs/dbraw/zinc/22/68/83/850226883.db2.gz MWPKEZGFINCZRD-PMPSAXMXSA-N 2 1 354.495 -0.395 20 0 FBADMP C[NH2+][C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cnn(C)c1 ZINC001332498822 850230446 /nfs/dbraw/zinc/23/04/46/850230446.db2.gz BEMUJVAURRBDLA-INIZCTEOSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cnn(C)c1 ZINC001332498824 850229844 /nfs/dbraw/zinc/22/98/44/850229844.db2.gz BEMUJVAURRBDLA-MRXNPFEDSA-N 2 1 350.467 -0.261 20 0 FBADMP C[NH+](C)C[C@@]1(O)CCCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001332504515 850230426 /nfs/dbraw/zinc/23/04/26/850230426.db2.gz CGIZKZDFFWEBMP-INIZCTEOSA-N 2 1 353.471 -0.712 20 0 FBADMP C[NH+](C)C[C@]1(O)CCCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001332504516 850230167 /nfs/dbraw/zinc/23/01/67/850230167.db2.gz CGIZKZDFFWEBMP-MRXNPFEDSA-N 2 1 353.471 -0.712 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001332518323 850232465 /nfs/dbraw/zinc/23/24/65/850232465.db2.gz QBAFCEUECSAQAP-HRCADAONSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001332518324 850232444 /nfs/dbraw/zinc/23/24/44/850232444.db2.gz QBAFCEUECSAQAP-OWCLPIDISA-N 2 1 354.495 -0.252 20 0 FBADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001332571527 850239639 /nfs/dbraw/zinc/23/96/39/850239639.db2.gz BSRDBOPVYNHMFU-BBWFWOEESA-N 2 1 351.495 -0.356 20 0 FBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001332571528 850239666 /nfs/dbraw/zinc/23/96/66/850239666.db2.gz BSRDBOPVYNHMFU-IXDOHACOSA-N 2 1 351.495 -0.356 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001332581381 850241438 /nfs/dbraw/zinc/24/14/38/850241438.db2.gz ZCMVECCGVARYTG-CHWSQXEVSA-N 2 1 359.421 -0.163 20 0 FBADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001332581382 850241488 /nfs/dbraw/zinc/24/14/88/850241488.db2.gz ZCMVECCGVARYTG-OLZOCXBDSA-N 2 1 359.421 -0.163 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001332581383 850241637 /nfs/dbraw/zinc/24/16/37/850241637.db2.gz ZCMVECCGVARYTG-QWHCGFSZSA-N 2 1 359.421 -0.163 20 0 FBADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001332581384 850241196 /nfs/dbraw/zinc/24/11/96/850241196.db2.gz ZCMVECCGVARYTG-STQMWFEESA-N 2 1 359.421 -0.163 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(C)C)CC[NH+]1C ZINC001332631636 850251134 /nfs/dbraw/zinc/25/11/34/850251134.db2.gz JXXYZPZQFUWRFE-HRCADAONSA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(C)C)CC[NH+]1C ZINC001332631636 850251125 /nfs/dbraw/zinc/25/11/25/850251125.db2.gz JXXYZPZQFUWRFE-HRCADAONSA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)NC(C)C)CC[N@H+]1C ZINC001332631636 850251116 /nfs/dbraw/zinc/25/11/16/850251116.db2.gz JXXYZPZQFUWRFE-HRCADAONSA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=O)NC(C)C)CC[N@@H+]1C ZINC001332631636 850251107 /nfs/dbraw/zinc/25/11/07/850251107.db2.gz JXXYZPZQFUWRFE-HRCADAONSA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(C)C)CC[NH+]1C ZINC001332631639 850251350 /nfs/dbraw/zinc/25/13/50/850251350.db2.gz JXXYZPZQFUWRFE-OWCLPIDISA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(C)C)CC[NH+]1C ZINC001332631639 850251345 /nfs/dbraw/zinc/25/13/45/850251345.db2.gz JXXYZPZQFUWRFE-OWCLPIDISA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)C)CC[N@H+]1C ZINC001332631639 850251334 /nfs/dbraw/zinc/25/13/34/850251334.db2.gz JXXYZPZQFUWRFE-OWCLPIDISA-N 2 1 356.511 -0.008 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)C)CC[N@@H+]1C ZINC001332631639 850251327 /nfs/dbraw/zinc/25/13/27/850251327.db2.gz JXXYZPZQFUWRFE-OWCLPIDISA-N 2 1 356.511 -0.008 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC001332691992 850263103 /nfs/dbraw/zinc/26/31/03/850263103.db2.gz FMGFXNREBDQKGV-UHFFFAOYSA-N 2 1 353.511 -0.282 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001332694365 850263035 /nfs/dbraw/zinc/26/30/35/850263035.db2.gz VTPYZFTUFPVVBF-CVEARBPZSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001332694558 850262766 /nfs/dbraw/zinc/26/27/66/850262766.db2.gz VTPYZFTUFPVVBF-HOTGVXAUSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001332694560 850263168 /nfs/dbraw/zinc/26/31/68/850263168.db2.gz VTPYZFTUFPVVBF-HZPDHXFCSA-N 2 1 352.479 -0.044 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001332694561 850263011 /nfs/dbraw/zinc/26/30/11/850263011.db2.gz VTPYZFTUFPVVBF-JKSUJKDBSA-N 2 1 352.479 -0.044 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816227 850283678 /nfs/dbraw/zinc/28/36/78/850283678.db2.gz RBPYZXRGMWEIES-BZUAXINKSA-N 2 1 356.467 -0.770 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816228 850283205 /nfs/dbraw/zinc/28/32/05/850283205.db2.gz RBPYZXRGMWEIES-OAGGEKHMSA-N 2 1 356.467 -0.770 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816229 850283081 /nfs/dbraw/zinc/28/30/81/850283081.db2.gz RBPYZXRGMWEIES-OWCLPIDISA-N 2 1 356.467 -0.770 20 0 FBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816230 850283328 /nfs/dbraw/zinc/28/33/28/850283328.db2.gz RBPYZXRGMWEIES-PMPSAXMXSA-N 2 1 356.467 -0.770 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332816654 850283248 /nfs/dbraw/zinc/28/32/48/850283248.db2.gz VMMFCIZPRJRFLA-CLWVCHIJSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332816656 850283286 /nfs/dbraw/zinc/28/32/86/850283286.db2.gz VMMFCIZPRJRFLA-UGQVUOCMSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332816659 850283114 /nfs/dbraw/zinc/28/31/14/850283114.db2.gz VMMFCIZPRJRFLA-XNISGKROSA-N 2 1 355.435 -0.590 20 0 FBADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332816662 850283622 /nfs/dbraw/zinc/28/36/22/850283622.db2.gz VMMFCIZPRJRFLA-XOUADPBQSA-N 2 1 355.435 -0.590 20 0 FBADMP C[C@@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@H](C)[NH+](C)C)[nH]1)[NH+](C)C ZINC001332830565 850285833 /nfs/dbraw/zinc/28/58/33/850285833.db2.gz SPIVBQBJZXKMMG-RYUDHWBXSA-N 2 1 351.451 -0.265 20 0 FBADMP C[C@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@H](C)[NH+](C)C)[nH]1)[NH+](C)C ZINC001332830567 850285354 /nfs/dbraw/zinc/28/53/54/850285354.db2.gz SPIVBQBJZXKMMG-TXEJJXNPSA-N 2 1 351.451 -0.265 20 0 FBADMP C[C@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@@H](C)[NH+](C)C)[nH]1)[NH+](C)C ZINC001332830568 850285973 /nfs/dbraw/zinc/28/59/73/850285973.db2.gz SPIVBQBJZXKMMG-VXGBXAGGSA-N 2 1 351.451 -0.265 20 0 FBADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001332946023 850301117 /nfs/dbraw/zinc/30/11/17/850301117.db2.gz ROJCFYFGTUBUGV-JKSUJKDBSA-N 2 1 352.479 -0.403 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001332983241 850306649 /nfs/dbraw/zinc/30/66/49/850306649.db2.gz ZCSROCUEGNPKEC-HNNXBMFYSA-N 2 1 356.467 -0.950 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001332983242 850306026 /nfs/dbraw/zinc/30/60/26/850306026.db2.gz ZCSROCUEGNPKEC-OAHLLOKOSA-N 2 1 356.467 -0.950 20 0 FBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001332990241 850306632 /nfs/dbraw/zinc/30/66/32/850306632.db2.gz BFSPMVDCUMZZEM-HRCADAONSA-N 2 1 353.511 -0.558 20 0 FBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001332990242 850306458 /nfs/dbraw/zinc/30/64/58/850306458.db2.gz BFSPMVDCUMZZEM-OAGGEKHMSA-N 2 1 353.511 -0.558 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001333008417 850309348 /nfs/dbraw/zinc/30/93/48/850309348.db2.gz DVSYIDBQJZDRQG-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001333008417 850309338 /nfs/dbraw/zinc/30/93/38/850309338.db2.gz DVSYIDBQJZDRQG-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC001333008417 850309332 /nfs/dbraw/zinc/30/93/32/850309332.db2.gz DVSYIDBQJZDRQG-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001333008418 850308916 /nfs/dbraw/zinc/30/89/16/850308916.db2.gz DVSYIDBQJZDRQG-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001333008418 850308907 /nfs/dbraw/zinc/30/89/07/850308907.db2.gz DVSYIDBQJZDRQG-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC001333008418 850308895 /nfs/dbraw/zinc/30/88/95/850308895.db2.gz DVSYIDBQJZDRQG-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001333008419 850309567 /nfs/dbraw/zinc/30/95/67/850309567.db2.gz DVSYIDBQJZDRQG-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001333008419 850309560 /nfs/dbraw/zinc/30/95/60/850309560.db2.gz DVSYIDBQJZDRQG-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC001333008419 850309553 /nfs/dbraw/zinc/30/95/53/850309553.db2.gz DVSYIDBQJZDRQG-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001333008420 850309227 /nfs/dbraw/zinc/30/92/27/850309227.db2.gz DVSYIDBQJZDRQG-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001333008420 850309214 /nfs/dbraw/zinc/30/92/14/850309214.db2.gz DVSYIDBQJZDRQG-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC001333008420 850309205 /nfs/dbraw/zinc/30/92/05/850309205.db2.gz DVSYIDBQJZDRQG-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)CC1(O)CCOCC1 ZINC001333008781 850309116 /nfs/dbraw/zinc/30/91/16/850309116.db2.gz JJFIJICCGXIBFO-INIZCTEOSA-N 2 1 358.479 -0.562 20 0 FBADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)CC1(O)CCOCC1 ZINC001333008784 850308691 /nfs/dbraw/zinc/30/86/91/850308691.db2.gz JJFIJICCGXIBFO-MRXNPFEDSA-N 2 1 358.479 -0.562 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001333071255 850317277 /nfs/dbraw/zinc/31/72/77/850317277.db2.gz UIZXAQOFEGNZND-PFSRBDOWSA-N 2 1 360.524 -0.155 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157720 850329881 /nfs/dbraw/zinc/32/98/81/850329881.db2.gz IYFLKQWVRUQWTH-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157720 850329867 /nfs/dbraw/zinc/32/98/67/850329867.db2.gz IYFLKQWVRUQWTH-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1C ZINC001333157720 850329858 /nfs/dbraw/zinc/32/98/58/850329858.db2.gz IYFLKQWVRUQWTH-FMKPAKJESA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157722 850330094 /nfs/dbraw/zinc/33/00/94/850330094.db2.gz IYFLKQWVRUQWTH-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157722 850330080 /nfs/dbraw/zinc/33/00/80/850330080.db2.gz IYFLKQWVRUQWTH-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1C ZINC001333157722 850330068 /nfs/dbraw/zinc/33/00/68/850330068.db2.gz IYFLKQWVRUQWTH-IIAWOOMASA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157725 850330274 /nfs/dbraw/zinc/33/02/74/850330274.db2.gz IYFLKQWVRUQWTH-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157725 850330267 /nfs/dbraw/zinc/33/02/67/850330267.db2.gz IYFLKQWVRUQWTH-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1C ZINC001333157725 850330258 /nfs/dbraw/zinc/33/02/58/850330258.db2.gz IYFLKQWVRUQWTH-IJEWVQPXSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157728 850329986 /nfs/dbraw/zinc/32/99/86/850329986.db2.gz IYFLKQWVRUQWTH-YCPHGPKFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1C ZINC001333157728 850329973 /nfs/dbraw/zinc/32/99/73/850329973.db2.gz IYFLKQWVRUQWTH-YCPHGPKFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1C ZINC001333157728 850329961 /nfs/dbraw/zinc/32/99/61/850329961.db2.gz IYFLKQWVRUQWTH-YCPHGPKFSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH2+]CCO)CC[N@H+]1C ZINC001333165183 850333192 /nfs/dbraw/zinc/33/31/92/850333192.db2.gz HTVWHDKVSJRPTK-BZUAXINKSA-N 2 1 354.495 -0.204 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH2+]CCO)CC[N@H+]1C ZINC001333165184 850333170 /nfs/dbraw/zinc/33/31/70/850333170.db2.gz HTVWHDKVSJRPTK-OWCLPIDISA-N 2 1 354.495 -0.204 20 0 FBADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC001333272869 850346910 /nfs/dbraw/zinc/34/69/10/850346910.db2.gz KXMFTCATZWFXSK-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC001333272870 850347061 /nfs/dbraw/zinc/34/70/61/850347061.db2.gz KXMFTCATZWFXSK-HOTGVXAUSA-N 2 1 352.479 -0.090 20 0 FBADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC001333272871 850346854 /nfs/dbraw/zinc/34/68/54/850346854.db2.gz KXMFTCATZWFXSK-HZPDHXFCSA-N 2 1 352.479 -0.090 20 0 FBADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC001333272873 850347307 /nfs/dbraw/zinc/34/73/07/850347307.db2.gz KXMFTCATZWFXSK-JKSUJKDBSA-N 2 1 352.479 -0.090 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](CCNS(C)(=O)=O)CC2)CC[NH+]1C ZINC001333341877 850356752 /nfs/dbraw/zinc/35/67/52/850356752.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 1 358.508 -0.376 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](CCNS(C)(=O)=O)CC2)CC[NH+]1C ZINC001333341877 850356742 /nfs/dbraw/zinc/35/67/42/850356742.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 1 358.508 -0.376 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001333341877 850356735 /nfs/dbraw/zinc/35/67/35/850356735.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 1 358.508 -0.376 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001333341877 850356729 /nfs/dbraw/zinc/35/67/29/850356729.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 1 358.508 -0.376 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001333341877 850356722 /nfs/dbraw/zinc/35/67/22/850356722.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 1 358.508 -0.376 20 0 FBADMP C[S@](=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC[NH2+]CC1 ZINC001333354242 850357986 /nfs/dbraw/zinc/35/79/86/850357986.db2.gz LBXJBHDUECOTHL-DEOSSOPVSA-N 2 1 351.476 -0.070 20 0 FBADMP C[S@@](=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC[NH2+]CC1 ZINC001333354245 850357910 /nfs/dbraw/zinc/35/79/10/850357910.db2.gz LBXJBHDUECOTHL-XMMPIXPASA-N 2 1 351.476 -0.070 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001333360923 850358517 /nfs/dbraw/zinc/35/85/17/850358517.db2.gz OBAIARAACYUOEU-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001333360923 850358505 /nfs/dbraw/zinc/35/85/05/850358505.db2.gz OBAIARAACYUOEU-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001333360923 850358491 /nfs/dbraw/zinc/35/84/91/850358491.db2.gz OBAIARAACYUOEU-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001333360923 850358477 /nfs/dbraw/zinc/35/84/77/850358477.db2.gz OBAIARAACYUOEU-CABCVRRESA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001333360924 850358651 /nfs/dbraw/zinc/35/86/51/850358651.db2.gz OBAIARAACYUOEU-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001333360924 850358641 /nfs/dbraw/zinc/35/86/41/850358641.db2.gz OBAIARAACYUOEU-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001333360924 850358632 /nfs/dbraw/zinc/35/86/32/850358632.db2.gz OBAIARAACYUOEU-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001333360924 850358618 /nfs/dbraw/zinc/35/86/18/850358618.db2.gz OBAIARAACYUOEU-GJZGRUSLSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001333360925 850358940 /nfs/dbraw/zinc/35/89/40/850358940.db2.gz OBAIARAACYUOEU-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001333360925 850358929 /nfs/dbraw/zinc/35/89/29/850358929.db2.gz OBAIARAACYUOEU-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001333360925 850358921 /nfs/dbraw/zinc/35/89/21/850358921.db2.gz OBAIARAACYUOEU-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001333360925 850358911 /nfs/dbraw/zinc/35/89/11/850358911.db2.gz OBAIARAACYUOEU-HUUCEWRRSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001333360926 850359133 /nfs/dbraw/zinc/35/91/33/850359133.db2.gz OBAIARAACYUOEU-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001333360926 850359119 /nfs/dbraw/zinc/35/91/19/850359119.db2.gz OBAIARAACYUOEU-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001333360926 850359105 /nfs/dbraw/zinc/35/91/05/850359105.db2.gz OBAIARAACYUOEU-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001333360926 850359070 /nfs/dbraw/zinc/35/90/70/850359070.db2.gz OBAIARAACYUOEU-LSDHHAIUSA-N 2 1 372.535 -0.233 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCCO1 ZINC001333366175 850358779 /nfs/dbraw/zinc/35/87/79/850358779.db2.gz WUWBPIQSDWHGGQ-BZUAXINKSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCCO1 ZINC001333366176 850359288 /nfs/dbraw/zinc/35/92/88/850359288.db2.gz WUWBPIQSDWHGGQ-OAGGEKHMSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCCO1 ZINC001333366177 850358818 /nfs/dbraw/zinc/35/88/18/850358818.db2.gz WUWBPIQSDWHGGQ-OWCLPIDISA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCCO1 ZINC001333366178 850359181 /nfs/dbraw/zinc/35/91/81/850359181.db2.gz WUWBPIQSDWHGGQ-PMPSAXMXSA-N 2 1 352.479 -0.044 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001333378489 850359904 /nfs/dbraw/zinc/35/99/04/850359904.db2.gz LDCMZRZMPQFKHW-KBXCAEBGSA-N 2 1 353.511 -0.428 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001333378490 850360476 /nfs/dbraw/zinc/36/04/76/850360476.db2.gz LDCMZRZMPQFKHW-KDOFPFPSSA-N 2 1 353.511 -0.428 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001333378491 850359829 /nfs/dbraw/zinc/35/98/29/850359829.db2.gz LDCMZRZMPQFKHW-KSSFIOAISA-N 2 1 353.511 -0.428 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001333378492 850360337 /nfs/dbraw/zinc/36/03/37/850360337.db2.gz LDCMZRZMPQFKHW-RDTXWAMCSA-N 2 1 353.511 -0.428 20 0 FBADMP COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nn1 ZINC001333399845 850364112 /nfs/dbraw/zinc/36/41/12/850364112.db2.gz DQMTYINPNKPWPS-CYBMUJFWSA-N 2 1 350.423 -0.478 20 0 FBADMP COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nn1 ZINC001333399845 850364108 /nfs/dbraw/zinc/36/41/08/850364108.db2.gz DQMTYINPNKPWPS-CYBMUJFWSA-N 2 1 350.423 -0.478 20 0 FBADMP COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nn1 ZINC001333399846 850364244 /nfs/dbraw/zinc/36/42/44/850364244.db2.gz DQMTYINPNKPWPS-ZDUSSCGKSA-N 2 1 350.423 -0.478 20 0 FBADMP COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nn1 ZINC001333399846 850364239 /nfs/dbraw/zinc/36/42/39/850364239.db2.gz DQMTYINPNKPWPS-ZDUSSCGKSA-N 2 1 350.423 -0.478 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001333448744 850372996 /nfs/dbraw/zinc/37/29/96/850372996.db2.gz QVXNDZRWPRJYMM-DZKIICNBSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001333448744 850372986 /nfs/dbraw/zinc/37/29/86/850372986.db2.gz QVXNDZRWPRJYMM-DZKIICNBSA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001333448745 850372563 /nfs/dbraw/zinc/37/25/63/850372563.db2.gz QVXNDZRWPRJYMM-IIAWOOMASA-N 2 1 351.495 -0.533 20 0 FBADMP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001333448745 850372552 /nfs/dbraw/zinc/37/25/52/850372552.db2.gz QVXNDZRWPRJYMM-IIAWOOMASA-N 2 1 351.495 -0.533 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC001333505946 850381704 /nfs/dbraw/zinc/38/17/04/850381704.db2.gz YIOKZDCHXZPNTQ-KRWDZBQOSA-N 2 1 374.551 -0.203 20 0 FBADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC001333505947 850381061 /nfs/dbraw/zinc/38/10/61/850381061.db2.gz YIOKZDCHXZPNTQ-QGZVFWFLSA-N 2 1 374.551 -0.203 20 0 FBADMP CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001333528147 850384765 /nfs/dbraw/zinc/38/47/65/850384765.db2.gz CZSXAGCQBBUZDW-UHFFFAOYSA-N 2 1 353.511 -0.413 20 0 FBADMP C[N@H+]1CCN(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1(C)C ZINC001333532605 850384666 /nfs/dbraw/zinc/38/46/66/850384666.db2.gz RELWZNZKPCLVRX-UHFFFAOYSA-N 2 1 351.455 -0.534 20 0 FBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333565052 850390709 /nfs/dbraw/zinc/39/07/09/850390709.db2.gz FJMQGXROECHZKJ-LLVKDONJSA-N 2 1 350.423 -0.895 20 0 FBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333565053 850390496 /nfs/dbraw/zinc/39/04/96/850390496.db2.gz FJMQGXROECHZKJ-NSHDSACASA-N 2 1 350.423 -0.895 20 0 FBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001333625666 850396826 /nfs/dbraw/zinc/39/68/26/850396826.db2.gz NDDLXWKOPNZWNA-LBPRGKRZSA-N 2 1 368.400 -0.047 20 0 FBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333627426 850398057 /nfs/dbraw/zinc/39/80/57/850398057.db2.gz YLKRFRDJWRHJOJ-HRCADAONSA-N 2 1 353.511 -0.143 20 0 FBADMP C[NH+](C)CC1(O)CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001333686831 850402167 /nfs/dbraw/zinc/40/21/67/850402167.db2.gz BIOXOMJTAOGMRQ-UHFFFAOYSA-N 2 1 353.471 -0.712 20 0 FBADMP C[NH+](C)CCCNC(=O)c1cc(=O)cc(C(=O)NCCC[NH+](C)C)[nH]1 ZINC001333758028 850409503 /nfs/dbraw/zinc/40/95/03/850409503.db2.gz CUMDCLKWGNBPJF-UHFFFAOYSA-N 2 1 351.451 -0.262 20 0 FBADMP CCC1([NH3+])CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001333960660 850430517 /nfs/dbraw/zinc/43/05/17/850430517.db2.gz RDBOKIFZGBJURO-UHFFFAOYSA-N 2 1 353.511 -0.140 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001333999123 850437524 /nfs/dbraw/zinc/43/75/24/850437524.db2.gz JZAGIINZUVWFAP-GOSISDBHSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001333999124 850437755 /nfs/dbraw/zinc/43/77/55/850437755.db2.gz JZAGIINZUVWFAP-SFHVURJKSA-N 2 1 354.495 -0.250 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCCOCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001334010727 850438935 /nfs/dbraw/zinc/43/89/35/850438935.db2.gz MBXWYNSQSLZXDB-HOTGVXAUSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCCOCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001334010728 850439174 /nfs/dbraw/zinc/43/91/74/850439174.db2.gz MBXWYNSQSLZXDB-HZPDHXFCSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCCOCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001334010729 850438889 /nfs/dbraw/zinc/43/88/89/850438889.db2.gz MBXWYNSQSLZXDB-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCCOCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001334010729 850438886 /nfs/dbraw/zinc/43/88/86/850438886.db2.gz MBXWYNSQSLZXDB-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCCOCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001334010729 850438876 /nfs/dbraw/zinc/43/88/76/850438876.db2.gz MBXWYNSQSLZXDB-IYBDPMFKSA-N 2 1 354.495 -0.081 20 0 FBADMP CNC(=O)C1(NCC(=O)NCC(C)(C)N2CCOCC2)CCOCC1 ZINC001334046297 850444921 /nfs/dbraw/zinc/44/49/21/850444921.db2.gz NRBPMIYQXZJXQI-UHFFFAOYSA-N 2 1 356.467 -0.902 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC001334178770 850456813 /nfs/dbraw/zinc/45/68/13/850456813.db2.gz HDWDNTWGVYUAFK-NEPJUHHUSA-N 2 1 365.400 -0.071 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001334178771 850457413 /nfs/dbraw/zinc/45/74/13/850457413.db2.gz HDWDNTWGVYUAFK-NWDGAFQWSA-N 2 1 365.400 -0.071 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC001334178773 850456857 /nfs/dbraw/zinc/45/68/57/850456857.db2.gz HDWDNTWGVYUAFK-RYUDHWBXSA-N 2 1 365.400 -0.071 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001334178774 850457145 /nfs/dbraw/zinc/45/71/45/850457145.db2.gz HDWDNTWGVYUAFK-VXGBXAGGSA-N 2 1 365.400 -0.071 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240554 850463235 /nfs/dbraw/zinc/46/32/35/850463235.db2.gz HUVUDXLJMKMFAW-CVEARBPZSA-N 2 1 355.483 -0.848 20 0 FBADMP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240556 850463163 /nfs/dbraw/zinc/46/31/63/850463163.db2.gz HUVUDXLJMKMFAW-HOTGVXAUSA-N 2 1 355.483 -0.848 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240557 850462773 /nfs/dbraw/zinc/46/27/73/850462773.db2.gz HUVUDXLJMKMFAW-HZPDHXFCSA-N 2 1 355.483 -0.848 20 0 FBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240559 850463189 /nfs/dbraw/zinc/46/31/89/850463189.db2.gz HUVUDXLJMKMFAW-JKSUJKDBSA-N 2 1 355.483 -0.848 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC001334240821 850463112 /nfs/dbraw/zinc/46/31/12/850463112.db2.gz JBYRUTDDRWNXRJ-ARFHVFGLSA-N 2 1 357.474 -0.136 20 0 FBADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC001334240835 850463144 /nfs/dbraw/zinc/46/31/44/850463144.db2.gz JBYRUTDDRWNXRJ-BZUAXINKSA-N 2 1 357.474 -0.136 20 0 FBADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001334469946 850492003 /nfs/dbraw/zinc/49/20/03/850492003.db2.gz KBCMSGCQAHJUOF-AWEZNQCLSA-N 2 1 350.471 -0.632 20 0 FBADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001334469946 850491995 /nfs/dbraw/zinc/49/19/95/850491995.db2.gz KBCMSGCQAHJUOF-AWEZNQCLSA-N 2 1 350.471 -0.632 20 0 FBADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001334469947 850492479 /nfs/dbraw/zinc/49/24/79/850492479.db2.gz KBCMSGCQAHJUOF-CQSZACIVSA-N 2 1 350.471 -0.632 20 0 FBADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001334469947 850492472 /nfs/dbraw/zinc/49/24/72/850492472.db2.gz KBCMSGCQAHJUOF-CQSZACIVSA-N 2 1 350.471 -0.632 20 0 FBADMP CC[C@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001334624518 850513826 /nfs/dbraw/zinc/51/38/26/850513826.db2.gz PNULXUQOXUYRHU-RBSFLKMASA-N 2 1 354.495 -0.254 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC001334746998 850529083 /nfs/dbraw/zinc/52/90/83/850529083.db2.gz LRIVMSVIYOGDJU-UHFFFAOYSA-N 2 1 353.511 -0.271 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCC1 ZINC001334747673 850528551 /nfs/dbraw/zinc/52/85/51/850528551.db2.gz RNTLAEYPHUQMET-HNNXBMFYSA-N 2 1 352.479 -0.044 20 0 FBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCC1 ZINC001334747676 850529164 /nfs/dbraw/zinc/52/91/64/850529164.db2.gz RNTLAEYPHUQMET-OAHLLOKOSA-N 2 1 352.479 -0.044 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335187000 850597476 /nfs/dbraw/zinc/59/74/76/850597476.db2.gz LEPCFXALSNBRBU-INIZCTEOSA-N 2 1 353.511 -0.282 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335187003 850597817 /nfs/dbraw/zinc/59/78/17/850597817.db2.gz LEPCFXALSNBRBU-MRXNPFEDSA-N 2 1 353.511 -0.282 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001335188332 850597715 /nfs/dbraw/zinc/59/77/15/850597715.db2.gz RIKZDUYNIIEJGC-HZPDHXFCSA-N 2 1 353.511 -0.508 20 0 FBADMP CCOC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335189420 850597917 /nfs/dbraw/zinc/59/79/17/850597917.db2.gz WCCONIUQPRAHGU-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP CCOC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335189420 850597909 /nfs/dbraw/zinc/59/79/09/850597909.db2.gz WCCONIUQPRAHGU-CWRNSKLLSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001335189426 850598351 /nfs/dbraw/zinc/59/83/51/850598351.db2.gz WGHNYKHHBUKBOV-OWCLPIDISA-N 2 1 351.495 -0.471 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335189904 850598825 /nfs/dbraw/zinc/59/88/25/850598825.db2.gz YJIJDHVYCBCORA-JKSUJKDBSA-N 2 1 351.495 -0.802 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC001335224233 850605113 /nfs/dbraw/zinc/60/51/13/850605113.db2.gz ROZJDSCHBYCQTC-HZPDHXFCSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001335226136 850605232 /nfs/dbraw/zinc/60/52/32/850605232.db2.gz XZOOTLBOPVKWNB-CVEARBPZSA-N 2 1 353.511 -0.508 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335234959 850606316 /nfs/dbraw/zinc/60/63/16/850606316.db2.gz RQIIPQDIDUNTNE-CAOSSQGBSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335234960 850606638 /nfs/dbraw/zinc/60/66/38/850606638.db2.gz RQIIPQDIDUNTNE-JONQDZQNSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335234961 850606128 /nfs/dbraw/zinc/60/61/28/850606128.db2.gz RQIIPQDIDUNTNE-VGWMRTNUSA-N 2 1 352.479 -0.322 20 0 FBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335234962 850606394 /nfs/dbraw/zinc/60/63/94/850606394.db2.gz RQIIPQDIDUNTNE-YHUYYLMFSA-N 2 1 352.479 -0.322 20 0 FBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001335264804 850611803 /nfs/dbraw/zinc/61/18/03/850611803.db2.gz VQIXOHGPMYDEKR-HZPDHXFCSA-N 2 1 353.511 -0.556 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)CC2)CC1 ZINC001335329828 850621347 /nfs/dbraw/zinc/62/13/47/850621347.db2.gz PKZOWAFXHQLNFY-CVEARBPZSA-N 2 1 352.479 -0.370 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335351530 850625726 /nfs/dbraw/zinc/62/57/26/850625726.db2.gz QFSQUIZRECJJGC-AWEZNQCLSA-N 2 1 356.467 -0.061 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335351531 850625641 /nfs/dbraw/zinc/62/56/41/850625641.db2.gz QFSQUIZRECJJGC-CQSZACIVSA-N 2 1 356.467 -0.061 20 0 FBADMP CCNS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335428095 850632888 /nfs/dbraw/zinc/63/28/88/850632888.db2.gz BSZOXXCUUAAJFB-GASCZTMLSA-N 2 1 373.523 -0.464 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001335433835 850634046 /nfs/dbraw/zinc/63/40/46/850634046.db2.gz YQNSYJNVYHNESS-CFAJVAMVSA-N 2 1 353.467 -0.846 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001335433836 850633815 /nfs/dbraw/zinc/63/38/15/850633815.db2.gz YQNSYJNVYHNESS-LOUJCGABSA-N 2 1 353.467 -0.846 20 0 FBADMP CN1CC[NH+](CCCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC001335471698 850636584 /nfs/dbraw/zinc/63/65/84/850636584.db2.gz PWIMOEISUKABPL-UHFFFAOYSA-N 2 1 354.543 -0.097 20 0 FBADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335482287 850637565 /nfs/dbraw/zinc/63/75/65/850637565.db2.gz OQKBKYRBIQKCOQ-INIZCTEOSA-N 2 1 356.492 -0.391 20 0 FBADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335482287 850637562 /nfs/dbraw/zinc/63/75/62/850637562.db2.gz OQKBKYRBIQKCOQ-INIZCTEOSA-N 2 1 356.492 -0.391 20 0 FBADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335482290 850637493 /nfs/dbraw/zinc/63/74/93/850637493.db2.gz OQKBKYRBIQKCOQ-MRXNPFEDSA-N 2 1 356.492 -0.391 20 0 FBADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335482290 850637489 /nfs/dbraw/zinc/63/74/89/850637489.db2.gz OQKBKYRBIQKCOQ-MRXNPFEDSA-N 2 1 356.492 -0.391 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001335515923 850639940 /nfs/dbraw/zinc/63/99/40/850639940.db2.gz XJZXRAYTCIMHNH-VBQJREDUSA-N 2 1 356.467 -0.123 20 0 FBADMP CN1CCOC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335617002 850656112 /nfs/dbraw/zinc/65/61/12/850656112.db2.gz DGXIXWYHGFRHGL-BBWFWOEESA-N 2 1 351.495 -0.073 20 0 FBADMP CN1CCOC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335617004 850656601 /nfs/dbraw/zinc/65/66/01/850656601.db2.gz DGXIXWYHGFRHGL-IXDOHACOSA-N 2 1 351.495 -0.073 20 0 FBADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001335622606 850657623 /nfs/dbraw/zinc/65/76/23/850657623.db2.gz OFOAGPWUMDAXRE-MWDXBVQZSA-N 2 1 351.495 -0.025 20 0 FBADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001335622607 850657473 /nfs/dbraw/zinc/65/74/73/850657473.db2.gz OFOAGPWUMDAXRE-YLFCFFPRSA-N 2 1 351.495 -0.025 20 0 FBADMP O=C(NCCCCC[NH+]1CCNCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001335645209 850662066 /nfs/dbraw/zinc/66/20/66/850662066.db2.gz JJQBSCJKUMCPFC-KRWDZBQOSA-N 2 1 352.527 -0.249 20 0 FBADMP O=C(NCCCCC[NH+]1CCNCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001335645231 850661650 /nfs/dbraw/zinc/66/16/50/850661650.db2.gz JJQBSCJKUMCPFC-QGZVFWFLSA-N 2 1 352.527 -0.249 20 0 FBADMP O=C(NC[C@H]1CCCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001335697038 850667319 /nfs/dbraw/zinc/66/73/19/850667319.db2.gz SKDVAAUHEWIUOI-CYBMUJFWSA-N 2 1 359.496 -0.853 20 0 FBADMP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001335697039 850667643 /nfs/dbraw/zinc/66/76/43/850667643.db2.gz SKDVAAUHEWIUOI-ZDUSSCGKSA-N 2 1 359.496 -0.853 20 0 FBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335753493 850675373 /nfs/dbraw/zinc/67/53/73/850675373.db2.gz OFZURHGVRQDZMN-INIZCTEOSA-N 2 1 352.479 -0.369 20 0 FBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335753494 850675477 /nfs/dbraw/zinc/67/54/77/850675477.db2.gz OFZURHGVRQDZMN-MRXNPFEDSA-N 2 1 352.479 -0.369 20 0 FBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335820966 850681900 /nfs/dbraw/zinc/68/19/00/850681900.db2.gz RRRPWQULGLFERY-INIZCTEOSA-N 2 1 352.479 -0.544 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335820967 850682071 /nfs/dbraw/zinc/68/20/71/850682071.db2.gz RRRPWQULGLFERY-MRXNPFEDSA-N 2 1 352.479 -0.544 20 0 FBADMP O=C(CNC(=O)C[NH+]1CCC(CO)CC1)NCC[NH+]1CCCCCC1 ZINC001335970718 850695813 /nfs/dbraw/zinc/69/58/13/850695813.db2.gz MHTMGALGHAMDHR-UHFFFAOYSA-N 2 1 354.495 -0.201 20 0 FBADMP C[NH+]1CCC(O)(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC001335985176 850698257 /nfs/dbraw/zinc/69/82/57/850698257.db2.gz ADMCQQGQVZCCJD-UHFFFAOYSA-N 2 1 350.481 -0.211 20 0 FBADMP CN1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CC1 ZINC001336019314 850700478 /nfs/dbraw/zinc/70/04/78/850700478.db2.gz OTKRQFBORHQHHC-CEXWTWQISA-N 2 1 353.555 -0.257 20 0 FBADMP CN1CCN(C[C@@H](O)C[NH2+][C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CC1 ZINC001336019317 850700355 /nfs/dbraw/zinc/70/03/55/850700355.db2.gz OTKRQFBORHQHHC-OTWHNJEPSA-N 2 1 353.555 -0.257 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336037737 850702257 /nfs/dbraw/zinc/70/22/57/850702257.db2.gz XXLUOBYFBUXOJT-BBWFWOEESA-N 2 1 351.495 -0.356 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336037738 850702460 /nfs/dbraw/zinc/70/24/60/850702460.db2.gz XXLUOBYFBUXOJT-GVDBMIGSSA-N 2 1 351.495 -0.356 20 0 FBADMP CNS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336081387 850704427 /nfs/dbraw/zinc/70/44/27/850704427.db2.gz FALAAYHNYNUPPT-OKILXGFUSA-N 2 1 359.496 -0.854 20 0 FBADMP O=S1(=O)CCN(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001336094494 850706016 /nfs/dbraw/zinc/70/60/16/850706016.db2.gz KCOQQZMIUPXWEM-DLBZAZTESA-N 2 1 357.520 -0.050 20 0 FBADMP O=S1(=O)CCN(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001336094495 850706084 /nfs/dbraw/zinc/70/60/84/850706084.db2.gz KCOQQZMIUPXWEM-IAGOWNOFSA-N 2 1 357.520 -0.050 20 0 FBADMP O=S1(=O)CCN(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001336094496 850705891 /nfs/dbraw/zinc/70/58/91/850705891.db2.gz KCOQQZMIUPXWEM-IRXDYDNUSA-N 2 1 357.520 -0.050 20 0 FBADMP O=S1(=O)CCN(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001336094497 850706104 /nfs/dbraw/zinc/70/61/04/850706104.db2.gz KCOQQZMIUPXWEM-SJORKVTESA-N 2 1 357.520 -0.050 20 0 FBADMP O=C(NCCCCC[NH+]1CCNCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001336193991 850717409 /nfs/dbraw/zinc/71/74/09/850717409.db2.gz RZKUOVJUBTWJGL-KRWDZBQOSA-N 2 1 352.527 -0.249 20 0 FBADMP O=C(NCCCCC[NH+]1CCNCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336193992 850717455 /nfs/dbraw/zinc/71/74/55/850717455.db2.gz RZKUOVJUBTWJGL-QGZVFWFLSA-N 2 1 352.527 -0.249 20 0 FBADMP [NH3+]C1CC2(C1)CC(NC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001336225945 850720239 /nfs/dbraw/zinc/72/02/39/850720239.db2.gz UCABQQRRAXGLIQ-CKXUZFMQSA-N 2 1 351.495 -0.038 20 0 FBADMP [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001336225946 850720599 /nfs/dbraw/zinc/72/05/99/850720599.db2.gz UCABQQRRAXGLIQ-ZWIHVQRSSA-N 2 1 351.495 -0.038 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001336228756 850721541 /nfs/dbraw/zinc/72/15/41/850721541.db2.gz IBTHYOQBLACBPL-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001336228758 850721792 /nfs/dbraw/zinc/72/17/92/850721792.db2.gz IBTHYOQBLACBPL-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001336228760 850721880 /nfs/dbraw/zinc/72/18/80/850721880.db2.gz IBTHYOQBLACBPL-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001336228762 850721707 /nfs/dbraw/zinc/72/17/07/850721707.db2.gz IBTHYOQBLACBPL-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP O=C1N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001336276172 850726054 /nfs/dbraw/zinc/72/60/54/850726054.db2.gz CJLYUXKZSMHPHK-CABCVRRESA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001336276172 850726050 /nfs/dbraw/zinc/72/60/50/850726050.db2.gz CJLYUXKZSMHPHK-CABCVRRESA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001336276173 850726124 /nfs/dbraw/zinc/72/61/24/850726124.db2.gz CJLYUXKZSMHPHK-GJZGRUSLSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@H]2C[N@H+](CCN3CCCS3(=O)=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001336276173 850726117 /nfs/dbraw/zinc/72/61/17/850726117.db2.gz CJLYUXKZSMHPHK-GJZGRUSLSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001336276174 850725541 /nfs/dbraw/zinc/72/55/41/850725541.db2.gz CJLYUXKZSMHPHK-HUUCEWRRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001336276174 850725535 /nfs/dbraw/zinc/72/55/35/850725535.db2.gz CJLYUXKZSMHPHK-HUUCEWRRSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001336276175 850725930 /nfs/dbraw/zinc/72/59/30/850725930.db2.gz CJLYUXKZSMHPHK-LSDHHAIUSA-N 2 1 371.507 -0.758 20 0 FBADMP O=C1N[C@H]2C[N@H+](CCN3CCCS3(=O)=O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001336276175 850725922 /nfs/dbraw/zinc/72/59/22/850725922.db2.gz CJLYUXKZSMHPHK-LSDHHAIUSA-N 2 1 371.507 -0.758 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336276505 850725613 /nfs/dbraw/zinc/72/56/13/850725613.db2.gz JZQVKJRLOJEHPD-ARFHVFGLSA-N 2 1 354.495 -0.131 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336276506 850725705 /nfs/dbraw/zinc/72/57/05/850725705.db2.gz JZQVKJRLOJEHPD-HRCADAONSA-N 2 1 354.495 -0.131 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336276507 850725521 /nfs/dbraw/zinc/72/55/21/850725521.db2.gz JZQVKJRLOJEHPD-JYJNAYRXSA-N 2 1 354.495 -0.131 20 0 FBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336276508 850725906 /nfs/dbraw/zinc/72/59/06/850725906.db2.gz JZQVKJRLOJEHPD-XHSDSOJGSA-N 2 1 354.495 -0.131 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CCC34CCOCC4)C[C@@H]21 ZINC001336295858 850728002 /nfs/dbraw/zinc/72/80/02/850728002.db2.gz QTQMZQUJUOBCGI-CABCVRRESA-N 2 1 350.463 -0.480 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336573411 850765282 /nfs/dbraw/zinc/76/52/82/850765282.db2.gz OTBPFWAQBYTRDJ-HZPDHXFCSA-N 2 1 353.511 -0.427 20 0 FBADMP C[C@@H]1COCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC001336578645 850765126 /nfs/dbraw/zinc/76/51/26/850765126.db2.gz DFBAMQZKNFCWPH-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@@H]1COCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC001336578645 850765119 /nfs/dbraw/zinc/76/51/19/850765119.db2.gz DFBAMQZKNFCWPH-HNNXBMFYSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@H]1COCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC001336578646 850765365 /nfs/dbraw/zinc/76/53/65/850765365.db2.gz DFBAMQZKNFCWPH-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP C[C@H]1COCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC001336578646 850765355 /nfs/dbraw/zinc/76/53/55/850765355.db2.gz DFBAMQZKNFCWPH-OAHLLOKOSA-N 2 1 354.495 -0.034 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)C[C@@H]21 ZINC001336605516 850770622 /nfs/dbraw/zinc/77/06/22/850770622.db2.gz SDQZCIXLSCFFCL-FPCVCCKLSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)C[C@@H]21 ZINC001336605516 850770608 /nfs/dbraw/zinc/77/06/08/850770608.db2.gz SDQZCIXLSCFFCL-FPCVCCKLSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605516 850770600 /nfs/dbraw/zinc/77/06/00/850770600.db2.gz SDQZCIXLSCFFCL-FPCVCCKLSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)C[C@@H]21 ZINC001336605519 850770001 /nfs/dbraw/zinc/77/00/01/850770001.db2.gz SDQZCIXLSCFFCL-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)C[C@@H]21 ZINC001336605519 850769995 /nfs/dbraw/zinc/76/99/95/850769995.db2.gz SDQZCIXLSCFFCL-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605519 850769984 /nfs/dbraw/zinc/76/99/84/850769984.db2.gz SDQZCIXLSCFFCL-QXSJWSMHSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)C[C@@H]21 ZINC001336605521 850770779 /nfs/dbraw/zinc/77/07/79/850770779.db2.gz SDQZCIXLSCFFCL-UGUYLWEFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)C[C@@H]21 ZINC001336605521 850770771 /nfs/dbraw/zinc/77/07/71/850770771.db2.gz SDQZCIXLSCFFCL-UGUYLWEFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605521 850770764 /nfs/dbraw/zinc/77/07/64/850770764.db2.gz SDQZCIXLSCFFCL-UGUYLWEFSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)C[C@@H]21 ZINC001336605523 850770280 /nfs/dbraw/zinc/77/02/80/850770280.db2.gz SDQZCIXLSCFFCL-WCVJEAGWSA-N 2 1 350.463 -0.794 20 0 FBADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)C[C@@H]21 ZINC001336605523 850770271 /nfs/dbraw/zinc/77/02/71/850770271.db2.gz SDQZCIXLSCFFCL-WCVJEAGWSA-N 2 1 350.463 -0.794 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605523 850770269 /nfs/dbraw/zinc/77/02/69/850770269.db2.gz SDQZCIXLSCFFCL-WCVJEAGWSA-N 2 1 350.463 -0.794 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001336613656 850771820 /nfs/dbraw/zinc/77/18/20/850771820.db2.gz MHJNQODGLXYNFJ-DZGCQCFKSA-N 2 1 351.451 -0.219 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001336613658 850771360 /nfs/dbraw/zinc/77/13/60/850771360.db2.gz MHJNQODGLXYNFJ-HIFRSBDPSA-N 2 1 351.451 -0.219 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001336613660 850771414 /nfs/dbraw/zinc/77/14/14/850771414.db2.gz MHJNQODGLXYNFJ-UKRRQHHQSA-N 2 1 351.451 -0.219 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001336613662 850772011 /nfs/dbraw/zinc/77/20/11/850772011.db2.gz MHJNQODGLXYNFJ-ZFWWWQNUSA-N 2 1 351.451 -0.219 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[N@H+]1C ZINC001336630445 850774488 /nfs/dbraw/zinc/77/44/88/850774488.db2.gz GSEKRFOYHUFHPL-ILXRZTDVSA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[N@H+]1C ZINC001336630446 850774505 /nfs/dbraw/zinc/77/45/05/850774505.db2.gz GSEKRFOYHUFHPL-KFWWJZLASA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@H+]1C ZINC001336630447 850774567 /nfs/dbraw/zinc/77/45/67/850774567.db2.gz GSEKRFOYHUFHPL-QLFBSQMISA-N 2 1 352.479 -0.058 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@H+]1C ZINC001336630448 850774721 /nfs/dbraw/zinc/77/47/21/850774721.db2.gz GSEKRFOYHUFHPL-RBSFLKMASA-N 2 1 352.479 -0.058 20 0 FBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001336633865 850774358 /nfs/dbraw/zinc/77/43/58/850774358.db2.gz MBXHRJGKLCRAQR-UHFFFAOYSA-N 2 1 351.495 -0.389 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001336670736 850777530 /nfs/dbraw/zinc/77/75/30/850777530.db2.gz GWGDACUXAKRPSF-INIZCTEOSA-N 2 1 353.511 -0.412 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001336670737 850777832 /nfs/dbraw/zinc/77/78/32/850777832.db2.gz GWGDACUXAKRPSF-MRXNPFEDSA-N 2 1 353.511 -0.412 20 0 FBADMP CS(=O)(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336723111 850781307 /nfs/dbraw/zinc/78/13/07/850781307.db2.gz SIZSVKUWWFRQJC-OKILXGFUSA-N 2 1 359.496 -0.854 20 0 FBADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001336770033 850783635 /nfs/dbraw/zinc/78/36/35/850783635.db2.gz HCOPOJIKFPICPB-UHFFFAOYSA-N 2 1 352.479 -0.232 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810206 850785722 /nfs/dbraw/zinc/78/57/22/850785722.db2.gz FSAPIIGTOAURTO-KBPBESRZSA-N 2 1 353.467 -0.783 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810207 850785672 /nfs/dbraw/zinc/78/56/72/850785672.db2.gz FSAPIIGTOAURTO-KGLIPLIRSA-N 2 1 353.467 -0.783 20 0 FBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810208 850785870 /nfs/dbraw/zinc/78/58/70/850785870.db2.gz FSAPIIGTOAURTO-UONOGXRCSA-N 2 1 353.467 -0.783 20 0 FBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810209 850785635 /nfs/dbraw/zinc/78/56/35/850785635.db2.gz FSAPIIGTOAURTO-ZIAGYGMSSA-N 2 1 353.467 -0.783 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCC[N@H+]1CCCOCC1)C2 ZINC001336875911 850787437 /nfs/dbraw/zinc/78/74/37/850787437.db2.gz CDDAELWABHHXBS-VBQJREDUSA-N 2 1 354.451 -0.369 20 0 FBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC001336940777 850792144 /nfs/dbraw/zinc/79/21/44/850792144.db2.gz HDGIPDLTNZPCIV-KRWDZBQOSA-N 3 1 352.527 -0.169 20 0 FBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC001336940778 850792008 /nfs/dbraw/zinc/79/20/08/850792008.db2.gz HDGIPDLTNZPCIV-QGZVFWFLSA-N 3 1 352.527 -0.169 20 0 FBADMP CCO[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC001336943244 850792225 /nfs/dbraw/zinc/79/22/25/850792225.db2.gz VKENISHLAHTPRW-CABCVRRESA-N 2 1 355.483 -0.441 20 0 FBADMP CCO[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC001336943245 850792050 /nfs/dbraw/zinc/79/20/50/850792050.db2.gz VKENISHLAHTPRW-GJZGRUSLSA-N 2 1 355.483 -0.441 20 0 FBADMP CCO[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC001336943246 850792095 /nfs/dbraw/zinc/79/20/95/850792095.db2.gz VKENISHLAHTPRW-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP CCO[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC001336943247 850792213 /nfs/dbraw/zinc/79/22/13/850792213.db2.gz VKENISHLAHTPRW-LSDHHAIUSA-N 2 1 355.483 -0.441 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC001336944349 850792057 /nfs/dbraw/zinc/79/20/57/850792057.db2.gz YBYNEZYHECONQP-HNNXBMFYSA-N 2 1 352.483 -0.985 20 0 FBADMP [NH3+]C1CCN(CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC001336944350 850791926 /nfs/dbraw/zinc/79/19/26/850791926.db2.gz YBYNEZYHECONQP-OAHLLOKOSA-N 2 1 352.483 -0.985 20 0 FBADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336951123 850792255 /nfs/dbraw/zinc/79/22/55/850792255.db2.gz OFOAGPWUMDAXRE-LTIDMASMSA-N 2 1 351.495 -0.025 20 0 FBADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336951124 850793055 /nfs/dbraw/zinc/79/30/55/850793055.db2.gz OFOAGPWUMDAXRE-WCXIOVBPSA-N 2 1 351.495 -0.025 20 0 FBADMP CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001336977540 850793936 /nfs/dbraw/zinc/79/39/36/850793936.db2.gz YCKHVQNIYQHVMA-HNNXBMFYSA-N 2 1 356.467 -0.963 20 0 FBADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001336981273 850793914 /nfs/dbraw/zinc/79/39/14/850793914.db2.gz NDVUGSJLIIRIDO-AWEZNQCLSA-N 2 1 354.451 -0.355 20 0 FBADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001336981274 850793756 /nfs/dbraw/zinc/79/37/56/850793756.db2.gz NDVUGSJLIIRIDO-CQSZACIVSA-N 2 1 354.451 -0.355 20 0 FBADMP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337077681 850797845 /nfs/dbraw/zinc/79/78/45/850797845.db2.gz JKXSTODVUZCXOW-DLBZAZTESA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337077682 850797446 /nfs/dbraw/zinc/79/74/46/850797446.db2.gz JKXSTODVUZCXOW-IAGOWNOFSA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337077683 850797106 /nfs/dbraw/zinc/79/71/06/850797106.db2.gz JKXSTODVUZCXOW-IRXDYDNUSA-N 2 1 354.495 -0.332 20 0 FBADMP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337077684 850797123 /nfs/dbraw/zinc/79/71/23/850797123.db2.gz JKXSTODVUZCXOW-SJORKVTESA-N 2 1 354.495 -0.332 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC001337399142 850811270 /nfs/dbraw/zinc/81/12/70/850811270.db2.gz BJQYJCVBXKJQID-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC001337399142 850811259 /nfs/dbraw/zinc/81/12/59/850811259.db2.gz BJQYJCVBXKJQID-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC001337399142 850811251 /nfs/dbraw/zinc/81/12/51/850811251.db2.gz BJQYJCVBXKJQID-FZKCQIBNSA-N 2 1 352.479 -0.045 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456420 850814657 /nfs/dbraw/zinc/81/46/57/850814657.db2.gz VKRWVXABTPRPAZ-BZUAXINKSA-N 2 1 353.511 -0.238 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456422 850815210 /nfs/dbraw/zinc/81/52/10/850815210.db2.gz VKRWVXABTPRPAZ-OAGGEKHMSA-N 2 1 353.511 -0.238 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456424 850814751 /nfs/dbraw/zinc/81/47/51/850814751.db2.gz VKRWVXABTPRPAZ-OWCLPIDISA-N 2 1 353.511 -0.238 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456426 850814774 /nfs/dbraw/zinc/81/47/74/850814774.db2.gz VKRWVXABTPRPAZ-PMPSAXMXSA-N 2 1 353.511 -0.238 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC001337533655 850820417 /nfs/dbraw/zinc/82/04/17/850820417.db2.gz XUMZDUJEWAJVDN-OXGONZEZSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC001337533656 850819897 /nfs/dbraw/zinc/81/98/97/850819897.db2.gz XUMZDUJEWAJVDN-QCODTGAPSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001337533657 850819945 /nfs/dbraw/zinc/81/99/45/850819945.db2.gz XUMZDUJEWAJVDN-QRJUGERDSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001337533657 850819940 /nfs/dbraw/zinc/81/99/40/850819940.db2.gz XUMZDUJEWAJVDN-QRJUGERDSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001337533659 850820255 /nfs/dbraw/zinc/82/02/55/850820255.db2.gz XUMZDUJEWAJVDN-YIDVYQOGSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001337533659 850820246 /nfs/dbraw/zinc/82/02/46/850820246.db2.gz XUMZDUJEWAJVDN-YIDVYQOGSA-N 2 1 352.479 -0.060 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001337749481 850835038 /nfs/dbraw/zinc/83/50/38/850835038.db2.gz DNHDFGTYZYZRSC-QLFBSQMISA-N 2 1 352.479 -0.594 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001337749482 850835085 /nfs/dbraw/zinc/83/50/85/850835085.db2.gz DNHDFGTYZYZRSC-SOUVJXGZSA-N 2 1 352.479 -0.594 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001338011292 850853047 /nfs/dbraw/zinc/85/30/47/850853047.db2.gz MBENYXKKMFJGRM-PQUAAJSLSA-N 2 1 351.495 -0.084 20 0 FBADMP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001338011293 850852420 /nfs/dbraw/zinc/85/24/20/850852420.db2.gz MBENYXKKMFJGRM-UPTPFMHGSA-N 2 1 351.495 -0.084 20 0 FBADMP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)C ZINC001338262635 850869060 /nfs/dbraw/zinc/86/90/60/850869060.db2.gz LKSFUVKITQXLRK-UHFFFAOYSA-N 2 1 355.483 -0.888 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001338280512 850870061 /nfs/dbraw/zinc/87/00/61/850870061.db2.gz YIPIIYKQFVELFN-GOSISDBHSA-N 2 1 351.495 -0.515 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001338280513 850870467 /nfs/dbraw/zinc/87/04/67/850870467.db2.gz YIPIIYKQFVELFN-SFHVURJKSA-N 2 1 351.495 -0.515 20 0 FBADMP COCC(C)(C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)CC1 ZINC001338286464 850870014 /nfs/dbraw/zinc/87/00/14/850870014.db2.gz AOBAXDPBMJVRJA-GFCCVEGCSA-N 2 1 352.439 -0.153 20 0 FBADMP COCC(C)(C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)CC1 ZINC001338286466 850870389 /nfs/dbraw/zinc/87/03/89/850870389.db2.gz AOBAXDPBMJVRJA-LBPRGKRZSA-N 2 1 352.439 -0.153 20 0 FBADMP O=C(NCCOCCF)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338308981 850872581 /nfs/dbraw/zinc/87/25/81/850872581.db2.gz LLGLMWLNVKJMRW-GASCZTMLSA-N 2 1 356.442 -0.484 20 0 FBADMP O=C(NCCOCCF)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338308981 850872579 /nfs/dbraw/zinc/87/25/79/850872579.db2.gz LLGLMWLNVKJMRW-GASCZTMLSA-N 2 1 356.442 -0.484 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309212 850872050 /nfs/dbraw/zinc/87/20/50/850872050.db2.gz OCEDFKJKZPIQOL-CLWVCHIJSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309212 850872042 /nfs/dbraw/zinc/87/20/42/850872042.db2.gz OCEDFKJKZPIQOL-CLWVCHIJSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309214 850872682 /nfs/dbraw/zinc/87/26/82/850872682.db2.gz OCEDFKJKZPIQOL-DARAHFNDSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309214 850872678 /nfs/dbraw/zinc/87/26/78/850872678.db2.gz OCEDFKJKZPIQOL-DARAHFNDSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309215 850872215 /nfs/dbraw/zinc/87/22/15/850872215.db2.gz OCEDFKJKZPIQOL-LQKXBSAESA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309215 850872207 /nfs/dbraw/zinc/87/22/07/850872207.db2.gz OCEDFKJKZPIQOL-LQKXBSAESA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309216 850872541 /nfs/dbraw/zinc/87/25/41/850872541.db2.gz OCEDFKJKZPIQOL-XOUADPBQSA-N 2 1 350.463 -0.293 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CO1 ZINC001338309216 850872535 /nfs/dbraw/zinc/87/25/35/850872535.db2.gz OCEDFKJKZPIQOL-XOUADPBQSA-N 2 1 350.463 -0.293 20 0 FBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001338336976 850874472 /nfs/dbraw/zinc/87/44/72/850874472.db2.gz HALYGXODYAEAEP-UHFFFAOYSA-N 2 1 353.511 -0.268 20 0 FBADMP COCC[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001338426079 850879464 /nfs/dbraw/zinc/87/94/64/850879464.db2.gz GNIAPJYOSIBFKN-UHFFFAOYSA-N 2 1 352.483 -0.245 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338517202 850886551 /nfs/dbraw/zinc/88/65/51/850886551.db2.gz COJUWCBAAARQAO-UHFFFAOYSA-N 2 1 354.499 -0.739 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338549446 850888345 /nfs/dbraw/zinc/88/83/45/850888345.db2.gz IYHUMLFCOIINNK-AWEZNQCLSA-N 2 1 356.467 -0.061 20 0 FBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338549448 850888549 /nfs/dbraw/zinc/88/85/49/850888549.db2.gz IYHUMLFCOIINNK-CQSZACIVSA-N 2 1 356.467 -0.061 20 0 FBADMP CN(C)S(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338610007 850892048 /nfs/dbraw/zinc/89/20/48/850892048.db2.gz LKCBSYBNDUDVEC-GASCZTMLSA-N 2 1 373.523 -0.512 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338667960 850897183 /nfs/dbraw/zinc/89/71/83/850897183.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 2 1 356.511 -0.054 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338667960 850897176 /nfs/dbraw/zinc/89/71/76/850897176.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 2 1 356.511 -0.054 20 0 FBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338667960 850897171 /nfs/dbraw/zinc/89/71/71/850897171.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 2 1 356.511 -0.054 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338667963 850897515 /nfs/dbraw/zinc/89/75/15/850897515.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338667963 850897505 /nfs/dbraw/zinc/89/75/05/850897505.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338667963 850897494 /nfs/dbraw/zinc/89/74/94/850897494.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 2 1 356.511 -0.054 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001338982929 850913337 /nfs/dbraw/zinc/91/33/37/850913337.db2.gz GKLZUISXXWSATP-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001338982929 850913316 /nfs/dbraw/zinc/91/33/16/850913316.db2.gz GKLZUISXXWSATP-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001338982929 850913307 /nfs/dbraw/zinc/91/33/07/850913307.db2.gz GKLZUISXXWSATP-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001338982931 850913151 /nfs/dbraw/zinc/91/31/51/850913151.db2.gz GKLZUISXXWSATP-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001338982931 850913139 /nfs/dbraw/zinc/91/31/39/850913139.db2.gz GKLZUISXXWSATP-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001338982931 850913123 /nfs/dbraw/zinc/91/31/23/850913123.db2.gz GKLZUISXXWSATP-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C1CC(O)C1 ZINC001339208146 850924606 /nfs/dbraw/zinc/92/46/06/850924606.db2.gz XCEIAWHOONTNNO-PJPHBNEVSA-N 2 1 350.463 -0.605 20 0 FBADMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C1CC(O)C1 ZINC001339208146 850924598 /nfs/dbraw/zinc/92/45/98/850924598.db2.gz XCEIAWHOONTNNO-PJPHBNEVSA-N 2 1 350.463 -0.605 20 0 FBADMP O=C(NCCCO)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001339222356 850924767 /nfs/dbraw/zinc/92/47/67/850924767.db2.gz AJNXXDWZMYHRDE-HNNXBMFYSA-N 2 1 350.467 -0.087 20 0 FBADMP O=C(NCCCO)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001339222357 850924530 /nfs/dbraw/zinc/92/45/30/850924530.db2.gz AJNXXDWZMYHRDE-OAHLLOKOSA-N 2 1 350.467 -0.087 20 0 FBADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001339425402 850932202 /nfs/dbraw/zinc/93/22/02/850932202.db2.gz COGJGVXRPVYUSM-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001339425402 850932193 /nfs/dbraw/zinc/93/21/93/850932193.db2.gz COGJGVXRPVYUSM-HNNXBMFYSA-N 2 1 352.479 -0.280 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001339425403 850932308 /nfs/dbraw/zinc/93/23/08/850932308.db2.gz COGJGVXRPVYUSM-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001339425403 850932300 /nfs/dbraw/zinc/93/23/00/850932300.db2.gz COGJGVXRPVYUSM-OAHLLOKOSA-N 2 1 352.479 -0.280 20 0 FBADMP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001339782027 850946808 /nfs/dbraw/zinc/94/68/08/850946808.db2.gz ATBHSWSLTDMHSO-CYBMUJFWSA-N 2 1 350.423 -0.399 20 0 FBADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001339782029 850946388 /nfs/dbraw/zinc/94/63/88/850946388.db2.gz ATBHSWSLTDMHSO-ZDUSSCGKSA-N 2 1 350.423 -0.399 20 0 FBADMP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001339787686 850947105 /nfs/dbraw/zinc/94/71/05/850947105.db2.gz KHTOOMFAFMEDSL-HNNXBMFYSA-N 2 1 350.467 -0.492 20 0 FBADMP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001339787686 850947100 /nfs/dbraw/zinc/94/71/00/850947100.db2.gz KHTOOMFAFMEDSL-HNNXBMFYSA-N 2 1 350.467 -0.492 20 0 FBADMP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001339787687 850946942 /nfs/dbraw/zinc/94/69/42/850946942.db2.gz KHTOOMFAFMEDSL-OAHLLOKOSA-N 2 1 350.467 -0.492 20 0 FBADMP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001339787687 850946933 /nfs/dbraw/zinc/94/69/33/850946933.db2.gz KHTOOMFAFMEDSL-OAHLLOKOSA-N 2 1 350.467 -0.492 20 0 FBADMP NC(=O)CSc1ccccc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001339933032 850953977 /nfs/dbraw/zinc/95/39/77/850953977.db2.gz MFSDRYZBVAOJOY-UHFFFAOYSA-N 2 1 351.476 -0.303 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)CCSC1 ZINC001340041193 850961464 /nfs/dbraw/zinc/96/14/64/850961464.db2.gz GYPDRAKYJALAGZ-BHPKHCPMSA-N 2 1 361.533 -0.437 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)CCSC1 ZINC001340041194 850961786 /nfs/dbraw/zinc/96/17/86/850961786.db2.gz GYPDRAKYJALAGZ-COMQUAJESA-N 2 1 361.533 -0.437 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)CCSC1 ZINC001340041195 850961342 /nfs/dbraw/zinc/96/13/42/850961342.db2.gz GYPDRAKYJALAGZ-CXTNEJHOSA-N 2 1 361.533 -0.437 20 0 FBADMP C[NH+](C)[C@]1(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)CCSC1 ZINC001340041196 850961092 /nfs/dbraw/zinc/96/10/92/850961092.db2.gz GYPDRAKYJALAGZ-OSFYFWSMSA-N 2 1 361.533 -0.437 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001340077230 850964230 /nfs/dbraw/zinc/96/42/30/850964230.db2.gz FGZOHORPMYONJD-CVEARBPZSA-N 2 1 353.511 -0.474 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001340077231 850964277 /nfs/dbraw/zinc/96/42/77/850964277.db2.gz FGZOHORPMYONJD-HOTGVXAUSA-N 2 1 353.511 -0.474 20 0 FBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001340077232 850964123 /nfs/dbraw/zinc/96/41/23/850964123.db2.gz FGZOHORPMYONJD-HZPDHXFCSA-N 2 1 353.511 -0.474 20 0 FBADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001340077233 850964191 /nfs/dbraw/zinc/96/41/91/850964191.db2.gz FGZOHORPMYONJD-JKSUJKDBSA-N 2 1 353.511 -0.474 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001340091366 850965587 /nfs/dbraw/zinc/96/55/87/850965587.db2.gz SLFVBGLHLYPLQB-KRWDZBQOSA-N 2 1 351.451 -0.446 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001340091368 850965338 /nfs/dbraw/zinc/96/53/38/850965338.db2.gz SLFVBGLHLYPLQB-QGZVFWFLSA-N 2 1 351.451 -0.446 20 0 FBADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340104510 850966470 /nfs/dbraw/zinc/96/64/70/850966470.db2.gz HXZMWEMFTHQYHP-YOEHRIQHSA-N 2 1 373.519 -0.374 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001340155651 850969057 /nfs/dbraw/zinc/96/90/57/850969057.db2.gz SQAVWBICDDWCFL-LXZKKBNFSA-N 2 1 371.503 -0.620 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001340155653 850969555 /nfs/dbraw/zinc/96/95/55/850969555.db2.gz SQAVWBICDDWCFL-QRTARXTBSA-N 2 1 371.503 -0.620 20 0 FBADMP O=C(Nc1cnns1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340163181 850970636 /nfs/dbraw/zinc/97/06/36/850970636.db2.gz NATPPADPNYANHY-TXEJJXNPSA-N 2 1 350.448 -0.096 20 0 FBADMP O=C(Nc1cnns1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340163181 850970632 /nfs/dbraw/zinc/97/06/32/850970632.db2.gz NATPPADPNYANHY-TXEJJXNPSA-N 2 1 350.448 -0.096 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)C1 ZINC001340236685 850974321 /nfs/dbraw/zinc/97/43/21/850974321.db2.gz WLNOFZGFXRPOKZ-IBEHDNSVSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)C1 ZINC001340236686 850974396 /nfs/dbraw/zinc/97/43/96/850974396.db2.gz WLNOFZGFXRPOKZ-LJIZCISZSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001340236687 850974241 /nfs/dbraw/zinc/97/42/41/850974241.db2.gz WLNOFZGFXRPOKZ-OXGONZEZSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001340236688 850974532 /nfs/dbraw/zinc/97/45/32/850974532.db2.gz WLNOFZGFXRPOKZ-QCODTGAPSA-N 2 1 355.504 -0.048 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249659 850975685 /nfs/dbraw/zinc/97/56/85/850975685.db2.gz QNBBMPBVKCTWQI-CVEARBPZSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249662 850975664 /nfs/dbraw/zinc/97/56/64/850975664.db2.gz QNBBMPBVKCTWQI-HOTGVXAUSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249664 850975915 /nfs/dbraw/zinc/97/59/15/850975915.db2.gz QNBBMPBVKCTWQI-HZPDHXFCSA-N 2 1 353.511 -0.427 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249667 850975546 /nfs/dbraw/zinc/97/55/46/850975546.db2.gz QNBBMPBVKCTWQI-JKSUJKDBSA-N 2 1 353.511 -0.427 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)CC[C@@H]21 ZINC001340287499 850977545 /nfs/dbraw/zinc/97/75/45/850977545.db2.gz NVPFCNJFEOTLIE-DGXTUMSLSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)CC[C@H]21 ZINC001340287500 850978034 /nfs/dbraw/zinc/97/80/34/850978034.db2.gz NVPFCNJFEOTLIE-IBEHDNSVSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)CC[C@H]21 ZINC001340287501 850977679 /nfs/dbraw/zinc/97/76/79/850977679.db2.gz NVPFCNJFEOTLIE-OXGONZEZSA-N 2 1 355.504 -0.048 20 0 FBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)CC[C@@H]21 ZINC001340287502 850977780 /nfs/dbraw/zinc/97/77/80/850977780.db2.gz NVPFCNJFEOTLIE-RBGFHDKUSA-N 2 1 355.504 -0.048 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001340323360 850979770 /nfs/dbraw/zinc/97/97/70/850979770.db2.gz NOUHKLWLMPRDKB-FXUDXRNXSA-N 2 1 373.519 -0.422 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001340323362 850980116 /nfs/dbraw/zinc/98/01/16/850980116.db2.gz NOUHKLWLMPRDKB-QKPAOTATSA-N 2 1 373.519 -0.422 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001340323364 850979936 /nfs/dbraw/zinc/97/99/36/850979936.db2.gz NOUHKLWLMPRDKB-QXSJWSMHSA-N 2 1 373.519 -0.422 20 0 FBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001340323366 850980078 /nfs/dbraw/zinc/98/00/78/850980078.db2.gz NOUHKLWLMPRDKB-UGUYLWEFSA-N 2 1 373.519 -0.422 20 0 FBADMP O=C([C@@H]1C[NH2+]CCC12CCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001340344505 850981940 /nfs/dbraw/zinc/98/19/40/850981940.db2.gz FDZJUZBEHBTYEA-AWEZNQCLSA-N 2 1 356.492 -0.788 20 0 FBADMP O=C([C@H]1C[NH2+]CCC12CCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001340344506 850982177 /nfs/dbraw/zinc/98/21/77/850982177.db2.gz FDZJUZBEHBTYEA-CQSZACIVSA-N 2 1 356.492 -0.788 20 0 FBADMP [NH3+][C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCCCC1 ZINC001340348261 850982036 /nfs/dbraw/zinc/98/20/36/850982036.db2.gz FOKOJYRLJROHKX-HNNXBMFYSA-N 2 1 358.508 -0.270 20 0 FBADMP [NH3+][C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCCCCC1 ZINC001340348264 850981839 /nfs/dbraw/zinc/98/18/39/850981839.db2.gz FOKOJYRLJROHKX-OAHLLOKOSA-N 2 1 358.508 -0.270 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001340431045 850986349 /nfs/dbraw/zinc/98/63/49/850986349.db2.gz OYWAVMKHOYCSHE-CYBMUJFWSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001340431045 850986342 /nfs/dbraw/zinc/98/63/42/850986342.db2.gz OYWAVMKHOYCSHE-CYBMUJFWSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@@H]1C ZINC001340431048 850986434 /nfs/dbraw/zinc/98/64/34/850986434.db2.gz OYWAVMKHOYCSHE-ZDUSSCGKSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@@H]1C ZINC001340431048 850986431 /nfs/dbraw/zinc/98/64/31/850986431.db2.gz OYWAVMKHOYCSHE-ZDUSSCGKSA-N 2 1 352.435 -0.019 20 0 FBADMP [NH3+]CCc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC001340482890 850989498 /nfs/dbraw/zinc/98/94/98/850989498.db2.gz JHCXGKIZSJCQSZ-UHFFFAOYSA-N 2 1 352.460 -0.753 20 0 FBADMP [NH3+][C@H](C(=O)NCC1(O)C[NH2+]C1)c1ccccc1I ZINC001340594090 850995806 /nfs/dbraw/zinc/99/58/06/850995806.db2.gz JPHYHQBNLDSDBY-JTQLQIEISA-N 2 1 361.183 -0.259 20 0 FBADMP [NH3+][C@@H](C(=O)NCC1(O)C[NH2+]C1)c1ccccc1I ZINC001340594091 850995577 /nfs/dbraw/zinc/99/55/77/850995577.db2.gz JPHYHQBNLDSDBY-SNVBAGLBSA-N 2 1 361.183 -0.259 20 0 FBADMP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1I ZINC001340662487 851000500 /nfs/dbraw/zinc/00/05/00/851000500.db2.gz VXWQSPJHVMVSEN-OUAUKWLOSA-N 2 1 361.183 -0.260 20 0 FBADMP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1I ZINC001340662489 851000524 /nfs/dbraw/zinc/00/05/24/851000524.db2.gz VXWQSPJHVMVSEN-VWYCJHECSA-N 2 1 361.183 -0.260 20 0 FBADMP Cc1sc(C[NH3+])nc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001340818968 851009110 /nfs/dbraw/zinc/00/91/10/851009110.db2.gz XQYQVSCCBHGPKL-UHFFFAOYSA-N 2 1 352.464 -0.307 20 0 FBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340853688 851012377 /nfs/dbraw/zinc/01/23/77/851012377.db2.gz PCXXJUDUOCJRFW-GDBMZVCRSA-N 2 1 354.495 -0.395 20 0 FBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340853689 851012321 /nfs/dbraw/zinc/01/23/21/851012321.db2.gz PCXXJUDUOCJRFW-GOEBONIOSA-N 2 1 354.495 -0.395 20 0 FBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340853692 851012611 /nfs/dbraw/zinc/01/26/11/851012611.db2.gz PCXXJUDUOCJRFW-HOCLYGCPSA-N 2 1 354.495 -0.395 20 0 FBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340853695 851012893 /nfs/dbraw/zinc/01/28/93/851012893.db2.gz PCXXJUDUOCJRFW-ZBFHGGJFSA-N 2 1 354.495 -0.395 20 0 FBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC2)CC1 ZINC001340855260 851012659 /nfs/dbraw/zinc/01/26/59/851012659.db2.gz VCYIWHJARSJBNS-MRXNPFEDSA-N 2 1 354.495 -0.123 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340891607 851015677 /nfs/dbraw/zinc/01/56/77/851015677.db2.gz AXXLQFWOZDRGID-INIZCTEOSA-N 2 1 353.511 -0.282 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340891610 851015585 /nfs/dbraw/zinc/01/55/85/851015585.db2.gz AXXLQFWOZDRGID-MRXNPFEDSA-N 2 1 353.511 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001340957198 851022483 /nfs/dbraw/zinc/02/24/83/851022483.db2.gz UYDPHGUBRVSISU-ARFHVFGLSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001340957199 851022264 /nfs/dbraw/zinc/02/22/64/851022264.db2.gz UYDPHGUBRVSISU-HRCADAONSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001341020848 851028702 /nfs/dbraw/zinc/02/87/02/851028702.db2.gz DBWYEURSBQIXFW-ARFHVFGLSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001341020859 851029060 /nfs/dbraw/zinc/02/90/60/851029060.db2.gz DBWYEURSBQIXFW-HRCADAONSA-N 2 1 352.479 -0.424 20 0 FBADMP O=C(CCN1CCCS1(=O)=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341038475 851030793 /nfs/dbraw/zinc/03/07/93/851030793.db2.gz AYKPKQITTOAFOR-IYBDPMFKSA-N 2 1 370.519 -0.161 20 0 FBADMP O=C(CC[NH2+]C1CC1)N1CC[NH2+]CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC001341038933 851031080 /nfs/dbraw/zinc/03/10/80/851031080.db2.gz VGUBVKFKEVBHIX-UHFFFAOYSA-N 3 1 351.495 -0.469 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C ZINC001341070266 851035793 /nfs/dbraw/zinc/03/57/93/851035793.db2.gz GRJKBAVDJRVXHI-KBPBESRZSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C ZINC001341070266 851035787 /nfs/dbraw/zinc/03/57/87/851035787.db2.gz GRJKBAVDJRVXHI-KBPBESRZSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C ZINC001341070270 851035666 /nfs/dbraw/zinc/03/56/66/851035666.db2.gz GRJKBAVDJRVXHI-KGLIPLIRSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C ZINC001341070270 851035663 /nfs/dbraw/zinc/03/56/63/851035663.db2.gz GRJKBAVDJRVXHI-KGLIPLIRSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C ZINC001341070273 851035055 /nfs/dbraw/zinc/03/50/55/851035055.db2.gz GRJKBAVDJRVXHI-UONOGXRCSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H]1C ZINC001341070273 851035047 /nfs/dbraw/zinc/03/50/47/851035047.db2.gz GRJKBAVDJRVXHI-UONOGXRCSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C ZINC001341070275 851035459 /nfs/dbraw/zinc/03/54/59/851035459.db2.gz GRJKBAVDJRVXHI-ZIAGYGMSSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C ZINC001341070275 851035448 /nfs/dbraw/zinc/03/54/48/851035448.db2.gz GRJKBAVDJRVXHI-ZIAGYGMSSA-N 2 1 354.451 -0.721 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099978 851038852 /nfs/dbraw/zinc/03/88/52/851038852.db2.gz ONJKYERTOWIMNI-CVEARBPZSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099980 851038519 /nfs/dbraw/zinc/03/85/19/851038519.db2.gz ONJKYERTOWIMNI-HOTGVXAUSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099982 851038985 /nfs/dbraw/zinc/03/89/85/851038985.db2.gz ONJKYERTOWIMNI-HZPDHXFCSA-N 2 1 351.495 -0.659 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099984 851038443 /nfs/dbraw/zinc/03/84/43/851038443.db2.gz ONJKYERTOWIMNI-JKSUJKDBSA-N 2 1 351.495 -0.659 20 0 FBADMP O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341115610 851040737 /nfs/dbraw/zinc/04/07/37/851040737.db2.gz XBQMRHUMDNGMSD-BMFZPTHFSA-N 2 1 370.519 -0.257 20 0 FBADMP O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341115611 851040937 /nfs/dbraw/zinc/04/09/37/851040937.db2.gz XBQMRHUMDNGMSD-BPUTZDHNSA-N 2 1 370.519 -0.257 20 0 FBADMP O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341115612 851040844 /nfs/dbraw/zinc/04/08/44/851040844.db2.gz XBQMRHUMDNGMSD-IMJJTQAJSA-N 2 1 370.519 -0.257 20 0 FBADMP O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341115613 851041228 /nfs/dbraw/zinc/04/12/28/851041228.db2.gz XBQMRHUMDNGMSD-KBMXLJTQSA-N 2 1 370.519 -0.257 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001341184042 851048821 /nfs/dbraw/zinc/04/88/21/851048821.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001341184042 851048809 /nfs/dbraw/zinc/04/88/09/851048809.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001341184042 851048799 /nfs/dbraw/zinc/04/87/99/851048799.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001341184044 851048675 /nfs/dbraw/zinc/04/86/75/851048675.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001341184044 851048662 /nfs/dbraw/zinc/04/86/62/851048662.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001341184044 851048652 /nfs/dbraw/zinc/04/86/52/851048652.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001341184047 851049415 /nfs/dbraw/zinc/04/94/15/851049415.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001341184047 851049410 /nfs/dbraw/zinc/04/94/10/851049410.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001341184047 851049405 /nfs/dbraw/zinc/04/94/05/851049405.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001341184050 851049373 /nfs/dbraw/zinc/04/93/73/851049373.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001341184050 851049368 /nfs/dbraw/zinc/04/93/68/851049368.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001341184050 851049364 /nfs/dbraw/zinc/04/93/64/851049364.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 2 1 350.463 -0.338 20 0 FBADMP CC[N@H+]1CCCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)CC1 ZINC001341238531 851056106 /nfs/dbraw/zinc/05/61/06/851056106.db2.gz TWKMWEKPTUSVJW-CYBMUJFWSA-N 2 1 352.439 -0.058 20 0 FBADMP CC[N@H+]1CCCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)CC1 ZINC001341238534 851056296 /nfs/dbraw/zinc/05/62/96/851056296.db2.gz TWKMWEKPTUSVJW-ZDUSSCGKSA-N 2 1 352.439 -0.058 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341418983 851087009 /nfs/dbraw/zinc/08/70/09/851087009.db2.gz LLNXSCHJYJWPGR-JJXSEGSLSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341418985 851087474 /nfs/dbraw/zinc/08/74/74/851087474.db2.gz LLNXSCHJYJWPGR-ZJIFWQFVSA-N 2 1 350.463 -0.291 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001341420226 851088075 /nfs/dbraw/zinc/08/80/75/851088075.db2.gz SABFGZUAMNHUTQ-HZPDHXFCSA-N 2 1 354.495 -0.252 20 0 FBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001341432887 851090389 /nfs/dbraw/zinc/09/03/89/851090389.db2.gz JWKYDJSTVACOKF-ZIAGYGMSSA-N 2 1 351.451 -0.354 20 0 FBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)C1 ZINC001341437147 851092613 /nfs/dbraw/zinc/09/26/13/851092613.db2.gz WSGQTUKRGSBOHB-ARFHVFGLSA-N 2 1 352.479 -0.498 20 0 FBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)C1 ZINC001341437150 851092062 /nfs/dbraw/zinc/09/20/62/851092062.db2.gz WSGQTUKRGSBOHB-BZUAXINKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)CC[N@H+]1C ZINC001341460485 851096707 /nfs/dbraw/zinc/09/67/07/851096707.db2.gz MHTRWWFHOCLMCD-KLHDSHLOSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104555 /nfs/dbraw/zinc/10/45/55/851104555.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104550 /nfs/dbraw/zinc/10/45/50/851104550.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104542 /nfs/dbraw/zinc/10/45/42/851104542.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1O ZINC001341505750 851105041 /nfs/dbraw/zinc/10/50/41/851105041.db2.gz DUMWRQLEXSPQRY-HUUCEWRRSA-N 2 1 351.451 -0.309 20 0 FBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001341506553 851105712 /nfs/dbraw/zinc/10/57/12/851105712.db2.gz NEKSILKBPPDVLB-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001341506554 851105695 /nfs/dbraw/zinc/10/56/95/851105695.db2.gz NEKSILKBPPDVLB-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507627 851106087 /nfs/dbraw/zinc/10/60/87/851106087.db2.gz VILMXYGSSJJVLZ-ARFHVFGLSA-N 2 1 352.479 -0.644 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507628 851105795 /nfs/dbraw/zinc/10/57/95/851105795.db2.gz VILMXYGSSJJVLZ-BZUAXINKSA-N 2 1 352.479 -0.644 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001341520188 851109080 /nfs/dbraw/zinc/10/90/80/851109080.db2.gz CZDGCENFGDKKKT-INMHGKMJSA-N 2 1 356.511 -0.008 20 0 FBADMP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001341520543 851108888 /nfs/dbraw/zinc/10/88/88/851108888.db2.gz FOVLIHJIUPQVRY-INMHGKMJSA-N 2 1 354.495 -0.255 20 0 FBADMP C[NH+](C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)Cc1ccccc1 ZINC001341531486 851111388 /nfs/dbraw/zinc/11/13/88/851111388.db2.gz BBLZZGCDUOBBIJ-BQFCYCMXSA-N 2 1 365.499 -0.090 20 0 FBADMP C[NH+](C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)Cc1ccccc1 ZINC001341531487 851111749 /nfs/dbraw/zinc/11/17/49/851111749.db2.gz BBLZZGCDUOBBIJ-JZXOWHBKSA-N 2 1 365.499 -0.090 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001341548085 851113912 /nfs/dbraw/zinc/11/39/12/851113912.db2.gz UHMKJWWNIPKYRA-ARFHVFGLSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001341548097 851113745 /nfs/dbraw/zinc/11/37/45/851113745.db2.gz UHMKJWWNIPKYRA-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341550548 851113388 /nfs/dbraw/zinc/11/33/88/851113388.db2.gz ALUPJONSWUEXDL-GOSISDBHSA-N 2 1 354.495 -0.106 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341550548 851113381 /nfs/dbraw/zinc/11/33/81/851113381.db2.gz ALUPJONSWUEXDL-GOSISDBHSA-N 2 1 354.495 -0.106 20 0 FBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341550549 851113956 /nfs/dbraw/zinc/11/39/56/851113956.db2.gz ALUPJONSWUEXDL-SFHVURJKSA-N 2 1 354.495 -0.106 20 0 FBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341550549 851113952 /nfs/dbraw/zinc/11/39/52/851113952.db2.gz ALUPJONSWUEXDL-SFHVURJKSA-N 2 1 354.495 -0.106 20 0 FBADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1)CC(C)(C)C ZINC001341553302 851114649 /nfs/dbraw/zinc/11/46/49/851114649.db2.gz MPFSXWOQTCNSSQ-ZIAGYGMSSA-N 2 1 351.451 -0.451 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001341554839 851115859 /nfs/dbraw/zinc/11/58/59/851115859.db2.gz WAFSSIKIVBSCHJ-HUUCEWRRSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001341555967 851116186 /nfs/dbraw/zinc/11/61/86/851116186.db2.gz QHKQPOKZPIPKBN-BZUAXINKSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001341555969 851115713 /nfs/dbraw/zinc/11/57/13/851115713.db2.gz QHKQPOKZPIPKBN-OAGGEKHMSA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001341555970 851115577 /nfs/dbraw/zinc/11/55/77/851115577.db2.gz QHKQPOKZPIPKBN-OWCLPIDISA-N 2 1 352.479 -0.186 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001341555971 851115693 /nfs/dbraw/zinc/11/56/93/851115693.db2.gz QHKQPOKZPIPKBN-PMPSAXMXSA-N 2 1 352.479 -0.186 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585527 851121543 /nfs/dbraw/zinc/12/15/43/851121543.db2.gz ODKFDSRYEQNOKR-RKVPGOIHSA-N 2 1 352.479 -0.329 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585530 851121117 /nfs/dbraw/zinc/12/11/17/851121117.db2.gz ODKFDSRYEQNOKR-VKJFTORMSA-N 2 1 352.479 -0.329 20 0 FBADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001341598014 851123828 /nfs/dbraw/zinc/12/38/28/851123828.db2.gz GHHJSSDFSPPNHM-GUYCJALGSA-N 2 1 373.519 -0.374 20 0 FBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC001341600414 851124553 /nfs/dbraw/zinc/12/45/53/851124553.db2.gz QWIDQVYIILEAKC-BZUAXINKSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC001341600417 851124955 /nfs/dbraw/zinc/12/49/55/851124955.db2.gz QWIDQVYIILEAKC-OAGGEKHMSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC001341600419 851125165 /nfs/dbraw/zinc/12/51/65/851125165.db2.gz QWIDQVYIILEAKC-OWCLPIDISA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC001341600421 851125109 /nfs/dbraw/zinc/12/51/09/851125109.db2.gz QWIDQVYIILEAKC-PMPSAXMXSA-N 2 1 352.479 -0.057 20 0 FBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001341620267 851129802 /nfs/dbraw/zinc/12/98/02/851129802.db2.gz UYEKLHVEAYIRLL-VYDXJSESSA-N 2 1 355.504 -0.189 20 0 FBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001341620269 851129831 /nfs/dbraw/zinc/12/98/31/851129831.db2.gz UYEKLHVEAYIRLL-ZOBUZTSGSA-N 2 1 355.504 -0.189 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001341625832 851129503 /nfs/dbraw/zinc/12/95/03/851129503.db2.gz AWHIJSDYDUIWCK-DOTOQJQBSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001341625833 851129479 /nfs/dbraw/zinc/12/94/79/851129479.db2.gz AWHIJSDYDUIWCK-NVXWUHKLSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001341625834 851129923 /nfs/dbraw/zinc/12/99/23/851129923.db2.gz AWHIJSDYDUIWCK-RDJZCZTQSA-N 2 1 355.527 -0.134 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001341625835 851130051 /nfs/dbraw/zinc/13/00/51/851130051.db2.gz AWHIJSDYDUIWCK-WBVHZDCISA-N 2 1 355.527 -0.134 20 0 FBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001341657686 851135607 /nfs/dbraw/zinc/13/56/07/851135607.db2.gz QGFUQQXWDANOFD-HUUCEWRRSA-N 2 1 351.451 -0.389 20 0 FBADMP C[C@H]1Cn2nc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C[NH2+]1 ZINC001341664518 851137846 /nfs/dbraw/zinc/13/78/46/851137846.db2.gz CFQGFMFGOYKYIH-GWCFXTLKSA-N 2 1 360.384 -0.059 20 0 FBADMP C[C@H]1Cn2nc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C[NH2+]1 ZINC001341664519 851137785 /nfs/dbraw/zinc/13/77/85/851137785.db2.gz CFQGFMFGOYKYIH-GXFFZTMASA-N 2 1 360.384 -0.059 20 0 FBADMP C[C@@H]1Cn2nc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C[NH2+]1 ZINC001341664520 851137647 /nfs/dbraw/zinc/13/76/47/851137647.db2.gz CFQGFMFGOYKYIH-MFKMUULPSA-N 2 1 360.384 -0.059 20 0 FBADMP C[C@@H]1Cn2nc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C[NH2+]1 ZINC001341664521 851137885 /nfs/dbraw/zinc/13/78/85/851137885.db2.gz CFQGFMFGOYKYIH-ZWNOBZJWSA-N 2 1 360.384 -0.059 20 0 FBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666282 851137665 /nfs/dbraw/zinc/13/76/65/851137665.db2.gz STOPUTRTTPNJCJ-CYBMUJFWSA-N 2 1 352.401 -0.357 20 0 FBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666283 851137515 /nfs/dbraw/zinc/13/75/15/851137515.db2.gz STOPUTRTTPNJCJ-ZDUSSCGKSA-N 2 1 352.401 -0.357 20 0 FBADMP O=C(CN1CCCS1(=O)=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341678946 851140203 /nfs/dbraw/zinc/14/02/03/851140203.db2.gz BLAIVMDLVPNXST-GASCZTMLSA-N 2 1 356.492 -0.551 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC001341694640 851142194 /nfs/dbraw/zinc/14/21/94/851142194.db2.gz ALNKJDZXHVIVQS-CRAIPNDOSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)CC2)CC1 ZINC001341694641 851142293 /nfs/dbraw/zinc/14/22/93/851142293.db2.gz ALNKJDZXHVIVQS-MAUKXSAKSA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC001341694642 851142360 /nfs/dbraw/zinc/14/23/60/851142360.db2.gz ALNKJDZXHVIVQS-QAPCUYQASA-N 2 1 352.479 -0.498 20 0 FBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC2)CC1 ZINC001341694643 851142345 /nfs/dbraw/zinc/14/23/45/851142345.db2.gz ALNKJDZXHVIVQS-YJBOKZPZSA-N 2 1 352.479 -0.498 20 0 FBADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341698890 851142958 /nfs/dbraw/zinc/14/29/58/851142958.db2.gz CNKAKZAOWLCICW-BMFZPTHFSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341698891 851143065 /nfs/dbraw/zinc/14/30/65/851143065.db2.gz CNKAKZAOWLCICW-FVQBIDKESA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341698892 851142907 /nfs/dbraw/zinc/14/29/07/851142907.db2.gz CNKAKZAOWLCICW-IMJJTQAJSA-N 2 1 350.463 -0.434 20 0 FBADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341698893 851142986 /nfs/dbraw/zinc/14/29/86/851142986.db2.gz CNKAKZAOWLCICW-NUEKZKHPSA-N 2 1 350.463 -0.434 20 0 FBADMP C[C@@H]([NH3+])C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699975 851143291 /nfs/dbraw/zinc/14/32/91/851143291.db2.gz IMPHKGZBKGTCGT-CVEARBPZSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@H]([NH3+])C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699977 851143359 /nfs/dbraw/zinc/14/33/59/851143359.db2.gz IMPHKGZBKGTCGT-HOTGVXAUSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699980 851143084 /nfs/dbraw/zinc/14/30/84/851143084.db2.gz IMPHKGZBKGTCGT-HZPDHXFCSA-N 2 1 354.495 -0.347 20 0 FBADMP C[C@H]([NH3+])C1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699983 851143139 /nfs/dbraw/zinc/14/31/39/851143139.db2.gz IMPHKGZBKGTCGT-JKSUJKDBSA-N 2 1 354.495 -0.347 20 0 FBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001341703803 851143105 /nfs/dbraw/zinc/14/31/05/851143105.db2.gz PJSUBMYHCUWQFZ-HOTGVXAUSA-N 2 1 352.479 -0.342 20 0 FBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001341734260 851148655 /nfs/dbraw/zinc/14/86/55/851148655.db2.gz UUWSQSOKEMKTJB-CABCVRRESA-N 2 1 350.467 -0.679 20 0 FBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001341734261 851148881 /nfs/dbraw/zinc/14/88/81/851148881.db2.gz UUWSQSOKEMKTJB-GJZGRUSLSA-N 2 1 350.467 -0.679 20 0 FBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001341734263 851148943 /nfs/dbraw/zinc/14/89/43/851148943.db2.gz UUWSQSOKEMKTJB-HUUCEWRRSA-N 2 1 350.467 -0.679 20 0 FBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001341734265 851148786 /nfs/dbraw/zinc/14/87/86/851148786.db2.gz UUWSQSOKEMKTJB-LSDHHAIUSA-N 2 1 350.467 -0.679 20 0 FBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738613 851150449 /nfs/dbraw/zinc/15/04/49/851150449.db2.gz USWCRPOLYDROQS-BZUAXINKSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738614 851150989 /nfs/dbraw/zinc/15/09/89/851150989.db2.gz USWCRPOLYDROQS-OWCLPIDISA-N 2 1 354.495 -0.110 20 0 FBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001341747225 851150614 /nfs/dbraw/zinc/15/06/14/851150614.db2.gz KOHFWLOIPWPXSP-CAOSSQGBSA-N 2 1 354.495 -0.254 20 0 FBADMP C[NH2+]C1(C(=O)N2CC[NH2+]CCN(C(=O)C3([NH2+]C)CCC3)CC2)CCC1 ZINC001341779726 851156764 /nfs/dbraw/zinc/15/67/64/851156764.db2.gz GDVLCVWFJRHUEK-UHFFFAOYSA-N 3 1 351.495 -0.469 20 0 FBADMP O=C([C@H]1CCCC[NH2+]1)N1CC[NH2+]CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001341781760 851156958 /nfs/dbraw/zinc/15/69/58/851156958.db2.gz RSTGJPPGGDUFOE-HZPDHXFCSA-N 3 1 351.495 -0.469 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)C1 ZINC001341812884 851161058 /nfs/dbraw/zinc/16/10/58/851161058.db2.gz ATDIXFOCVNEMKB-ARFHVFGLSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)C1 ZINC001341812886 851161249 /nfs/dbraw/zinc/16/12/49/851161249.db2.gz ATDIXFOCVNEMKB-BZUAXINKSA-N 2 1 354.495 -0.252 20 0 FBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2O)C1 ZINC001341815095 851163721 /nfs/dbraw/zinc/16/37/21/851163721.db2.gz VYRFKVPBYCVAJU-RBSFLKMASA-N 2 1 352.479 -0.642 20 0 FBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2O)C1 ZINC001341815097 851163980 /nfs/dbraw/zinc/16/39/80/851163980.db2.gz VYRFKVPBYCVAJU-RRFJBIMHSA-N 2 1 352.479 -0.642 20 0 FBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCCCC[NH+]2CCNCC2)CC1=O ZINC001341821892 851164758 /nfs/dbraw/zinc/16/47/58/851164758.db2.gz GXKZIYKOEFVGSU-INIZCTEOSA-N 2 1 353.511 -0.412 20 0 FBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCCCC[NH+]2CCNCC2)CC1=O ZINC001341821893 851164669 /nfs/dbraw/zinc/16/46/69/851164669.db2.gz GXKZIYKOEFVGSU-MRXNPFEDSA-N 2 1 353.511 -0.412 20 0 FBADMP CN(C(=O)[C@@H]1C[C@@H]1C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001341825018 851164634 /nfs/dbraw/zinc/16/46/34/851164634.db2.gz NMWKHTBGIPMNCI-GDBMZVCRSA-N 2 1 351.495 -0.722 20 0 FBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1(C2CC[NH2+]CC2)CC1 ZINC001341859154 851171236 /nfs/dbraw/zinc/17/12/36/851171236.db2.gz HSKXUSQBZBRHDA-UHFFFAOYSA-N 2 1 356.492 -0.788 20 0 FBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001341859492 851171110 /nfs/dbraw/zinc/17/11/10/851171110.db2.gz MINRUVKMJYMEHF-GOEBONIOSA-N 2 1 356.492 -0.646 20 0 FBADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860495 851170804 /nfs/dbraw/zinc/17/08/04/851170804.db2.gz YBLHEEVONBSBJM-DZGCQCFKSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860495 851170795 /nfs/dbraw/zinc/17/07/95/851170795.db2.gz YBLHEEVONBSBJM-DZGCQCFKSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860500 851170981 /nfs/dbraw/zinc/17/09/81/851170981.db2.gz YBLHEEVONBSBJM-HIFRSBDPSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860500 851170972 /nfs/dbraw/zinc/17/09/72/851170972.db2.gz YBLHEEVONBSBJM-HIFRSBDPSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860503 851170875 /nfs/dbraw/zinc/17/08/75/851170875.db2.gz YBLHEEVONBSBJM-UKRRQHHQSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860503 851170867 /nfs/dbraw/zinc/17/08/67/851170867.db2.gz YBLHEEVONBSBJM-UKRRQHHQSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860507 851171085 /nfs/dbraw/zinc/17/10/85/851171085.db2.gz YBLHEEVONBSBJM-ZFWWWQNUSA-N 2 1 356.492 -0.551 20 0 FBADMP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001341860507 851171079 /nfs/dbraw/zinc/17/10/79/851171079.db2.gz YBLHEEVONBSBJM-ZFWWWQNUSA-N 2 1 356.492 -0.551 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C1 ZINC001341892743 851174473 /nfs/dbraw/zinc/17/44/73/851174473.db2.gz XRWMDOICRKTMHL-KBPBESRZSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C1 ZINC001341892743 851174470 /nfs/dbraw/zinc/17/44/70/851174470.db2.gz XRWMDOICRKTMHL-KBPBESRZSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C1 ZINC001341892744 851174224 /nfs/dbraw/zinc/17/42/24/851174224.db2.gz XRWMDOICRKTMHL-KGLIPLIRSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C1 ZINC001341892744 851174216 /nfs/dbraw/zinc/17/42/16/851174216.db2.gz XRWMDOICRKTMHL-KGLIPLIRSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C1 ZINC001341892746 851174740 /nfs/dbraw/zinc/17/47/40/851174740.db2.gz XRWMDOICRKTMHL-UONOGXRCSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)C1 ZINC001341892746 851174733 /nfs/dbraw/zinc/17/47/33/851174733.db2.gz XRWMDOICRKTMHL-UONOGXRCSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C1 ZINC001341892748 851174249 /nfs/dbraw/zinc/17/42/49/851174249.db2.gz XRWMDOICRKTMHL-ZIAGYGMSSA-N 2 1 354.451 -0.721 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C)C1 ZINC001341892748 851174246 /nfs/dbraw/zinc/17/42/46/851174246.db2.gz XRWMDOICRKTMHL-ZIAGYGMSSA-N 2 1 354.451 -0.721 20 0 FBADMP C[N@H+]1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@@H](CO)C1 ZINC001341940388 851179369 /nfs/dbraw/zinc/17/93/69/851179369.db2.gz HJSNEYZNEQWNDL-LLVKDONJSA-N 2 1 373.251 -0.682 20 0 FBADMP C[N@@H+]1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@@H](CO)C1 ZINC001341940388 851179366 /nfs/dbraw/zinc/17/93/66/851179366.db2.gz HJSNEYZNEQWNDL-LLVKDONJSA-N 2 1 373.251 -0.682 20 0 FBADMP C[N@H+]1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@H](CO)C1 ZINC001341940389 851179510 /nfs/dbraw/zinc/17/95/10/851179510.db2.gz HJSNEYZNEQWNDL-NSHDSACASA-N 2 1 373.251 -0.682 20 0 FBADMP C[N@@H+]1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@H](CO)C1 ZINC001341940389 851179501 /nfs/dbraw/zinc/17/95/01/851179501.db2.gz HJSNEYZNEQWNDL-NSHDSACASA-N 2 1 373.251 -0.682 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342026684 851188837 /nfs/dbraw/zinc/18/88/37/851188837.db2.gz HOQZJDFLPJSQAM-DLTWYDFYSA-N 2 1 350.463 -0.624 20 0 FBADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342026687 851188944 /nfs/dbraw/zinc/18/89/44/851188944.db2.gz HOQZJDFLPJSQAM-QSJFSLAZSA-N 2 1 350.463 -0.624 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001342083944 851196187 /nfs/dbraw/zinc/19/61/87/851196187.db2.gz JMVABWQVIHZSBO-INIZCTEOSA-N 2 1 354.495 -0.380 20 0 FBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001342083945 851196484 /nfs/dbraw/zinc/19/64/84/851196484.db2.gz JMVABWQVIHZSBO-MRXNPFEDSA-N 2 1 354.495 -0.380 20 0 FBADMP CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+]1CCOC ZINC001342141010 851202937 /nfs/dbraw/zinc/20/29/37/851202937.db2.gz QFWXMUZETNPPPH-CABCVRRESA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+]1CCOC ZINC001342141011 851202286 /nfs/dbraw/zinc/20/22/86/851202286.db2.gz QFWXMUZETNPPPH-GJZGRUSLSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+]1CCOC ZINC001342141013 851202340 /nfs/dbraw/zinc/20/23/40/851202340.db2.gz QFWXMUZETNPPPH-HUUCEWRRSA-N 2 1 352.479 -0.234 20 0 FBADMP CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+]1CCOC ZINC001342141014 851202563 /nfs/dbraw/zinc/20/25/63/851202563.db2.gz QFWXMUZETNPPPH-LSDHHAIUSA-N 2 1 352.479 -0.234 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=NOC2(C1)CC[NH2+]CC2 ZINC001342147014 851203812 /nfs/dbraw/zinc/20/38/12/851203812.db2.gz GSQJOSCKYGHMHD-XJKSGUPXSA-N 2 1 352.435 -0.773 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001342147648 851204084 /nfs/dbraw/zinc/20/40/84/851204084.db2.gz MAEYQVWNJYMZKM-IAOVAPTHSA-N 2 1 352.435 -0.773 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001342147654 851203695 /nfs/dbraw/zinc/20/36/95/851203695.db2.gz MAEYQVWNJYMZKM-XKQJLSEDSA-N 2 1 352.435 -0.773 20 0 FBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001342204887 851210226 /nfs/dbraw/zinc/21/02/26/851210226.db2.gz BXGXRZNQNARSSE-UKRRQHHQSA-N 2 1 351.451 -0.267 20 0 FBADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273205 851215434 /nfs/dbraw/zinc/21/54/34/851215434.db2.gz XDLWSSSQLXXAFZ-VYDXJSESSA-N 2 1 355.504 -0.141 20 0 FBADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273208 851215404 /nfs/dbraw/zinc/21/54/04/851215404.db2.gz XDLWSSSQLXXAFZ-ZOBUZTSGSA-N 2 1 355.504 -0.141 20 0 FBADMP CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342530880 851240076 /nfs/dbraw/zinc/24/00/76/851240076.db2.gz TZODMPLIJHDCSQ-OWCLPIDISA-N 2 1 370.519 -0.162 20 0 FBADMP CS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342530881 851239998 /nfs/dbraw/zinc/23/99/98/851239998.db2.gz TZODMPLIJHDCSQ-XHSDSOJGSA-N 2 1 370.519 -0.162 20 0 FBADMP CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342536943 851239956 /nfs/dbraw/zinc/23/99/56/851239956.db2.gz UPXWUMPDOVHXRX-OKILXGFUSA-N 2 1 358.508 -0.259 20 0 FBADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1OCC(N)=O ZINC001342569000 851243031 /nfs/dbraw/zinc/24/30/31/851243031.db2.gz ICGNQZQPMBTYLT-KRWDZBQOSA-N 2 1 353.419 -0.276 20 0 FBADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1OCC(N)=O ZINC001342569000 851243025 /nfs/dbraw/zinc/24/30/25/851243025.db2.gz ICGNQZQPMBTYLT-KRWDZBQOSA-N 2 1 353.419 -0.276 20 0 FBADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1OCC(N)=O ZINC001342569003 851242858 /nfs/dbraw/zinc/24/28/58/851242858.db2.gz ICGNQZQPMBTYLT-QGZVFWFLSA-N 2 1 353.419 -0.276 20 0 FBADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(OC)c1OCC(N)=O ZINC001342569003 851242853 /nfs/dbraw/zinc/24/28/53/851242853.db2.gz ICGNQZQPMBTYLT-QGZVFWFLSA-N 2 1 353.419 -0.276 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1=O ZINC001342628695 851248583 /nfs/dbraw/zinc/24/85/83/851248583.db2.gz RHQKMNJUGOPVKI-DAYGRLMNSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1=O ZINC001342628697 851247838 /nfs/dbraw/zinc/24/78/38/851247838.db2.gz RHQKMNJUGOPVKI-HDMKZQKVSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1=O ZINC001342628700 851248461 /nfs/dbraw/zinc/24/84/61/851248461.db2.gz RHQKMNJUGOPVKI-IIDMSEBBSA-N 2 1 352.479 -0.369 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1=O ZINC001342628703 851248276 /nfs/dbraw/zinc/24/82/76/851248276.db2.gz RHQKMNJUGOPVKI-RKVPGOIHSA-N 2 1 352.479 -0.369 20 0 FBADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC001342643186 851249061 /nfs/dbraw/zinc/24/90/61/851249061.db2.gz LQVXYYCALHARNS-KBPBESRZSA-N 3 1 351.495 -0.757 20 0 FBADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC001342643190 851249692 /nfs/dbraw/zinc/24/96/92/851249692.db2.gz LQVXYYCALHARNS-OKILXGFUSA-N 3 1 351.495 -0.757 20 0 FBADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC001342643451 851249619 /nfs/dbraw/zinc/24/96/19/851249619.db2.gz LQVXYYCALHARNS-ZIAGYGMSSA-N 3 1 351.495 -0.757 20 0 FBADMP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001342738012 851257055 /nfs/dbraw/zinc/25/70/55/851257055.db2.gz JKVNKTHDMICWNM-GFCCVEGCSA-N 2 1 352.439 -0.060 20 0 FBADMP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001342738013 851257196 /nfs/dbraw/zinc/25/71/96/851257196.db2.gz JKVNKTHDMICWNM-LBPRGKRZSA-N 2 1 352.439 -0.060 20 0 FBADMP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001342797586 851267472 /nfs/dbraw/zinc/26/74/72/851267472.db2.gz ZPIQCLSKFWGHMH-QLFBSQMISA-N 2 1 356.467 -0.999 20 0 FBADMP [NH3+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001342845183 851274758 /nfs/dbraw/zinc/27/47/58/851274758.db2.gz SIOUGXACKGZYLF-ARFHVFGLSA-N 2 1 352.479 -0.057 20 0 FBADMP [NH3+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001342845184 851274882 /nfs/dbraw/zinc/27/48/82/851274882.db2.gz SIOUGXACKGZYLF-XHSDSOJGSA-N 2 1 352.479 -0.057 20 0 FBADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001342928950 851285013 /nfs/dbraw/zinc/28/50/13/851285013.db2.gz AABDYJROLCAIBX-HUUCEWRRSA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001342928950 851285003 /nfs/dbraw/zinc/28/50/03/851285003.db2.gz AABDYJROLCAIBX-HUUCEWRRSA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342936462 851287159 /nfs/dbraw/zinc/28/71/59/851287159.db2.gz NLWONQNWNDOKMT-RBSFLKMASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OC)[NH+](C)C ZINC001342954314 851289136 /nfs/dbraw/zinc/28/91/36/851289136.db2.gz YDMGLOLOGLTKOD-RBSFLKMASA-N 2 1 351.451 -0.126 20 0 FBADMP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001343014235 851298563 /nfs/dbraw/zinc/29/85/63/851298563.db2.gz YOWMUQNJFGKVCC-RKVPGOIHSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC001343056648 851302477 /nfs/dbraw/zinc/30/24/77/851302477.db2.gz UJFNQVOOCWGNPV-ARFHVFGLSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC001343056650 851303204 /nfs/dbraw/zinc/30/32/04/851303204.db2.gz UJFNQVOOCWGNPV-BZUAXINKSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC001343056651 851302857 /nfs/dbraw/zinc/30/28/57/851302857.db2.gz UJFNQVOOCWGNPV-OAGGEKHMSA-N 2 1 352.479 -0.234 20 0 FBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC001343056653 851303142 /nfs/dbraw/zinc/30/31/42/851303142.db2.gz UJFNQVOOCWGNPV-XHSDSOJGSA-N 2 1 352.479 -0.234 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001343069761 851303692 /nfs/dbraw/zinc/30/36/92/851303692.db2.gz LLNXSCHJYJWPGR-QKPAOTATSA-N 2 1 350.463 -0.291 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001343069764 851304064 /nfs/dbraw/zinc/30/40/64/851304064.db2.gz LLNXSCHJYJWPGR-QXSJWSMHSA-N 2 1 350.463 -0.291 20 0 FBADMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OC)[NH+](C)C ZINC001343116596 851310498 /nfs/dbraw/zinc/31/04/98/851310498.db2.gz YDMGLOLOGLTKOD-QLFBSQMISA-N 2 1 351.451 -0.126 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001343172968 851321037 /nfs/dbraw/zinc/32/10/37/851321037.db2.gz ZETCJWHVZGBCRU-HOTGVXAUSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001343172972 851320950 /nfs/dbraw/zinc/32/09/50/851320950.db2.gz ZETCJWHVZGBCRU-HZPDHXFCSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001343172974 851320989 /nfs/dbraw/zinc/32/09/89/851320989.db2.gz ZETCJWHVZGBCRU-IYBDPMFKSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001343172974 851320982 /nfs/dbraw/zinc/32/09/82/851320982.db2.gz ZETCJWHVZGBCRU-IYBDPMFKSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001343172974 851320975 /nfs/dbraw/zinc/32/09/75/851320975.db2.gz ZETCJWHVZGBCRU-IYBDPMFKSA-N 3 1 353.511 -0.508 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC001343250448 851334614 /nfs/dbraw/zinc/33/46/14/851334614.db2.gz ATPRDUKCOLHXBV-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC001343250448 851334601 /nfs/dbraw/zinc/33/46/01/851334601.db2.gz ATPRDUKCOLHXBV-UHFFFAOYSA-N 2 1 352.439 -0.778 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC001343280736 851339452 /nfs/dbraw/zinc/33/94/52/851339452.db2.gz KNKKXYVFQWXSSU-KLHDSHLOSA-N 3 1 353.511 -0.511 20 0 FBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001343371820 851359474 /nfs/dbraw/zinc/35/94/74/851359474.db2.gz SABFGZUAMNHUTQ-CVEARBPZSA-N 2 1 354.495 -0.252 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001343390974 851364037 /nfs/dbraw/zinc/36/40/37/851364037.db2.gz BBHPVMVYCJLVEA-KDOFPFPSSA-N 2 1 352.479 -0.281 20 0 FBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393863 851364203 /nfs/dbraw/zinc/36/42/03/851364203.db2.gz IUPGITVAJPCLJZ-QLFBSQMISA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393867 851364292 /nfs/dbraw/zinc/36/42/92/851364292.db2.gz IUPGITVAJPCLJZ-ZNMIVQPWSA-N 2 1 352.479 -0.188 20 0 FBADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343399638 851366348 /nfs/dbraw/zinc/36/63/48/851366348.db2.gz ZZXIFKVDSXJCTG-CABCVRRESA-N 2 1 354.495 -0.252 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343408091 851368165 /nfs/dbraw/zinc/36/81/65/851368165.db2.gz SCRACUWFSWLMBF-HNNXBMFYSA-N 2 1 351.495 -0.804 20 0 FBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343408092 851368127 /nfs/dbraw/zinc/36/81/27/851368127.db2.gz SCRACUWFSWLMBF-OAHLLOKOSA-N 2 1 351.495 -0.804 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377250 /nfs/dbraw/zinc/37/72/50/851377250.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377235 /nfs/dbraw/zinc/37/72/35/851377235.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377226 /nfs/dbraw/zinc/37/72/26/851377226.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 2 1 354.495 -0.255 20 0 FBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001343451084 851376987 /nfs/dbraw/zinc/37/69/87/851376987.db2.gz BRHCSSMJTBTDSN-CABCVRRESA-N 2 1 354.495 -0.111 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CNCCS2(=O)=O)CC1 ZINC001343453602 851378825 /nfs/dbraw/zinc/37/88/25/851378825.db2.gz QLLNBLLZNJAOET-CYBMUJFWSA-N 2 1 367.475 -0.451 20 0 FBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CNCCS2(=O)=O)CC1 ZINC001343453604 851378805 /nfs/dbraw/zinc/37/88/05/851378805.db2.gz QLLNBLLZNJAOET-ZDUSSCGKSA-N 2 1 367.475 -0.451 20 0 FBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001343453856 851378847 /nfs/dbraw/zinc/37/88/47/851378847.db2.gz TXDOSGKSCYFJHQ-OAGGEKHMSA-N 2 1 352.479 -0.356 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001343454624 851378320 /nfs/dbraw/zinc/37/83/20/851378320.db2.gz ZKCMMHMVPQPRHF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001343454624 851378309 /nfs/dbraw/zinc/37/83/09/851378309.db2.gz ZKCMMHMVPQPRHF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001343454624 851378298 /nfs/dbraw/zinc/37/82/98/851378298.db2.gz ZKCMMHMVPQPRHF-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001343454626 851378997 /nfs/dbraw/zinc/37/89/97/851378997.db2.gz ZKCMMHMVPQPRHF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001343454626 851378990 /nfs/dbraw/zinc/37/89/90/851378990.db2.gz ZKCMMHMVPQPRHF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001343454626 851378980 /nfs/dbraw/zinc/37/89/80/851378980.db2.gz ZKCMMHMVPQPRHF-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001343454718 851378786 /nfs/dbraw/zinc/37/87/86/851378786.db2.gz WWSNOXYBSZXRNT-DOTOQJQBSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001343454719 851378156 /nfs/dbraw/zinc/37/81/56/851378156.db2.gz WWSNOXYBSZXRNT-NVXWUHKLSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001343454720 851378495 /nfs/dbraw/zinc/37/84/95/851378495.db2.gz WWSNOXYBSZXRNT-RDJZCZTQSA-N 2 1 353.511 -0.286 20 0 FBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001343454721 851378727 /nfs/dbraw/zinc/37/87/27/851378727.db2.gz WWSNOXYBSZXRNT-WBVHZDCISA-N 2 1 353.511 -0.286 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001343462538 851381005 /nfs/dbraw/zinc/38/10/05/851381005.db2.gz LOMJUCFZQHMXMM-KGLIPLIRSA-N 2 1 354.495 -0.111 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001343475828 851382863 /nfs/dbraw/zinc/38/28/63/851382863.db2.gz GKHHNSKURZPFCR-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001343475828 851382860 /nfs/dbraw/zinc/38/28/60/851382860.db2.gz GKHHNSKURZPFCR-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001343475828 851382851 /nfs/dbraw/zinc/38/28/51/851382851.db2.gz GKHHNSKURZPFCR-BMFZPTHFSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001343475831 851382807 /nfs/dbraw/zinc/38/28/07/851382807.db2.gz GKHHNSKURZPFCR-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001343475831 851382802 /nfs/dbraw/zinc/38/28/02/851382802.db2.gz GKHHNSKURZPFCR-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001343475831 851382795 /nfs/dbraw/zinc/38/27/95/851382795.db2.gz GKHHNSKURZPFCR-IMJJTQAJSA-N 2 1 352.479 -0.357 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001343495059 851386615 /nfs/dbraw/zinc/38/66/15/851386615.db2.gz UHMKJWWNIPKYRA-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001343495060 851386403 /nfs/dbraw/zinc/38/64/03/851386403.db2.gz UHMKJWWNIPKYRA-XHSDSOJGSA-N 2 1 354.495 -0.110 20 0 FBADMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O)[NH+](C)C ZINC001343499905 851386276 /nfs/dbraw/zinc/38/62/76/851386276.db2.gz AHABLMAHMFXTKW-KFWWJZLASA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001343557267 851399660 /nfs/dbraw/zinc/39/96/60/851399660.db2.gz TXNQPQKTFXLLPG-KGLIPLIRSA-N 2 1 351.451 -0.390 20 0 FBADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001343557267 851399655 /nfs/dbraw/zinc/39/96/55/851399655.db2.gz TXNQPQKTFXLLPG-KGLIPLIRSA-N 2 1 351.451 -0.390 20 0 FBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001343572996 851401582 /nfs/dbraw/zinc/40/15/82/851401582.db2.gz PJJZIQIIVSTUJD-CYBMUJFWSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001343572997 851401232 /nfs/dbraw/zinc/40/12/32/851401232.db2.gz PJJZIQIIVSTUJD-ZDUSSCGKSA-N 2 1 352.435 -0.019 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001343576718 851402209 /nfs/dbraw/zinc/40/22/09/851402209.db2.gz RBBXBZZNWDUOPO-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001343576718 851402196 /nfs/dbraw/zinc/40/21/96/851402196.db2.gz RBBXBZZNWDUOPO-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001343576718 851402189 /nfs/dbraw/zinc/40/21/89/851402189.db2.gz RBBXBZZNWDUOPO-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001343576720 851402650 /nfs/dbraw/zinc/40/26/50/851402650.db2.gz RBBXBZZNWDUOPO-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001343576720 851402645 /nfs/dbraw/zinc/40/26/45/851402645.db2.gz RBBXBZZNWDUOPO-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001343576720 851402643 /nfs/dbraw/zinc/40/26/43/851402643.db2.gz RBBXBZZNWDUOPO-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1(C)C ZINC001343593443 851404583 /nfs/dbraw/zinc/40/45/83/851404583.db2.gz YPAWRIMUHLRLND-JFTQMJAMSA-N 2 1 355.479 -0.139 20 0 FBADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1(C)C ZINC001343593444 851404919 /nfs/dbraw/zinc/40/49/19/851404919.db2.gz YPAWRIMUHLRLND-LBTBCDHLSA-N 2 1 355.479 -0.139 20 0 FBADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1(C)C ZINC001343593445 851404391 /nfs/dbraw/zinc/40/43/91/851404391.db2.gz YPAWRIMUHLRLND-MJSCVDMRSA-N 2 1 355.479 -0.139 20 0 FBADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1(C)C ZINC001343593446 851404532 /nfs/dbraw/zinc/40/45/32/851404532.db2.gz YPAWRIMUHLRLND-ZZCKCESHSA-N 2 1 355.479 -0.139 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001343600876 851404816 /nfs/dbraw/zinc/40/48/16/851404816.db2.gz HDUWKKFQCIYCSB-OAGGEKHMSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001343600877 851404283 /nfs/dbraw/zinc/40/42/83/851404283.db2.gz HDUWKKFQCIYCSB-PMPSAXMXSA-N 2 1 354.495 -0.110 20 0 FBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1O ZINC001343605064 851405679 /nfs/dbraw/zinc/40/56/79/851405679.db2.gz HBUUZBRZXSSZGZ-CVEARBPZSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001343606089 851407420 /nfs/dbraw/zinc/40/74/20/851407420.db2.gz UYWMEENONIEVQZ-CABCVRRESA-N 2 1 352.479 -0.498 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001343616264 851408427 /nfs/dbraw/zinc/40/84/27/851408427.db2.gz CKDSWUSVBOQBDU-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624820 851410307 /nfs/dbraw/zinc/41/03/07/851410307.db2.gz NXPNROBGQAUMIK-CXAGYDPISA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624820 851410298 /nfs/dbraw/zinc/41/02/98/851410298.db2.gz NXPNROBGQAUMIK-CXAGYDPISA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624824 851410364 /nfs/dbraw/zinc/41/03/64/851410364.db2.gz NXPNROBGQAUMIK-DYVFJYSZSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624824 851410354 /nfs/dbraw/zinc/41/03/54/851410354.db2.gz NXPNROBGQAUMIK-DYVFJYSZSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624825 851410624 /nfs/dbraw/zinc/41/06/24/851410624.db2.gz NXPNROBGQAUMIK-GUYCJALGSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624825 851410609 /nfs/dbraw/zinc/41/06/09/851410609.db2.gz NXPNROBGQAUMIK-GUYCJALGSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624829 851411042 /nfs/dbraw/zinc/41/10/42/851411042.db2.gz NXPNROBGQAUMIK-SUMWQHHRSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624829 851411035 /nfs/dbraw/zinc/41/10/35/851411035.db2.gz NXPNROBGQAUMIK-SUMWQHHRSA-N 2 1 352.435 -0.019 20 0 FBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001343651190 851415170 /nfs/dbraw/zinc/41/51/70/851415170.db2.gz YCSJJELNZUTLQP-OAGGEKHMSA-N 2 1 354.495 -0.252 20 0 FBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001343651191 851415229 /nfs/dbraw/zinc/41/52/29/851415229.db2.gz YCSJJELNZUTLQP-XHSDSOJGSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001343655947 851416594 /nfs/dbraw/zinc/41/65/94/851416594.db2.gz ZWUOYWUDEGCMEO-JONQDZQNSA-N 2 1 354.495 -0.254 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001343662782 851416342 /nfs/dbraw/zinc/41/63/42/851416342.db2.gz PYURRETYKQYGNH-CVEARBPZSA-N 2 1 354.495 -0.252 20 0 FBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CC[N@H+]1C ZINC001343674993 851418625 /nfs/dbraw/zinc/41/86/25/851418625.db2.gz SBNRXSFZSLSDRD-JJXSEGSLSA-N 2 1 354.495 -0.254 20 0 FBADMP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001343704744 851422939 /nfs/dbraw/zinc/42/29/39/851422939.db2.gz FOVLIHJIUPQVRY-HLLBOEOZSA-N 2 1 354.495 -0.255 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1C[NH2+]CC12CC2 ZINC001343733628 851428049 /nfs/dbraw/zinc/42/80/49/851428049.db2.gz WLRAWNHAVHLNQP-CABCVRRESA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1C[NH2+]CC12CC2 ZINC001343733629 851427984 /nfs/dbraw/zinc/42/79/84/851427984.db2.gz WLRAWNHAVHLNQP-GJZGRUSLSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001343733630 851427931 /nfs/dbraw/zinc/42/79/31/851427931.db2.gz WLRAWNHAVHLNQP-HUUCEWRRSA-N 2 1 350.463 -0.432 20 0 FBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001343733631 851427828 /nfs/dbraw/zinc/42/78/28/851427828.db2.gz WLRAWNHAVHLNQP-LSDHHAIUSA-N 2 1 350.463 -0.432 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001343824519 851441295 /nfs/dbraw/zinc/44/12/95/851441295.db2.gz AONRNUJTAQAJOF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001343824519 851441278 /nfs/dbraw/zinc/44/12/78/851441278.db2.gz AONRNUJTAQAJOF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001343824519 851441269 /nfs/dbraw/zinc/44/12/69/851441269.db2.gz AONRNUJTAQAJOF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001343824519 851441259 /nfs/dbraw/zinc/44/12/59/851441259.db2.gz AONRNUJTAQAJOF-BZUAXINKSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001343824521 851440671 /nfs/dbraw/zinc/44/06/71/851440671.db2.gz AONRNUJTAQAJOF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001343824521 851440662 /nfs/dbraw/zinc/44/06/62/851440662.db2.gz AONRNUJTAQAJOF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001343824521 851440659 /nfs/dbraw/zinc/44/06/59/851440659.db2.gz AONRNUJTAQAJOF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001343824521 851440652 /nfs/dbraw/zinc/44/06/52/851440652.db2.gz AONRNUJTAQAJOF-OAGGEKHMSA-N 2 1 352.479 -0.282 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001343971288 851457671 /nfs/dbraw/zinc/45/76/71/851457671.db2.gz CEYCQTIWRVWLLR-HZPDHXFCSA-N 2 1 352.479 -0.280 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001344163312 851471286 /nfs/dbraw/zinc/47/12/86/851471286.db2.gz KLTSDZFEIJSJTF-BZUAXINKSA-N 2 1 354.495 -0.036 20 0 FBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001344163313 851471207 /nfs/dbraw/zinc/47/12/07/851471207.db2.gz KLTSDZFEIJSJTF-OWCLPIDISA-N 2 1 354.495 -0.036 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001344771314 851522318 /nfs/dbraw/zinc/52/23/18/851522318.db2.gz ZHHIOTZNOSEYKU-CVEARBPZSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001344771315 851521557 /nfs/dbraw/zinc/52/15/57/851521557.db2.gz ZHHIOTZNOSEYKU-HOTGVXAUSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001344771316 851521963 /nfs/dbraw/zinc/52/19/63/851521963.db2.gz ZHHIOTZNOSEYKU-HZPDHXFCSA-N 2 1 354.495 -0.131 20 0 FBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001344771317 851521861 /nfs/dbraw/zinc/52/18/61/851521861.db2.gz ZHHIOTZNOSEYKU-JKSUJKDBSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001344774770 851522089 /nfs/dbraw/zinc/52/20/89/851522089.db2.gz QRVWNPZLVDEAHG-CVEARBPZSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001344774778 851522136 /nfs/dbraw/zinc/52/21/36/851522136.db2.gz QRVWNPZLVDEAHG-HOTGVXAUSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001344774780 851522373 /nfs/dbraw/zinc/52/23/73/851522373.db2.gz QRVWNPZLVDEAHG-HZPDHXFCSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC001344774782 851521798 /nfs/dbraw/zinc/52/17/98/851521798.db2.gz QRVWNPZLVDEAHG-JKSUJKDBSA-N 2 1 353.511 -0.604 20 0 FBADMP C[C@@]1(C(=O)N2CC[NH2+]CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860576 851532700 /nfs/dbraw/zinc/53/27/00/851532700.db2.gz FLUDZBKDLMRFIQ-HDICACEKSA-N 3 1 351.495 -0.754 20 0 FBADMP C[C@@]1(C(=O)N2CC[NH2+]CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860577 851533284 /nfs/dbraw/zinc/53/32/84/851533284.db2.gz FLUDZBKDLMRFIQ-QZTJIDSGSA-N 3 1 351.495 -0.754 20 0 FBADMP C[C@]1(C(=O)N2CC[NH2+]CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860578 851533333 /nfs/dbraw/zinc/53/33/33/851533333.db2.gz FLUDZBKDLMRFIQ-ROUUACIJSA-N 3 1 351.495 -0.754 20 0 FBADMP C[NH2+]C1CC(C(=O)N2CC[NH2+]CCN(C(=O)C3CC([NH2+]C)C3)CC2)C1 ZINC001344861685 851533163 /nfs/dbraw/zinc/53/31/63/851533163.db2.gz VXLGQASVOLQHGY-UHFFFAOYSA-N 3 1 351.495 -0.757 20 0 FBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929601 851539287 /nfs/dbraw/zinc/53/92/87/851539287.db2.gz BUTKLPZMHVPBPM-HNNXBMFYSA-N 2 1 352.479 -0.185 20 0 FBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929603 851539397 /nfs/dbraw/zinc/53/93/97/851539397.db2.gz BUTKLPZMHVPBPM-OAHLLOKOSA-N 2 1 352.479 -0.185 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001345115118 851558979 /nfs/dbraw/zinc/55/89/79/851558979.db2.gz APCZHPFHOCITSY-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001345115119 851559000 /nfs/dbraw/zinc/55/90/00/851559000.db2.gz APCZHPFHOCITSY-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001345470605 851596784 /nfs/dbraw/zinc/59/67/84/851596784.db2.gz UKBHUGUZAMJATF-HNNXBMFYSA-N 2 1 351.495 -0.565 20 0 FBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001345470607 851597381 /nfs/dbraw/zinc/59/73/81/851597381.db2.gz UKBHUGUZAMJATF-OAHLLOKOSA-N 2 1 351.495 -0.565 20 0 FBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001345491727 851599580 /nfs/dbraw/zinc/59/95/80/851599580.db2.gz AFYQKGHTFRYXBS-CVEARBPZSA-N 2 1 352.479 -0.090 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001345801342 851627306 /nfs/dbraw/zinc/62/73/06/851627306.db2.gz GWUXTEGIGOSRDX-GDBMZVCRSA-N 2 1 352.479 -0.234 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001345801345 851627082 /nfs/dbraw/zinc/62/70/82/851627082.db2.gz GWUXTEGIGOSRDX-GOEBONIOSA-N 2 1 352.479 -0.234 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001345801347 851626850 /nfs/dbraw/zinc/62/68/50/851626850.db2.gz GWUXTEGIGOSRDX-HOCLYGCPSA-N 2 1 352.479 -0.234 20 0 FBADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001345801348 851627354 /nfs/dbraw/zinc/62/73/54/851627354.db2.gz GWUXTEGIGOSRDX-ZBFHGGJFSA-N 2 1 352.479 -0.234 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001345832411 851629907 /nfs/dbraw/zinc/62/99/07/851629907.db2.gz OSOJCAKOQWZTEL-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001345832411 851629901 /nfs/dbraw/zinc/62/99/01/851629901.db2.gz OSOJCAKOQWZTEL-RKVPGOIHSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001345832413 851629924 /nfs/dbraw/zinc/62/99/24/851629924.db2.gz OSOJCAKOQWZTEL-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001345832413 851629919 /nfs/dbraw/zinc/62/99/19/851629919.db2.gz OSOJCAKOQWZTEL-VKJFTORMSA-N 2 1 352.479 -0.424 20 0 FBADMP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001345881150 851636806 /nfs/dbraw/zinc/63/68/06/851636806.db2.gz CXXBZMHNCCMPCZ-INIZCTEOSA-N 2 1 354.543 -0.053 20 0 FBADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001345881151 851636489 /nfs/dbraw/zinc/63/64/89/851636489.db2.gz CXXBZMHNCCMPCZ-MRXNPFEDSA-N 2 1 354.543 -0.053 20 0 FBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957401 851643328 /nfs/dbraw/zinc/64/33/28/851643328.db2.gz BQTAJRGOGIHJMG-INIZCTEOSA-N 2 1 355.527 -0.167 20 0 FBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957416 851643483 /nfs/dbraw/zinc/64/34/83/851643483.db2.gz BQTAJRGOGIHJMG-MRXNPFEDSA-N 2 1 355.527 -0.167 20 0 FBADMP CS(=O)(=O)C1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]CC1 ZINC001346104479 851657602 /nfs/dbraw/zinc/65/76/02/851657602.db2.gz VRNBIGDJSQIGOH-UHFFFAOYSA-N 2 1 373.519 -0.086 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346140353 851661738 /nfs/dbraw/zinc/66/17/38/851661738.db2.gz FSHYBGKPULBHGA-RHSMWYFYSA-N 2 1 352.479 -0.052 20 0 FBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001346140353 851661728 /nfs/dbraw/zinc/66/17/28/851661728.db2.gz FSHYBGKPULBHGA-RHSMWYFYSA-N 2 1 352.479 -0.052 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346140355 851662239 /nfs/dbraw/zinc/66/22/39/851662239.db2.gz FSHYBGKPULBHGA-WMLDXEAASA-N 2 1 352.479 -0.052 20 0 FBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001346140355 851662236 /nfs/dbraw/zinc/66/22/36/851662236.db2.gz FSHYBGKPULBHGA-WMLDXEAASA-N 2 1 352.479 -0.052 20 0 FBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC001346174942 851666522 /nfs/dbraw/zinc/66/65/22/851666522.db2.gz RYLNYYJFUDHGGL-GHMZBOCLSA-N 2 1 351.373 -0.319 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001346217190 851671453 /nfs/dbraw/zinc/67/14/53/851671453.db2.gz AFNSADYARWZQDB-SOLBZPMBSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001346217190 851671452 /nfs/dbraw/zinc/67/14/52/851671452.db2.gz AFNSADYARWZQDB-SOLBZPMBSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001346217190 851671451 /nfs/dbraw/zinc/67/14/51/851671451.db2.gz AFNSADYARWZQDB-SOLBZPMBSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001346217201 851671494 /nfs/dbraw/zinc/67/14/94/851671494.db2.gz AFNSADYARWZQDB-XYJFISCASA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001346217201 851671493 /nfs/dbraw/zinc/67/14/93/851671493.db2.gz AFNSADYARWZQDB-XYJFISCASA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001346217201 851671492 /nfs/dbraw/zinc/67/14/92/851671492.db2.gz AFNSADYARWZQDB-XYJFISCASA-N 2 1 352.479 -0.004 20 0 FBADMP COCC[NH+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001346245392 851673848 /nfs/dbraw/zinc/67/38/48/851673848.db2.gz DFHHEHDQWTYYQW-DOTOQJQBSA-N 2 1 358.483 -0.520 20 0 FBADMP COCC[NH+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001346245392 851673843 /nfs/dbraw/zinc/67/38/43/851673843.db2.gz DFHHEHDQWTYYQW-DOTOQJQBSA-N 2 1 358.483 -0.520 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001346245392 851673840 /nfs/dbraw/zinc/67/38/40/851673840.db2.gz DFHHEHDQWTYYQW-DOTOQJQBSA-N 2 1 358.483 -0.520 20 0 FBADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001346276678 851677954 /nfs/dbraw/zinc/67/79/54/851677954.db2.gz KKQFASKATQPASA-CABCVRRESA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001346276679 851678267 /nfs/dbraw/zinc/67/82/67/851678267.db2.gz KKQFASKATQPASA-GJZGRUSLSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001346276680 851677869 /nfs/dbraw/zinc/67/78/69/851677869.db2.gz KKQFASKATQPASA-HUUCEWRRSA-N 2 1 354.495 -0.110 20 0 FBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001346276681 851678351 /nfs/dbraw/zinc/67/83/51/851678351.db2.gz KKQFASKATQPASA-LSDHHAIUSA-N 2 1 354.495 -0.110 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001346283680 851679357 /nfs/dbraw/zinc/67/93/57/851679357.db2.gz WAPZRFDKGNQZTF-AWEZNQCLSA-N 2 1 352.479 -0.186 20 0 FBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001346283683 851679059 /nfs/dbraw/zinc/67/90/59/851679059.db2.gz WAPZRFDKGNQZTF-CQSZACIVSA-N 2 1 352.479 -0.186 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001346327589 851684736 /nfs/dbraw/zinc/68/47/36/851684736.db2.gz ZRDIFKKAOAFYEX-BQFCYCMXSA-N 2 1 351.495 -0.166 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001346327592 851684719 /nfs/dbraw/zinc/68/47/19/851684719.db2.gz ZRDIFKKAOAFYEX-JZXOWHBKSA-N 2 1 351.495 -0.166 20 0 FBADMP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346374301 851690281 /nfs/dbraw/zinc/69/02/81/851690281.db2.gz OJISLWDBWWSDKB-DOTOQJQBSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346374302 851690471 /nfs/dbraw/zinc/69/04/71/851690471.db2.gz OJISLWDBWWSDKB-NVXWUHKLSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346374303 851690346 /nfs/dbraw/zinc/69/03/46/851690346.db2.gz OJISLWDBWWSDKB-RDJZCZTQSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346374304 851690488 /nfs/dbraw/zinc/69/04/88/851690488.db2.gz OJISLWDBWWSDKB-WBVHZDCISA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388168 851691289 /nfs/dbraw/zinc/69/12/89/851691289.db2.gz ASBGQJNIZVDPJT-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388168 851691285 /nfs/dbraw/zinc/69/12/85/851691285.db2.gz ASBGQJNIZVDPJT-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388168 851691282 /nfs/dbraw/zinc/69/12/82/851691282.db2.gz ASBGQJNIZVDPJT-BZUAXINKSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388169 851691412 /nfs/dbraw/zinc/69/14/12/851691412.db2.gz ASBGQJNIZVDPJT-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388169 851691408 /nfs/dbraw/zinc/69/14/08/851691408.db2.gz ASBGQJNIZVDPJT-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388169 851691405 /nfs/dbraw/zinc/69/14/05/851691405.db2.gz ASBGQJNIZVDPJT-OAGGEKHMSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001346388171 851691346 /nfs/dbraw/zinc/69/13/46/851691346.db2.gz ASBGQJNIZVDPJT-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001346388171 851691340 /nfs/dbraw/zinc/69/13/40/851691340.db2.gz ASBGQJNIZVDPJT-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001346388171 851691334 /nfs/dbraw/zinc/69/13/34/851691334.db2.gz ASBGQJNIZVDPJT-OWCLPIDISA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001346388173 851691132 /nfs/dbraw/zinc/69/11/32/851691132.db2.gz ASBGQJNIZVDPJT-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001346388173 851691126 /nfs/dbraw/zinc/69/11/26/851691126.db2.gz ASBGQJNIZVDPJT-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001346388173 851691120 /nfs/dbraw/zinc/69/11/20/851691120.db2.gz ASBGQJNIZVDPJT-PMPSAXMXSA-N 2 1 351.495 -0.566 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001346441364 851696344 /nfs/dbraw/zinc/69/63/44/851696344.db2.gz PJNONLAZTZACSN-AWEZNQCLSA-N 2 1 354.451 -0.307 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001346441367 851696642 /nfs/dbraw/zinc/69/66/42/851696642.db2.gz PJNONLAZTZACSN-CQSZACIVSA-N 2 1 354.451 -0.307 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001346714165 851718855 /nfs/dbraw/zinc/71/88/55/851718855.db2.gz YXBWKQMKGAEJDZ-CYBMUJFWSA-N 2 1 359.496 -0.901 20 0 FBADMP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001346714165 851718845 /nfs/dbraw/zinc/71/88/45/851718845.db2.gz YXBWKQMKGAEJDZ-CYBMUJFWSA-N 2 1 359.496 -0.901 20 0 FBADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001346714173 851719078 /nfs/dbraw/zinc/71/90/78/851719078.db2.gz YXBWKQMKGAEJDZ-ZDUSSCGKSA-N 2 1 359.496 -0.901 20 0 FBADMP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001346714173 851719071 /nfs/dbraw/zinc/71/90/71/851719071.db2.gz YXBWKQMKGAEJDZ-ZDUSSCGKSA-N 2 1 359.496 -0.901 20 0 FBADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346765691 851721901 /nfs/dbraw/zinc/72/19/01/851721901.db2.gz BZKWNIZMZNXINZ-CABCVRRESA-N 2 1 354.499 -0.964 20 0 FBADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346765715 851721791 /nfs/dbraw/zinc/72/17/91/851721791.db2.gz BZKWNIZMZNXINZ-GJZGRUSLSA-N 2 1 354.499 -0.964 20 0 FBADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346765717 851721675 /nfs/dbraw/zinc/72/16/75/851721675.db2.gz BZKWNIZMZNXINZ-HUUCEWRRSA-N 2 1 354.499 -0.964 20 0 FBADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346765719 851721844 /nfs/dbraw/zinc/72/18/44/851721844.db2.gz BZKWNIZMZNXINZ-LSDHHAIUSA-N 2 1 354.499 -0.964 20 0 FBADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346776840 851723355 /nfs/dbraw/zinc/72/33/55/851723355.db2.gz AQIBNXHWFLRKHP-BBWFWOEESA-N 2 1 353.511 -0.016 20 0 FBADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346776842 851723186 /nfs/dbraw/zinc/72/31/86/851723186.db2.gz AQIBNXHWFLRKHP-GVDBMIGSSA-N 2 1 353.511 -0.016 20 0 FBADMP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346776845 851723367 /nfs/dbraw/zinc/72/33/67/851723367.db2.gz AQIBNXHWFLRKHP-ULQDDVLXSA-N 2 1 353.511 -0.016 20 0 FBADMP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346776847 851722975 /nfs/dbraw/zinc/72/29/75/851722975.db2.gz AQIBNXHWFLRKHP-YESZJQIVSA-N 2 1 353.511 -0.016 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001346788346 851726059 /nfs/dbraw/zinc/72/60/59/851726059.db2.gz SDABSLXGGOYMJV-INIZCTEOSA-N 2 1 354.495 -0.250 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001346788348 851725642 /nfs/dbraw/zinc/72/56/42/851725642.db2.gz SDABSLXGGOYMJV-MRXNPFEDSA-N 2 1 354.495 -0.250 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001346904493 851734191 /nfs/dbraw/zinc/73/41/91/851734191.db2.gz LOJRUUNNMSKMOE-UHFFFAOYSA-N 3 1 353.511 -0.509 20 0 FBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001346904493 851734186 /nfs/dbraw/zinc/73/41/86/851734186.db2.gz LOJRUUNNMSKMOE-UHFFFAOYSA-N 3 1 353.511 -0.509 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009653 851744419 /nfs/dbraw/zinc/74/44/19/851744419.db2.gz OTYAPWVYQFCXAV-CVEARBPZSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009654 851744665 /nfs/dbraw/zinc/74/46/65/851744665.db2.gz OTYAPWVYQFCXAV-HOTGVXAUSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009655 851744526 /nfs/dbraw/zinc/74/45/26/851744526.db2.gz OTYAPWVYQFCXAV-HZPDHXFCSA-N 2 1 351.495 -0.517 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009656 851744336 /nfs/dbraw/zinc/74/43/36/851744336.db2.gz OTYAPWVYQFCXAV-JKSUJKDBSA-N 2 1 351.495 -0.517 20 0 FBADMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001347035814 851747747 /nfs/dbraw/zinc/74/77/47/851747747.db2.gz XXUJTKXXEYLFTN-FZKCQIBNSA-N 2 1 352.479 -0.236 20 0 FBADMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001347035817 851747904 /nfs/dbraw/zinc/74/79/04/851747904.db2.gz XXUJTKXXEYLFTN-WCVJEAGWSA-N 2 1 352.479 -0.236 20 0 FBADMP C[N@@H+](CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC001347063578 851751921 /nfs/dbraw/zinc/75/19/21/851751921.db2.gz RLILNVNABDMOGL-UHFFFAOYSA-N 2 1 350.423 -0.752 20 0 FBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001347073960 851752836 /nfs/dbraw/zinc/75/28/36/851752836.db2.gz OTXWKXNISWSPFL-RBSFLKMASA-N 2 1 352.479 -0.140 20 0 FBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001347073961 851752786 /nfs/dbraw/zinc/75/27/86/851752786.db2.gz OTXWKXNISWSPFL-RRFJBIMHSA-N 2 1 352.479 -0.140 20 0 FBADMP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001347187800 851768170 /nfs/dbraw/zinc/76/81/70/851768170.db2.gz RTFNQCRZWXLASS-KKUMJFAQSA-N 2 1 354.499 -0.618 20 0 FBADMP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001347187801 851767907 /nfs/dbraw/zinc/76/79/07/851767907.db2.gz RTFNQCRZWXLASS-RRFJBIMHSA-N 2 1 354.499 -0.618 20 0 FBADMP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001347187802 851767816 /nfs/dbraw/zinc/76/78/16/851767816.db2.gz RTFNQCRZWXLASS-SOUVJXGZSA-N 2 1 354.499 -0.618 20 0 FBADMP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001347187803 851767863 /nfs/dbraw/zinc/76/78/63/851767863.db2.gz RTFNQCRZWXLASS-ZNMIVQPWSA-N 2 1 354.499 -0.618 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC001347236885 851772857 /nfs/dbraw/zinc/77/28/57/851772857.db2.gz DBPGADAQAJFRQE-AWEZNQCLSA-N 2 1 351.451 -0.633 20 0 FBADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC001347236886 851772473 /nfs/dbraw/zinc/77/24/73/851772473.db2.gz DBPGADAQAJFRQE-CQSZACIVSA-N 2 1 351.451 -0.633 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001347374089 851786980 /nfs/dbraw/zinc/78/69/80/851786980.db2.gz JDTYFRXJXKRBFL-HLLBOEOZSA-N 2 1 356.467 -0.768 20 0 FBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001347374089 851786972 /nfs/dbraw/zinc/78/69/72/851786972.db2.gz JDTYFRXJXKRBFL-HLLBOEOZSA-N 2 1 356.467 -0.768 20 0 FBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001347374089 851786968 /nfs/dbraw/zinc/78/69/68/851786968.db2.gz JDTYFRXJXKRBFL-HLLBOEOZSA-N 2 1 356.467 -0.768 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001347374093 851786654 /nfs/dbraw/zinc/78/66/54/851786654.db2.gz JDTYFRXJXKRBFL-YQQAZPJKSA-N 2 1 356.467 -0.768 20 0 FBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001347374093 851786642 /nfs/dbraw/zinc/78/66/42/851786642.db2.gz JDTYFRXJXKRBFL-YQQAZPJKSA-N 2 1 356.467 -0.768 20 0 FBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001347374093 851786632 /nfs/dbraw/zinc/78/66/32/851786632.db2.gz JDTYFRXJXKRBFL-YQQAZPJKSA-N 2 1 356.467 -0.768 20 0 FBADMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001347469498 851794919 /nfs/dbraw/zinc/79/49/19/851794919.db2.gz GGSHRVJSWXMJGX-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001347469498 851794914 /nfs/dbraw/zinc/79/49/14/851794914.db2.gz GGSHRVJSWXMJGX-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001347469498 851794910 /nfs/dbraw/zinc/79/49/10/851794910.db2.gz GGSHRVJSWXMJGX-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001347469498 851794906 /nfs/dbraw/zinc/79/49/06/851794906.db2.gz GGSHRVJSWXMJGX-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001347469499 851795088 /nfs/dbraw/zinc/79/50/88/851795088.db2.gz GGSHRVJSWXMJGX-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001347469499 851795083 /nfs/dbraw/zinc/79/50/83/851795083.db2.gz GGSHRVJSWXMJGX-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001347469499 851795077 /nfs/dbraw/zinc/79/50/77/851795077.db2.gz GGSHRVJSWXMJGX-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001347469499 851795074 /nfs/dbraw/zinc/79/50/74/851795074.db2.gz GGSHRVJSWXMJGX-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001347469597 851795119 /nfs/dbraw/zinc/79/51/19/851795119.db2.gz JOFBJPQYTHAMSK-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001347469597 851795111 /nfs/dbraw/zinc/79/51/11/851795111.db2.gz JOFBJPQYTHAMSK-LVQVYYBASA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001347469598 851795280 /nfs/dbraw/zinc/79/52/80/851795280.db2.gz JOFBJPQYTHAMSK-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001347469598 851795276 /nfs/dbraw/zinc/79/52/76/851795276.db2.gz JOFBJPQYTHAMSK-WCVJEAGWSA-N 2 1 352.479 -0.093 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609943 851808538 /nfs/dbraw/zinc/80/85/38/851808538.db2.gz YZPZGYXZTATUND-BRWVUGGUSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609944 851808423 /nfs/dbraw/zinc/80/84/23/851808423.db2.gz YZPZGYXZTATUND-IKGGRYGDSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609946 851808247 /nfs/dbraw/zinc/80/82/47/851808247.db2.gz YZPZGYXZTATUND-IXDOHACOSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609948 851808672 /nfs/dbraw/zinc/80/86/72/851808672.db2.gz YZPZGYXZTATUND-ZACQAIPSSA-N 2 1 353.511 -0.137 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001347618018 851810338 /nfs/dbraw/zinc/81/03/38/851810338.db2.gz RDUCRYWCCBELJW-DOTOQJQBSA-N 2 1 356.467 -0.766 20 0 FBADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001347618018 851810329 /nfs/dbraw/zinc/81/03/29/851810329.db2.gz RDUCRYWCCBELJW-DOTOQJQBSA-N 2 1 356.467 -0.766 20 0 FBADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001347618018 851810321 /nfs/dbraw/zinc/81/03/21/851810321.db2.gz RDUCRYWCCBELJW-DOTOQJQBSA-N 2 1 356.467 -0.766 20 0 FBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001347808220 851826953 /nfs/dbraw/zinc/82/69/53/851826953.db2.gz BUUYPEQYDNFVFJ-OAGGEKHMSA-N 2 1 352.479 -0.092 20 0 FBADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001347874352 851829855 /nfs/dbraw/zinc/82/98/55/851829855.db2.gz KSVRHGNFTJODIN-AWEZNQCLSA-N 2 1 356.467 -0.420 20 0 FBADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001347874352 851829851 /nfs/dbraw/zinc/82/98/51/851829851.db2.gz KSVRHGNFTJODIN-AWEZNQCLSA-N 2 1 356.467 -0.420 20 0 FBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001347874352 851829844 /nfs/dbraw/zinc/82/98/44/851829844.db2.gz KSVRHGNFTJODIN-AWEZNQCLSA-N 2 1 356.467 -0.420 20 0 FBADMP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001347874352 851829836 /nfs/dbraw/zinc/82/98/36/851829836.db2.gz KSVRHGNFTJODIN-AWEZNQCLSA-N 2 1 356.467 -0.420 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001348079846 851841375 /nfs/dbraw/zinc/84/13/75/851841375.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001348079846 851841371 /nfs/dbraw/zinc/84/13/71/851841371.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001348079846 851841363 /nfs/dbraw/zinc/84/13/63/851841363.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001348079848 851841806 /nfs/dbraw/zinc/84/18/06/851841806.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001348079848 851841797 /nfs/dbraw/zinc/84/17/97/851841797.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001348079848 851841790 /nfs/dbraw/zinc/84/17/90/851841790.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001348079921 851841290 /nfs/dbraw/zinc/84/12/90/851841290.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001348079921 851841287 /nfs/dbraw/zinc/84/12/87/851841287.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001348079921 851841283 /nfs/dbraw/zinc/84/12/83/851841283.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001348079923 851841628 /nfs/dbraw/zinc/84/16/28/851841628.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001348079923 851841620 /nfs/dbraw/zinc/84/16/20/851841620.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001348079923 851841614 /nfs/dbraw/zinc/84/16/14/851841614.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 2 1 354.543 -0.054 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)NCC[NH+](C)C ZINC001348173152 851847190 /nfs/dbraw/zinc/84/71/90/851847190.db2.gz JXCUGTUGJFSPJO-HRCADAONSA-N 2 1 353.511 -0.417 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)NCC[NH+](C)C ZINC001348173163 851846971 /nfs/dbraw/zinc/84/69/71/851846971.db2.gz JXCUGTUGJFSPJO-JYJNAYRXSA-N 2 1 353.511 -0.417 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)C(=O)NCC[NH+](C)C ZINC001348173165 851847025 /nfs/dbraw/zinc/84/70/25/851847025.db2.gz JXCUGTUGJFSPJO-OWCLPIDISA-N 2 1 353.511 -0.417 20 0 FBADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)C(=O)NCC[NH+](C)C ZINC001348173167 851847438 /nfs/dbraw/zinc/84/74/38/851847438.db2.gz JXCUGTUGJFSPJO-PMPSAXMXSA-N 2 1 353.511 -0.417 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001348202833 851849835 /nfs/dbraw/zinc/84/98/35/851849835.db2.gz DZZFXSXWHRZYDD-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001348202833 851849822 /nfs/dbraw/zinc/84/98/22/851849822.db2.gz DZZFXSXWHRZYDD-HNNXBMFYSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001348202837 851849560 /nfs/dbraw/zinc/84/95/60/851849560.db2.gz DZZFXSXWHRZYDD-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001348202837 851849554 /nfs/dbraw/zinc/84/95/54/851849554.db2.gz DZZFXSXWHRZYDD-OAHLLOKOSA-N 2 1 352.479 -0.402 20 0 FBADMP CC[NH+]1CCN(CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001348223727 851851997 /nfs/dbraw/zinc/85/19/97/851851997.db2.gz HDMVZJUAHFJDCT-FUHWJXTLSA-N 2 1 354.495 -0.644 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348463000 851869839 /nfs/dbraw/zinc/86/98/39/851869839.db2.gz OUJCRNHFEIEFFB-QILLFSRXSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348463000 851869835 /nfs/dbraw/zinc/86/98/35/851869835.db2.gz OUJCRNHFEIEFFB-QILLFSRXSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348463000 851869832 /nfs/dbraw/zinc/86/98/32/851869832.db2.gz OUJCRNHFEIEFFB-QILLFSRXSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348463001 851869327 /nfs/dbraw/zinc/86/93/27/851869327.db2.gz OUJCRNHFEIEFFB-UWWQBHOKSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348463001 851869316 /nfs/dbraw/zinc/86/93/16/851869316.db2.gz OUJCRNHFEIEFFB-UWWQBHOKSA-N 2 1 352.479 -0.004 20 0 FBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348463001 851869310 /nfs/dbraw/zinc/86/93/10/851869310.db2.gz OUJCRNHFEIEFFB-UWWQBHOKSA-N 2 1 352.479 -0.004 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCO1 ZINC001348506574 851870644 /nfs/dbraw/zinc/87/06/44/851870644.db2.gz MNYKUPMFWNZSLQ-HLLBOEOZSA-N 2 1 356.467 -0.768 20 0 FBADMP C[C@@H]1CN(CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCO1 ZINC001348506574 851870641 /nfs/dbraw/zinc/87/06/41/851870641.db2.gz MNYKUPMFWNZSLQ-HLLBOEOZSA-N 2 1 356.467 -0.768 20 0 FBADMP C[C@H]1CN(CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCO1 ZINC001348506575 851870674 /nfs/dbraw/zinc/87/06/74/851870674.db2.gz MNYKUPMFWNZSLQ-YQQAZPJKSA-N 2 1 356.467 -0.768 20 0 FBADMP C[C@H]1CN(CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCO1 ZINC001348506575 851870671 /nfs/dbraw/zinc/87/06/71/851870671.db2.gz MNYKUPMFWNZSLQ-YQQAZPJKSA-N 2 1 356.467 -0.768 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001348782747 851887044 /nfs/dbraw/zinc/88/70/44/851887044.db2.gz BHAKVTYUVBDKNS-CVEARBPZSA-N 2 1 351.495 -0.613 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001348782748 851887094 /nfs/dbraw/zinc/88/70/94/851887094.db2.gz BHAKVTYUVBDKNS-HOTGVXAUSA-N 2 1 351.495 -0.613 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001348782749 851886667 /nfs/dbraw/zinc/88/66/67/851886667.db2.gz BHAKVTYUVBDKNS-HZPDHXFCSA-N 2 1 351.495 -0.613 20 0 FBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001348782750 851886926 /nfs/dbraw/zinc/88/69/26/851886926.db2.gz BHAKVTYUVBDKNS-JKSUJKDBSA-N 2 1 351.495 -0.613 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCOCC1 ZINC001349064203 851903341 /nfs/dbraw/zinc/90/33/41/851903341.db2.gz FPCNLQXMBIYLCO-UHFFFAOYSA-N 2 1 356.467 -0.155 20 0 FBADMP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCOCC1 ZINC001349064203 851903335 /nfs/dbraw/zinc/90/33/35/851903335.db2.gz FPCNLQXMBIYLCO-UHFFFAOYSA-N 2 1 356.467 -0.155 20 0 FBADMP CC1(C)CN(C(=O)NCCN2CCC3(C2)OCCO3)CCN1CCO ZINC001349065133 851903446 /nfs/dbraw/zinc/90/34/46/851903446.db2.gz NCVVHTSYPVBCMK-UHFFFAOYSA-N 2 1 356.467 -0.467 20 0 FBADMP CC1(C)CN(C(=O)NCCN2CCC3(C2)OCCO3)CC[N@H+]1CCO ZINC001349065133 851903443 /nfs/dbraw/zinc/90/34/43/851903443.db2.gz NCVVHTSYPVBCMK-UHFFFAOYSA-N 2 1 356.467 -0.467 20 0 FBADMP O=C(NCCN1CCC2(C1)OCCO2)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001349067293 851903284 /nfs/dbraw/zinc/90/32/84/851903284.db2.gz WESNUJCWMASMPQ-HNNXBMFYSA-N 2 1 356.467 -0.419 20 0 FBADMP O=C(NCCN1CCC2(C1)OCCO2)NC[C@H]1CCCC[N@@H+]1CCO ZINC001349067294 851903519 /nfs/dbraw/zinc/90/35/19/851903519.db2.gz WESNUJCWMASMPQ-OAHLLOKOSA-N 2 1 356.467 -0.419 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001349582701 851939679 /nfs/dbraw/zinc/93/96/79/851939679.db2.gz YXKKKYVUIQJWEJ-BBWFWOEESA-N 2 1 352.479 -0.105 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001349582705 851939442 /nfs/dbraw/zinc/93/94/42/851939442.db2.gz YXKKKYVUIQJWEJ-GVDBMIGSSA-N 2 1 352.479 -0.105 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001349582710 851939566 /nfs/dbraw/zinc/93/95/66/851939566.db2.gz YXKKKYVUIQJWEJ-ULQDDVLXSA-N 2 1 352.479 -0.105 20 0 FBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001349582713 851939214 /nfs/dbraw/zinc/93/92/14/851939214.db2.gz YXKKKYVUIQJWEJ-YESZJQIVSA-N 2 1 352.479 -0.105 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001349600699 851940672 /nfs/dbraw/zinc/94/06/72/851940672.db2.gz XNNBEEARDLIBLU-DLUDVSRJSA-N 2 1 372.535 -0.454 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001349600702 851940785 /nfs/dbraw/zinc/94/07/85/851940785.db2.gz XNNBEEARDLIBLU-HWRSSNJWSA-N 2 1 372.535 -0.454 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001349600705 851940360 /nfs/dbraw/zinc/94/03/60/851940360.db2.gz XNNBEEARDLIBLU-PWECECGKSA-N 2 1 372.535 -0.454 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001349600707 851940652 /nfs/dbraw/zinc/94/06/52/851940652.db2.gz XNNBEEARDLIBLU-SXBQZSJRSA-N 2 1 372.535 -0.454 20 0 FBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C[NH+]1CCOCC1 ZINC001349626440 851942977 /nfs/dbraw/zinc/94/29/77/851942977.db2.gz LLZUCJVUWZRMLA-MPGHIAIKSA-N 2 1 352.479 -0.342 20 0 FBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C[NH+]1CCOCC1 ZINC001349626442 851942708 /nfs/dbraw/zinc/94/27/08/851942708.db2.gz LLZUCJVUWZRMLA-VKJFTORMSA-N 2 1 352.479 -0.342 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C(N)=O)CCOC3)CC2)CC1 ZINC001349827559 851956532 /nfs/dbraw/zinc/95/65/32/851956532.db2.gz WFQXEUZQWCAAPB-GOSISDBHSA-N 2 1 352.479 -0.057 20 0 FBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C(N)=O)CCOC3)CC2)CC1 ZINC001349827562 851956295 /nfs/dbraw/zinc/95/62/95/851956295.db2.gz WFQXEUZQWCAAPB-SFHVURJKSA-N 2 1 352.479 -0.057 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001349832444 851956071 /nfs/dbraw/zinc/95/60/71/851956071.db2.gz CPOYVHGZUSXVIV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001349832444 851956063 /nfs/dbraw/zinc/95/60/63/851956063.db2.gz CPOYVHGZUSXVIV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001349832444 851956059 /nfs/dbraw/zinc/95/60/59/851956059.db2.gz CPOYVHGZUSXVIV-CVEARBPZSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001349832485 851956385 /nfs/dbraw/zinc/95/63/85/851956385.db2.gz CPOYVHGZUSXVIV-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001349832485 851956383 /nfs/dbraw/zinc/95/63/83/851956383.db2.gz CPOYVHGZUSXVIV-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001349832485 851956377 /nfs/dbraw/zinc/95/63/77/851956377.db2.gz CPOYVHGZUSXVIV-HOTGVXAUSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001349832488 851956205 /nfs/dbraw/zinc/95/62/05/851956205.db2.gz CPOYVHGZUSXVIV-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001349832488 851956203 /nfs/dbraw/zinc/95/62/03/851956203.db2.gz CPOYVHGZUSXVIV-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001349832488 851956198 /nfs/dbraw/zinc/95/61/98/851956198.db2.gz CPOYVHGZUSXVIV-HZPDHXFCSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001349832489 851956478 /nfs/dbraw/zinc/95/64/78/851956478.db2.gz CPOYVHGZUSXVIV-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001349832489 851956474 /nfs/dbraw/zinc/95/64/74/851956474.db2.gz CPOYVHGZUSXVIV-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001349832489 851956470 /nfs/dbraw/zinc/95/64/70/851956470.db2.gz CPOYVHGZUSXVIV-JKSUJKDBSA-N 2 1 354.495 -0.108 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC001349850104 851957208 /nfs/dbraw/zinc/95/72/08/851957208.db2.gz AAVHUFHONNOTBI-FZNQNYSPSA-N 2 1 354.495 -0.252 20 0 FBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349852454 851957134 /nfs/dbraw/zinc/95/71/34/851957134.db2.gz PTQPECFIKJJACY-IYBDPMFKSA-N 2 1 353.511 -0.461 20 0 FBADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)CC[NH2+]CC2 ZINC001349866525 851958634 /nfs/dbraw/zinc/95/86/34/851958634.db2.gz XZLJQEVKNXINIL-QLFBSQMISA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)CC[NH2+]CC2 ZINC001349866526 851958938 /nfs/dbraw/zinc/95/89/38/851958938.db2.gz XZLJQEVKNXINIL-SOUVJXGZSA-N 2 1 350.463 -0.746 20 0 FBADMP C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866741 851958501 /nfs/dbraw/zinc/95/85/01/851958501.db2.gz AHZVYIWWSXYVRL-DOTOQJQBSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866742 851958742 /nfs/dbraw/zinc/95/87/42/851958742.db2.gz AHZVYIWWSXYVRL-NVXWUHKLSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866743 851958811 /nfs/dbraw/zinc/95/88/11/851958811.db2.gz AHZVYIWWSXYVRL-RDJZCZTQSA-N 2 1 353.511 -0.137 20 0 FBADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866744 851958875 /nfs/dbraw/zinc/95/88/75/851958875.db2.gz AHZVYIWWSXYVRL-WBVHZDCISA-N 2 1 353.511 -0.137 20 0 FBADMP COC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891920 851960165 /nfs/dbraw/zinc/96/01/65/851960165.db2.gz AGPHTAFFAJZPSU-AEFFLSMTSA-N 2 1 354.495 -0.475 20 0 FBADMP COC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891924 851959801 /nfs/dbraw/zinc/95/98/01/851959801.db2.gz AGPHTAFFAJZPSU-FUHWJXTLSA-N 2 1 354.495 -0.475 20 0 FBADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891929 851960197 /nfs/dbraw/zinc/96/01/97/851960197.db2.gz AGPHTAFFAJZPSU-SJLPKXTDSA-N 2 1 354.495 -0.475 20 0 FBADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891935 851960410 /nfs/dbraw/zinc/96/04/10/851960410.db2.gz AGPHTAFFAJZPSU-WMZOPIPTSA-N 2 1 354.495 -0.475 20 0 FBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC001350007856 851964039 /nfs/dbraw/zinc/96/40/39/851964039.db2.gz RFZBZZZHSOWVRY-NMWPEEMBSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC001350007856 851964033 /nfs/dbraw/zinc/96/40/33/851964033.db2.gz RFZBZZZHSOWVRY-NMWPEEMBSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC001350007857 851964002 /nfs/dbraw/zinc/96/40/02/851964002.db2.gz RFZBZZZHSOWVRY-TUVASFSCSA-N 2 1 352.479 -0.047 20 0 FBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC001350007858 851963640 /nfs/dbraw/zinc/96/36/40/851963640.db2.gz RFZBZZZHSOWVRY-ZQDZILKHSA-N 2 1 352.479 -0.047 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001350015919 851963724 /nfs/dbraw/zinc/96/37/24/851963724.db2.gz WLDUMDGZNXJFJR-JYJNAYRXSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001350015923 851963691 /nfs/dbraw/zinc/96/36/91/851963691.db2.gz WLDUMDGZNXJFJR-OAGGEKHMSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001350015924 851963506 /nfs/dbraw/zinc/96/35/06/851963506.db2.gz WLDUMDGZNXJFJR-PMPSAXMXSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001350015926 851963865 /nfs/dbraw/zinc/96/38/65/851963865.db2.gz WLDUMDGZNXJFJR-XHSDSOJGSA-N 2 1 353.511 -0.239 20 0 FBADMP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C)CC1 ZINC001350016016 851964062 /nfs/dbraw/zinc/96/40/62/851964062.db2.gz XUGXTZQWWPJBAE-OWCLPIDISA-N 2 1 351.495 -0.663 20 0 FBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C)CC1 ZINC001350016018 851963842 /nfs/dbraw/zinc/96/38/42/851963842.db2.gz XUGXTZQWWPJBAE-XHSDSOJGSA-N 2 1 351.495 -0.663 20 0 FBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001350024790 851964712 /nfs/dbraw/zinc/96/47/12/851964712.db2.gz AEDCZXSFYUNMPP-WKILWMFISA-N 2 1 353.511 -0.236 20 0 FBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001350045529 851965850 /nfs/dbraw/zinc/96/58/50/851965850.db2.gz KRQJEHGLWJDWRS-LXTVHRRPSA-N 2 1 350.463 -0.401 20 0 FBADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(O)(COCCO)CC2)CC1 ZINC001350084915 851967043 /nfs/dbraw/zinc/96/70/43/851967043.db2.gz IVKGVXANGLWPAC-UHFFFAOYSA-N 2 1 357.495 -0.189 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001350249221 851976331 /nfs/dbraw/zinc/97/63/31/851976331.db2.gz LMKVPLCQFQCPII-GDBMZVCRSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001350249222 851976560 /nfs/dbraw/zinc/97/65/60/851976560.db2.gz LMKVPLCQFQCPII-GOEBONIOSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC001350249223 851976701 /nfs/dbraw/zinc/97/67/01/851976701.db2.gz LMKVPLCQFQCPII-HOCLYGCPSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC001350249224 851976632 /nfs/dbraw/zinc/97/66/32/851976632.db2.gz LMKVPLCQFQCPII-ZBFHGGJFSA-N 2 1 352.479 -0.546 20 0 FBADMP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001350816771 852014469 /nfs/dbraw/zinc/01/44/69/852014469.db2.gz VMXBLYXHSAYIFD-DOTOQJQBSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001350816772 852014491 /nfs/dbraw/zinc/01/44/91/852014491.db2.gz VMXBLYXHSAYIFD-NVXWUHKLSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001350816773 852013864 /nfs/dbraw/zinc/01/38/64/852013864.db2.gz VMXBLYXHSAYIFD-RDJZCZTQSA-N 2 1 354.543 -0.054 20 0 FBADMP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001350816774 852014295 /nfs/dbraw/zinc/01/42/95/852014295.db2.gz VMXBLYXHSAYIFD-WBVHZDCISA-N 2 1 354.543 -0.054 20 0 FBADMP CS(=O)(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC001350908930 852020836 /nfs/dbraw/zinc/02/08/36/852020836.db2.gz GSCRJDSWTOLVPN-UHFFFAOYSA-N 2 1 354.476 -0.799 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)C[C@@H]1C ZINC001350920540 852021457 /nfs/dbraw/zinc/02/14/57/852021457.db2.gz IZXAKUIDQRKLJU-FRRDWIJNSA-N 2 1 352.439 -0.154 20 0 FBADMP COCC[N@@H+]1[C@H](C)CN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)C[C@@H]1C ZINC001350920542 852021594 /nfs/dbraw/zinc/02/15/94/852021594.db2.gz IZXAKUIDQRKLJU-XQQFMLRXSA-N 2 1 352.439 -0.154 20 0 FBADMP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001350921001 852021720 /nfs/dbraw/zinc/02/17/20/852021720.db2.gz MOJTXZMOYPZPLI-CHWSQXEVSA-N 2 1 352.439 -0.153 20 0 FBADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001350921003 852021803 /nfs/dbraw/zinc/02/18/03/852021803.db2.gz MOJTXZMOYPZPLI-OLZOCXBDSA-N 2 1 352.439 -0.153 20 0 FBADMP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001350921005 852021818 /nfs/dbraw/zinc/02/18/18/852021818.db2.gz MOJTXZMOYPZPLI-QWHCGFSZSA-N 2 1 352.439 -0.153 20 0 FBADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001350921007 852021697 /nfs/dbraw/zinc/02/16/97/852021697.db2.gz MOJTXZMOYPZPLI-STQMWFEESA-N 2 1 352.439 -0.153 20 0 FBADMP C/C(=C/C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)CN1CCOCC1 ZINC001351016162 852028482 /nfs/dbraw/zinc/02/84/82/852028482.db2.gz RLNBKCMNGYIJNG-BPCJTMIDSA-N 2 1 353.463 -0.393 20 0 FBADMP C/C(=C\C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)CN1CCOCC1 ZINC001351016163 852028437 /nfs/dbraw/zinc/02/84/37/852028437.db2.gz RLNBKCMNGYIJNG-BZLOZJKASA-N 2 1 353.463 -0.393 20 0 FBADMP CS[C@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC001351027176 852029646 /nfs/dbraw/zinc/02/96/46/852029646.db2.gz XQRZRTIPXZAEIU-KBPBESRZSA-N 2 1 355.512 -0.123 20 0 FBADMP CS[C@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC001351027178 852029359 /nfs/dbraw/zinc/02/93/59/852029359.db2.gz XQRZRTIPXZAEIU-KGLIPLIRSA-N 2 1 355.512 -0.123 20 0 FBADMP CS[C@@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC001351027179 852029011 /nfs/dbraw/zinc/02/90/11/852029011.db2.gz XQRZRTIPXZAEIU-UONOGXRCSA-N 2 1 355.512 -0.123 20 0 FBADMP CS[C@@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC001351027181 852029632 /nfs/dbraw/zinc/02/96/32/852029632.db2.gz XQRZRTIPXZAEIU-ZIAGYGMSSA-N 2 1 355.512 -0.123 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188503 852038519 /nfs/dbraw/zinc/03/85/19/852038519.db2.gz SAPZLSVFNKSWDU-GDBMZVCRSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188504 852038570 /nfs/dbraw/zinc/03/85/70/852038570.db2.gz SAPZLSVFNKSWDU-GOEBONIOSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188505 852039012 /nfs/dbraw/zinc/03/90/12/852039012.db2.gz SAPZLSVFNKSWDU-HOCLYGCPSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188506 852039187 /nfs/dbraw/zinc/03/91/87/852039187.db2.gz SAPZLSVFNKSWDU-ZBFHGGJFSA-N 2 1 351.495 -0.566 20 0 FBADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC001351220956 852041830 /nfs/dbraw/zinc/04/18/30/852041830.db2.gz CYQKFFFOOYPRBQ-CABCVRRESA-N 2 1 354.499 -0.739 20 0 FBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC001351220957 852042454 /nfs/dbraw/zinc/04/24/54/852042454.db2.gz CYQKFFFOOYPRBQ-GJZGRUSLSA-N 2 1 354.499 -0.739 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001351387999 852047338 /nfs/dbraw/zinc/04/73/38/852047338.db2.gz OLZLMWBCXKUGDS-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001351387999 852047326 /nfs/dbraw/zinc/04/73/26/852047326.db2.gz OLZLMWBCXKUGDS-KBPBESRZSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001351388001 852047312 /nfs/dbraw/zinc/04/73/12/852047312.db2.gz OLZLMWBCXKUGDS-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001351388001 852047303 /nfs/dbraw/zinc/04/73/03/852047303.db2.gz OLZLMWBCXKUGDS-KGLIPLIRSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001351388003 852047132 /nfs/dbraw/zinc/04/71/32/852047132.db2.gz OLZLMWBCXKUGDS-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001351388003 852047125 /nfs/dbraw/zinc/04/71/25/852047125.db2.gz OLZLMWBCXKUGDS-UONOGXRCSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001351388005 852047491 /nfs/dbraw/zinc/04/74/91/852047491.db2.gz OLZLMWBCXKUGDS-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001351388005 852047475 /nfs/dbraw/zinc/04/74/75/852047475.db2.gz OLZLMWBCXKUGDS-ZIAGYGMSSA-N 2 1 358.508 -0.623 20 0 FBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC1(C)COC1 ZINC001351393600 852047410 /nfs/dbraw/zinc/04/74/10/852047410.db2.gz HYZYNAMZSIYDQX-UHFFFAOYSA-N 2 1 354.495 -0.034 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001351502226 852056731 /nfs/dbraw/zinc/05/67/31/852056731.db2.gz SBVASGAHUYQGDF-BMFZPTHFSA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001351502229 852056433 /nfs/dbraw/zinc/05/64/33/852056433.db2.gz SBVASGAHUYQGDF-CWRNSKLLSA-N 2 1 352.479 -0.188 20 0 FBADMP [NH3+]CC1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOCC1 ZINC001351539487 852058499 /nfs/dbraw/zinc/05/84/99/852058499.db2.gz OXSHHUGLCLAOLL-UHFFFAOYSA-N 2 1 356.467 -0.325 20 0 FBADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001351570891 852062271 /nfs/dbraw/zinc/06/22/71/852062271.db2.gz PZVCKWTYVCZWCC-KGLIPLIRSA-N 2 1 358.508 -0.590 20 0 FBADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001351570891 852062262 /nfs/dbraw/zinc/06/22/62/852062262.db2.gz PZVCKWTYVCZWCC-KGLIPLIRSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001351570891 852062254 /nfs/dbraw/zinc/06/22/54/852062254.db2.gz PZVCKWTYVCZWCC-KGLIPLIRSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001351570891 852062249 /nfs/dbraw/zinc/06/22/49/852062249.db2.gz PZVCKWTYVCZWCC-KGLIPLIRSA-N 2 1 358.508 -0.590 20 0 FBADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001351570891 852062240 /nfs/dbraw/zinc/06/22/40/852062240.db2.gz PZVCKWTYVCZWCC-KGLIPLIRSA-N 2 1 358.508 -0.590 20 0 FBADMP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001351801988 852077922 /nfs/dbraw/zinc/07/79/22/852077922.db2.gz UJHGEKMLKXTHTO-UHFFFAOYSA-N 2 1 372.535 -0.008 20 0 FBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001351986737 852088598 /nfs/dbraw/zinc/08/85/98/852088598.db2.gz KOEREBIXIRXHBA-UHFFFAOYSA-N 2 1 355.483 -0.705 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001352760273 852136202 /nfs/dbraw/zinc/13/62/02/852136202.db2.gz ITVYHJFEIJBCOH-KBPBESRZSA-N 2 1 355.435 -0.519 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001352760274 852135599 /nfs/dbraw/zinc/13/55/99/852135599.db2.gz ITVYHJFEIJBCOH-OKILXGFUSA-N 2 1 355.435 -0.519 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001352760274 852135589 /nfs/dbraw/zinc/13/55/89/852135589.db2.gz ITVYHJFEIJBCOH-OKILXGFUSA-N 2 1 355.435 -0.519 20 0 FBADMP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001352760275 852135960 /nfs/dbraw/zinc/13/59/60/852135960.db2.gz ITVYHJFEIJBCOH-ZIAGYGMSSA-N 2 1 355.435 -0.519 20 0 FBADMP OC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001352916184 852150389 /nfs/dbraw/zinc/15/03/89/852150389.db2.gz HOGJHKPHLAPIAN-WNRNVDISSA-N 2 1 360.495 -0.867 20 0 FBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001353064471 852164783 /nfs/dbraw/zinc/16/47/83/852164783.db2.gz UHSASEULRDBFIF-XHSDSOJGSA-N 2 1 374.551 -0.235 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001353071104 852166064 /nfs/dbraw/zinc/16/60/64/852166064.db2.gz GYPCURQEXVRMLS-INIZCTEOSA-N 2 1 352.479 -0.138 20 0 FBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001353071106 852165992 /nfs/dbraw/zinc/16/59/92/852165992.db2.gz GYPCURQEXVRMLS-MRXNPFEDSA-N 2 1 352.479 -0.138 20 0 FBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@H+]1C ZINC001353121252 852170561 /nfs/dbraw/zinc/17/05/61/852170561.db2.gz IFPPRQHLRDCPNZ-CABCVRRESA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@H+]1C ZINC001353121253 852170567 /nfs/dbraw/zinc/17/05/67/852170567.db2.gz IFPPRQHLRDCPNZ-GJZGRUSLSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@H+]1C ZINC001353121254 852170083 /nfs/dbraw/zinc/17/00/83/852170083.db2.gz IFPPRQHLRDCPNZ-HUUCEWRRSA-N 2 1 352.479 -0.044 20 0 FBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@H+]1C ZINC001353121255 852170237 /nfs/dbraw/zinc/17/02/37/852170237.db2.gz IFPPRQHLRDCPNZ-LSDHHAIUSA-N 2 1 352.479 -0.044 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)n1C ZINC001353245844 852177896 /nfs/dbraw/zinc/17/78/96/852177896.db2.gz NSVZAZJFGPTNJD-GFCCVEGCSA-N 2 1 350.467 -0.003 20 0 FBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)n1C ZINC001353245845 852178067 /nfs/dbraw/zinc/17/80/67/852178067.db2.gz NSVZAZJFGPTNJD-LBPRGKRZSA-N 2 1 350.467 -0.003 20 0 FBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCO1 ZINC001353248437 852178083 /nfs/dbraw/zinc/17/80/83/852178083.db2.gz XLTDPDNPKSPNIN-RLFYNMQTSA-N 2 1 352.479 -0.329 20 0 FBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCO1 ZINC001353248440 852177942 /nfs/dbraw/zinc/17/79/42/852177942.db2.gz XLTDPDNPKSPNIN-RVKKMQEKSA-N 2 1 352.479 -0.329 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353308965 852181440 /nfs/dbraw/zinc/18/14/40/852181440.db2.gz ATFHANUFXPWNHK-HNNXBMFYSA-N 2 1 354.499 -0.867 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353308971 852181363 /nfs/dbraw/zinc/18/13/63/852181363.db2.gz ATFHANUFXPWNHK-OAHLLOKOSA-N 2 1 354.499 -0.867 20 0 FBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001353309469 852181349 /nfs/dbraw/zinc/18/13/49/852181349.db2.gz KRQJEHGLWJDWRS-KBUPBQIOSA-N 2 1 350.463 -0.401 20 0 FBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001353331229 852182744 /nfs/dbraw/zinc/18/27/44/852182744.db2.gz XUMZDUJEWAJVDN-DGADGQDISA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001353331229 852182740 /nfs/dbraw/zinc/18/27/40/852182740.db2.gz XUMZDUJEWAJVDN-DGADGQDISA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC001353331231 852182491 /nfs/dbraw/zinc/18/24/91/852182491.db2.gz XUMZDUJEWAJVDN-DGXTUMSLSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001353331233 852182630 /nfs/dbraw/zinc/18/26/30/852182630.db2.gz XUMZDUJEWAJVDN-NPJQDHAYSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001353331233 852182622 /nfs/dbraw/zinc/18/26/22/852182622.db2.gz XUMZDUJEWAJVDN-NPJQDHAYSA-N 2 1 352.479 -0.060 20 0 FBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC001353331234 852182729 /nfs/dbraw/zinc/18/27/29/852182729.db2.gz XUMZDUJEWAJVDN-SUJAAXHWSA-N 2 1 352.479 -0.060 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCC[NH+]1CCSCC1)C2 ZINC001353338928 852182335 /nfs/dbraw/zinc/18/23/35/852182335.db2.gz JYYAHCNBHOQVJF-ZENOOKHLSA-N 2 1 356.492 -0.043 20 0 FBADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353459932 852188055 /nfs/dbraw/zinc/18/80/55/852188055.db2.gz PEUJHZMFFSYNSU-RDJZCZTQSA-N 2 1 351.472 -0.001 20 0 FBADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1)N1CCCC1 ZINC001353469152 852187717 /nfs/dbraw/zinc/18/77/17/852187717.db2.gz OTHHAKSPDOUDNA-GOSISDBHSA-N 2 1 352.479 -0.352 20 0 FBADMP O=C(C[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1)N1CCCC1 ZINC001353469152 852187713 /nfs/dbraw/zinc/18/77/13/852187713.db2.gz OTHHAKSPDOUDNA-GOSISDBHSA-N 2 1 352.479 -0.352 20 0 FBADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1)N1CCCC1 ZINC001353469154 852188274 /nfs/dbraw/zinc/18/82/74/852188274.db2.gz OTHHAKSPDOUDNA-SFHVURJKSA-N 2 1 352.479 -0.352 20 0 FBADMP O=C(C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1)N1CCCC1 ZINC001353469154 852188268 /nfs/dbraw/zinc/18/82/68/852188268.db2.gz OTHHAKSPDOUDNA-SFHVURJKSA-N 2 1 352.479 -0.352 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475880 852188185 /nfs/dbraw/zinc/18/81/85/852188185.db2.gz MGRITKZLRFFBQI-KBPBESRZSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475880 852188174 /nfs/dbraw/zinc/18/81/74/852188174.db2.gz MGRITKZLRFFBQI-KBPBESRZSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475881 852188319 /nfs/dbraw/zinc/18/83/19/852188319.db2.gz MGRITKZLRFFBQI-KGLIPLIRSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475881 852188313 /nfs/dbraw/zinc/18/83/13/852188313.db2.gz MGRITKZLRFFBQI-KGLIPLIRSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475882 852187858 /nfs/dbraw/zinc/18/78/58/852187858.db2.gz MGRITKZLRFFBQI-UONOGXRCSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475882 852187850 /nfs/dbraw/zinc/18/78/50/852187850.db2.gz MGRITKZLRFFBQI-UONOGXRCSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475883 852187906 /nfs/dbraw/zinc/18/79/06/852187906.db2.gz MGRITKZLRFFBQI-ZIAGYGMSSA-N 2 1 354.451 -0.620 20 0 FBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001353475883 852187895 /nfs/dbraw/zinc/18/78/95/852187895.db2.gz MGRITKZLRFFBQI-ZIAGYGMSSA-N 2 1 354.451 -0.620 20 0 FBADMP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353506731 852189300 /nfs/dbraw/zinc/18/93/00/852189300.db2.gz CJQWURBJTIUMQC-INIZCTEOSA-N 2 1 357.499 -0.600 20 0 FBADMP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353506732 852188913 /nfs/dbraw/zinc/18/89/13/852188913.db2.gz CJQWURBJTIUMQC-MRXNPFEDSA-N 2 1 357.499 -0.600 20 0 FBADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001353527964 852190137 /nfs/dbraw/zinc/19/01/37/852190137.db2.gz MUQFGMUSMRMWCS-HNNXBMFYSA-N 2 1 352.483 -0.177 20 0 FBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001353527966 852190532 /nfs/dbraw/zinc/19/05/32/852190532.db2.gz MUQFGMUSMRMWCS-OAHLLOKOSA-N 2 1 352.483 -0.177 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548241 852190276 /nfs/dbraw/zinc/19/02/76/852190276.db2.gz HGJNYSYTPRZKED-GDBMZVCRSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548241 852190269 /nfs/dbraw/zinc/19/02/69/852190269.db2.gz HGJNYSYTPRZKED-GDBMZVCRSA-N 2 1 351.495 -0.532 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548242 852190037 /nfs/dbraw/zinc/19/00/37/852190037.db2.gz HGJNYSYTPRZKED-GOEBONIOSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548242 852190026 /nfs/dbraw/zinc/19/00/26/852190026.db2.gz HGJNYSYTPRZKED-GOEBONIOSA-N 2 1 351.495 -0.532 20 0 FBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548243 852190437 /nfs/dbraw/zinc/19/04/37/852190437.db2.gz HGJNYSYTPRZKED-HOCLYGCPSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548243 852190434 /nfs/dbraw/zinc/19/04/34/852190434.db2.gz HGJNYSYTPRZKED-HOCLYGCPSA-N 2 1 351.495 -0.532 20 0 FBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548244 852190508 /nfs/dbraw/zinc/19/05/08/852190508.db2.gz HGJNYSYTPRZKED-ZBFHGGJFSA-N 2 1 351.495 -0.532 20 0 FBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548244 852190504 /nfs/dbraw/zinc/19/05/04/852190504.db2.gz HGJNYSYTPRZKED-ZBFHGGJFSA-N 2 1 351.495 -0.532 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353747919 852197216 /nfs/dbraw/zinc/19/72/16/852197216.db2.gz AKKHQIDDKFRTFF-AWEZNQCLSA-N 2 1 352.479 -0.377 20 0 FBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353747920 852197290 /nfs/dbraw/zinc/19/72/90/852197290.db2.gz AKKHQIDDKFRTFF-CQSZACIVSA-N 2 1 352.479 -0.377 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001353788392 852198324 /nfs/dbraw/zinc/19/83/24/852198324.db2.gz IRIKRJGEFHMASH-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001353788392 852198320 /nfs/dbraw/zinc/19/83/20/852198320.db2.gz IRIKRJGEFHMASH-LVQVYYBASA-N 2 1 352.479 -0.188 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC001353834371 852200843 /nfs/dbraw/zinc/20/08/43/852200843.db2.gz BJQYJCVBXKJQID-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC001353834371 852200839 /nfs/dbraw/zinc/20/08/39/852200839.db2.gz BJQYJCVBXKJQID-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC001353834371 852200832 /nfs/dbraw/zinc/20/08/32/852200832.db2.gz BJQYJCVBXKJQID-QKPAOTATSA-N 2 1 352.479 -0.045 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001354868612 852244902 /nfs/dbraw/zinc/24/49/02/852244902.db2.gz YBLMUYCKJMVXSL-BZUAXINKSA-N 2 1 354.495 -0.131 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001354868613 852244793 /nfs/dbraw/zinc/24/47/93/852244793.db2.gz YBLMUYCKJMVXSL-OWCLPIDISA-N 2 1 354.495 -0.131 20 0 FBADMP COC1(OC)CCN(CCC[N@H+]2CCC(OC)(OC)[C@@H](O)C2)C[C@H]1O ZINC001354888495 852246056 /nfs/dbraw/zinc/24/60/56/852246056.db2.gz OVVBFVSLZWDMRC-GASCZTMLSA-N 2 1 362.467 -0.512 20 0 FBADMP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH2+]CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001354906241 852246812 /nfs/dbraw/zinc/24/68/12/852246812.db2.gz RSTGJPPGGDUFOE-HOTGVXAUSA-N 3 1 351.495 -0.469 20 0 FBADMP C[C@@]1(C(=O)N2CC[NH2+]CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC001354917341 852248300 /nfs/dbraw/zinc/24/83/00/852248300.db2.gz PMTKBSVUVYRZCI-ROUUACIJSA-N 3 1 351.495 -0.469 20 0 FBADMP C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001356368821 852301971 /nfs/dbraw/zinc/30/19/71/852301971.db2.gz CPTYOXOSPGSNSV-GDBMZVCRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001356368821 852301960 /nfs/dbraw/zinc/30/19/60/852301960.db2.gz CPTYOXOSPGSNSV-GDBMZVCRSA-N 2 1 354.495 -0.157 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001356410959 852307881 /nfs/dbraw/zinc/30/78/81/852307881.db2.gz WUHCQPRWNSGZSS-ARFHVFGLSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001356410962 852308603 /nfs/dbraw/zinc/30/86/03/852308603.db2.gz WUHCQPRWNSGZSS-HRCADAONSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001356410965 852308057 /nfs/dbraw/zinc/30/80/57/852308057.db2.gz WUHCQPRWNSGZSS-JYJNAYRXSA-N 2 1 352.479 -0.546 20 0 FBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001356410969 852308004 /nfs/dbraw/zinc/30/80/04/852308004.db2.gz WUHCQPRWNSGZSS-XHSDSOJGSA-N 2 1 352.479 -0.546 20 0 FBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001356439278 852309524 /nfs/dbraw/zinc/30/95/24/852309524.db2.gz SDTIZMBPRGXKCC-CVEARBPZSA-N 2 1 353.511 -0.236 20 0 FBADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001356569384 852313778 /nfs/dbraw/zinc/31/37/78/852313778.db2.gz MSKWISALPMTRGF-VBQJREDUSA-N 2 1 356.467 -0.123 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001356609547 852315639 /nfs/dbraw/zinc/31/56/39/852315639.db2.gz QMBGMAGCQRXGPN-CABCVRRESA-N 2 1 355.483 -0.441 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001356609548 852315784 /nfs/dbraw/zinc/31/57/84/852315784.db2.gz QMBGMAGCQRXGPN-GJZGRUSLSA-N 2 1 355.483 -0.441 20 0 FBADMP COC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001356609550 852315916 /nfs/dbraw/zinc/31/59/16/852315916.db2.gz QMBGMAGCQRXGPN-HUUCEWRRSA-N 2 1 355.483 -0.441 20 0 FBADMP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001356609552 852315534 /nfs/dbraw/zinc/31/55/34/852315534.db2.gz QMBGMAGCQRXGPN-LSDHHAIUSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001356630361 852315430 /nfs/dbraw/zinc/31/54/30/852315430.db2.gz XWVISINEJPDWTG-HNNXBMFYSA-N 2 1 355.483 -0.441 20 0 FBADMP COCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001356630363 852315715 /nfs/dbraw/zinc/31/57/15/852315715.db2.gz XWVISINEJPDWTG-OAHLLOKOSA-N 2 1 355.483 -0.441 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357150351 852328177 /nfs/dbraw/zinc/32/81/77/852328177.db2.gz GISXODHDQBXUMT-CVEARBPZSA-N 2 1 352.479 -0.722 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357150362 852328440 /nfs/dbraw/zinc/32/84/40/852328440.db2.gz GISXODHDQBXUMT-HOTGVXAUSA-N 2 1 352.479 -0.722 20 0 FBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001357150363 852328216 /nfs/dbraw/zinc/32/82/16/852328216.db2.gz GISXODHDQBXUMT-HZPDHXFCSA-N 2 1 352.479 -0.722 20 0 FBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001357150365 852328694 /nfs/dbraw/zinc/32/86/94/852328694.db2.gz GISXODHDQBXUMT-JKSUJKDBSA-N 2 1 352.479 -0.722 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001357166665 852328779 /nfs/dbraw/zinc/32/87/79/852328779.db2.gz OLQAXPIDWUGSIB-HZMVEIRTSA-N 2 1 351.495 -0.086 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001357166670 852328849 /nfs/dbraw/zinc/32/88/49/852328849.db2.gz OLQAXPIDWUGSIB-NXOAAHMSSA-N 2 1 351.495 -0.086 20 0 FBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001357166673 852328142 /nfs/dbraw/zinc/32/81/42/852328142.db2.gz OLQAXPIDWUGSIB-QAETUUGQSA-N 2 1 351.495 -0.086 20 0 FBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001357166675 852328619 /nfs/dbraw/zinc/32/86/19/852328619.db2.gz OLQAXPIDWUGSIB-YVSFHVDLSA-N 2 1 351.495 -0.086 20 0 FBADMP CN(C)S(=O)(=O)N[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC001357210368 852329721 /nfs/dbraw/zinc/32/97/21/852329721.db2.gz NZTHUXGAJLSLAG-CVEARBPZSA-N 2 1 362.540 -0.013 20 0 FBADMP CN(C)S(=O)(=O)N[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC001357210373 852330123 /nfs/dbraw/zinc/33/01/23/852330123.db2.gz NZTHUXGAJLSLAG-HOTGVXAUSA-N 2 1 362.540 -0.013 20 0 FBADMP CN(C)S(=O)(=O)N[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC001357210374 852329891 /nfs/dbraw/zinc/32/98/91/852329891.db2.gz NZTHUXGAJLSLAG-HZPDHXFCSA-N 2 1 362.540 -0.013 20 0 FBADMP CN(C)S(=O)(=O)N[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC001357210375 852330206 /nfs/dbraw/zinc/33/02/06/852330206.db2.gz NZTHUXGAJLSLAG-JKSUJKDBSA-N 2 1 362.540 -0.013 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001357262267 852331148 /nfs/dbraw/zinc/33/11/48/852331148.db2.gz RGWRHDHMIOYFMJ-LHLGERLTSA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001357262267 852331145 /nfs/dbraw/zinc/33/11/45/852331145.db2.gz RGWRHDHMIOYFMJ-LHLGERLTSA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001357262270 852331194 /nfs/dbraw/zinc/33/11/94/852331194.db2.gz RGWRHDHMIOYFMJ-RBUCKAEESA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001357262270 852331185 /nfs/dbraw/zinc/33/11/85/852331185.db2.gz RGWRHDHMIOYFMJ-RBUCKAEESA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001357262272 852330898 /nfs/dbraw/zinc/33/08/98/852330898.db2.gz RGWRHDHMIOYFMJ-REVBEMBVSA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C2 ZINC001357262272 852330888 /nfs/dbraw/zinc/33/08/88/852330888.db2.gz RGWRHDHMIOYFMJ-REVBEMBVSA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001357262274 852330999 /nfs/dbraw/zinc/33/09/99/852330999.db2.gz RGWRHDHMIOYFMJ-RFJMFJJWSA-N 2 1 354.451 -0.373 20 0 FBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C2 ZINC001357262274 852330990 /nfs/dbraw/zinc/33/09/90/852330990.db2.gz RGWRHDHMIOYFMJ-RFJMFJJWSA-N 2 1 354.451 -0.373 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001357363109 852333263 /nfs/dbraw/zinc/33/32/63/852333263.db2.gz WHVVCWCPPHHHBE-BMFZPTHFSA-N 2 1 352.479 -0.140 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001357363111 852333398 /nfs/dbraw/zinc/33/33/98/852333398.db2.gz WHVVCWCPPHHHBE-FVQBIDKESA-N 2 1 352.479 -0.140 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001357363113 852333949 /nfs/dbraw/zinc/33/39/49/852333949.db2.gz WHVVCWCPPHHHBE-KBMXLJTQSA-N 2 1 352.479 -0.140 20 0 FBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001357363114 852333848 /nfs/dbraw/zinc/33/38/48/852333848.db2.gz WHVVCWCPPHHHBE-VNQPRFMTSA-N 2 1 352.479 -0.140 20 0 FBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391698 852334477 /nfs/dbraw/zinc/33/44/77/852334477.db2.gz LRNUZEGLCQUSSC-HNNXBMFYSA-N 2 1 350.467 -0.096 20 0 FBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391699 852334997 /nfs/dbraw/zinc/33/49/97/852334997.db2.gz LRNUZEGLCQUSSC-OAHLLOKOSA-N 2 1 350.467 -0.096 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC001357587942 852344238 /nfs/dbraw/zinc/34/42/38/852344238.db2.gz NBDMFROFHXFTND-CXAGYDPISA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC001357587942 852344233 /nfs/dbraw/zinc/34/42/33/852344233.db2.gz NBDMFROFHXFTND-CXAGYDPISA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC001357587946 852344447 /nfs/dbraw/zinc/34/44/47/852344447.db2.gz NBDMFROFHXFTND-DYVFJYSZSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC001357587946 852344435 /nfs/dbraw/zinc/34/44/35/852344435.db2.gz NBDMFROFHXFTND-DYVFJYSZSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC001357587947 852344592 /nfs/dbraw/zinc/34/45/92/852344592.db2.gz NBDMFROFHXFTND-GUYCJALGSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC001357587947 852344581 /nfs/dbraw/zinc/34/45/81/852344581.db2.gz NBDMFROFHXFTND-GUYCJALGSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC001357587948 852344116 /nfs/dbraw/zinc/34/41/16/852344116.db2.gz NBDMFROFHXFTND-SUMWQHHRSA-N 2 1 352.435 -0.019 20 0 FBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC001357587948 852344109 /nfs/dbraw/zinc/34/41/09/852344109.db2.gz NBDMFROFHXFTND-SUMWQHHRSA-N 2 1 352.435 -0.019 20 0 FBADMP O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001357589625 852343950 /nfs/dbraw/zinc/34/39/50/852343950.db2.gz CEHOHRQHULDKOB-BFHYXJOUSA-N 2 1 352.435 -0.868 20 0 FBADMP O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001357589626 852343882 /nfs/dbraw/zinc/34/38/82/852343882.db2.gz CEHOHRQHULDKOB-MJBXVCDLSA-N 2 1 352.435 -0.868 20 0 FBADMP C[C@H]1[NH2+]CCn2c(C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC001357631304 852344783 /nfs/dbraw/zinc/34/47/83/852344783.db2.gz XQDOCDQVPYZOJU-GFCCVEGCSA-N 2 1 367.475 -0.788 20 0 FBADMP C[C@@H]1[NH2+]CCn2c(C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC001357631305 852344204 /nfs/dbraw/zinc/34/42/04/852344204.db2.gz XQDOCDQVPYZOJU-LBPRGKRZSA-N 2 1 367.475 -0.788 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001357868145 852349392 /nfs/dbraw/zinc/34/93/92/852349392.db2.gz GTVFSJYOPGCQGM-ONILBQQISA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001357868145 852349380 /nfs/dbraw/zinc/34/93/80/852349380.db2.gz GTVFSJYOPGCQGM-ONILBQQISA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868145 852349372 /nfs/dbraw/zinc/34/93/72/852349372.db2.gz GTVFSJYOPGCQGM-ONILBQQISA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868145 852349366 /nfs/dbraw/zinc/34/93/66/852349366.db2.gz GTVFSJYOPGCQGM-ONILBQQISA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001357868153 852349623 /nfs/dbraw/zinc/34/96/23/852349623.db2.gz GTVFSJYOPGCQGM-WRANKLGHSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001357868153 852349612 /nfs/dbraw/zinc/34/96/12/852349612.db2.gz GTVFSJYOPGCQGM-WRANKLGHSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868153 852349601 /nfs/dbraw/zinc/34/96/01/852349601.db2.gz GTVFSJYOPGCQGM-WRANKLGHSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868153 852349592 /nfs/dbraw/zinc/34/95/92/852349592.db2.gz GTVFSJYOPGCQGM-WRANKLGHSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001357868154 852349169 /nfs/dbraw/zinc/34/91/69/852349169.db2.gz GTVFSJYOPGCQGM-YEHCYSSBSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001357868154 852349158 /nfs/dbraw/zinc/34/91/58/852349158.db2.gz GTVFSJYOPGCQGM-YEHCYSSBSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868154 852349147 /nfs/dbraw/zinc/34/91/47/852349147.db2.gz GTVFSJYOPGCQGM-YEHCYSSBSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868154 852349138 /nfs/dbraw/zinc/34/91/38/852349138.db2.gz GTVFSJYOPGCQGM-YEHCYSSBSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001357868156 852349237 /nfs/dbraw/zinc/34/92/37/852349237.db2.gz GTVFSJYOPGCQGM-YNOVSXENSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[NH+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001357868156 852349233 /nfs/dbraw/zinc/34/92/33/852349233.db2.gz GTVFSJYOPGCQGM-YNOVSXENSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868156 852349224 /nfs/dbraw/zinc/34/92/24/852349224.db2.gz GTVFSJYOPGCQGM-YNOVSXENSA-N 2 1 352.479 -0.164 20 0 FBADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001357868156 852349216 /nfs/dbraw/zinc/34/92/16/852349216.db2.gz GTVFSJYOPGCQGM-YNOVSXENSA-N 2 1 352.479 -0.164 20 0 FBADMP CC(C)C[NH2+]CC(=O)N1CC[NH2+]CCN(C(=O)C[NH2+]CC(C)C)CC1 ZINC001358182796 852354137 /nfs/dbraw/zinc/35/41/37/852354137.db2.gz DLYDGNIVSCCGKM-UHFFFAOYSA-N 3 1 355.527 -0.262 20 0 FBADMP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001358322251 852356926 /nfs/dbraw/zinc/35/69/26/852356926.db2.gz DGELWZJBASFSQF-CYBMUJFWSA-N 2 1 352.439 -0.060 20 0 FBADMP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001358322252 852357318 /nfs/dbraw/zinc/35/73/18/852357318.db2.gz DGELWZJBASFSQF-ZDUSSCGKSA-N 2 1 352.439 -0.060 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC001358666429 852363975 /nfs/dbraw/zinc/36/39/75/852363975.db2.gz SHUCMVHYEKIQHW-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC001358666429 852363968 /nfs/dbraw/zinc/36/39/68/852363968.db2.gz SHUCMVHYEKIQHW-HUUCEWRRSA-N 2 1 352.479 -0.186 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001358740189 852367616 /nfs/dbraw/zinc/36/76/16/852367616.db2.gz RZOPOAWNCZQEEY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001358740189 852367607 /nfs/dbraw/zinc/36/76/07/852367607.db2.gz RZOPOAWNCZQEEY-GDBMZVCRSA-N 2 1 352.479 -0.282 20 0 FBADMP